Daily Papers

Sequence-to-sequence neural network models for generation of conversational responses tend to generate safe, commonplace responses (e.g., "I don't know") regardless of the input. We suggest that the traditional objective function, i.e., the likelihood of output (response) given input (message) is unsuited to response generation tasks. Instead we propose using Maximum Mutual Information (MMI) as the objective function in neural models. Experimental results demonstrate that the proposed MMI models produce more diverse, interesting, and appropriate responses, yielding substantive gains in BLEU scores on two conversational datasets and in human evaluations.

By pretraining on trillions of tokens, an LLM gains the capability of text generation. However, to enhance its utility and reduce potential harm, SFT and alignment are applied sequentially to the pretrained model. Due to the differing nature and objective functions of SFT and alignment, catastrophic forgetting has become a significant issue. To address this, we introduce Unified Fine-Tuning (UFT), which integrates SFT and alignment into a single training stage using the same objective and loss functions through an implicit reward function. Our experimental results demonstrate that UFT outperforms SFT on instruction-tuning data alone. Moreover, when combining instruction-tuning data with alignment data, UFT effectively prevents catastrophic forgetting across these two stages and shows a clear advantage over sequentially applying SFT and alignment. This is evident in the significant improvements observed in the ifeval task for instruction-following and the truthful-qa task for factuality. The proposed general fine-tuning framework UFT establishes an effective and efficient pretraining-UFT paradigm for LLM training.

Event cameras are novel vision sensors that output pixel-level brightness changes ("events") instead of traditional video frames. These asynchronous sensors offer several advantages over traditional cameras, such as, high temporal resolution, very high dynamic range, and no motion blur. To unlock the potential of such sensors, motion compensation methods have been recently proposed. We present a collection and taxonomy of twenty two objective functions to analyze event alignment in motion compensation approaches (Fig. 1). We call them Focus Loss Functions since they have strong connections with functions used in traditional shape-from-focus applications. The proposed loss functions allow bringing mature computer vision tools to the realm of event cameras. We compare the accuracy and runtime performance of all loss functions on a publicly available dataset, and conclude that the variance, the gradient and the Laplacian magnitudes are among the best loss functions. The applicability of the loss functions is shown on multiple tasks: rotational motion, depth and optical flow estimation. The proposed focus loss functions allow to unlock the outstanding properties of event cameras.

Generalized self-concordance is a key property present in the objective function of many important learning problems. We establish the convergence rate of a simple Frank-Wolfe variant that uses the open-loop step size strategy gamma_t = 2/(t+2), obtaining a O(1/t) convergence rate for this class of functions in terms of primal gap and Frank-Wolfe gap, where t is the iteration count. This avoids the use of second-order information or the need to estimate local smoothness parameters of previous work. We also show improved convergence rates for various common cases, e.g., when the feasible region under consideration is uniformly convex or polyhedral.

Time Series Forecasting has been an active area of research due to its many applications ranging from network usage prediction, resource allocation, anomaly detection, and predictive maintenance. Numerous publications published in the last five years have proposed diverse sets of objective loss functions to address cases such as biased data, long-term forecasting, multicollinear features, etc. In this paper, we have summarized 14 well-known regression loss functions commonly used for time series forecasting and listed out the circumstances where their application can aid in faster and better model convergence. We have also demonstrated how certain categories of loss functions perform well across all data sets and can be considered as a baseline objective function in circumstances where the distribution of the data is unknown. Our code is available at GitHub: https://github.com/aryan-jadon/Regression-Loss-Functions-in-Time-Series-Forecasting-Tensorflow.

Multi-objective optimization problems are ubiquitous in robotics, e.g., the optimization of a robot manipulation task requires a joint consideration of grasp pose configurations, collisions and joint limits. While some demands can be easily hand-designed, e.g., the smoothness of a trajectory, several task-specific objectives need to be learned from data. This work introduces a method for learning data-driven SE(3) cost functions as diffusion models. Diffusion models can represent highly-expressive multimodal distributions and exhibit proper gradients over the entire space due to their score-matching training objective. Learning costs as diffusion models allows their seamless integration with other costs into a single differentiable objective function, enabling joint gradient-based motion optimization. In this work, we focus on learning SE(3) diffusion models for 6DoF grasping, giving rise to a novel framework for joint grasp and motion optimization without needing to decouple grasp selection from trajectory generation. We evaluate the representation power of our SE(3) diffusion models w.r.t. classical generative models, and we showcase the superior performance of our proposed optimization framework in a series of simulated and real-world robotic manipulation tasks against representative baselines.

We consider a family of algorithms that successively sample and minimize simple stochastic models of the objective function. We show that under reasonable conditions on approximation quality and regularity of the models, any such algorithm drives a natural stationarity measure to zero at the rate O(k^{-1/4}). As a consequence, we obtain the first complexity guarantees for the stochastic proximal point, proximal subgradient, and regularized Gauss-Newton methods for minimizing compositions of convex functions with smooth maps. The guiding principle, underlying the complexity guarantees, is that all algorithms under consideration can be interpreted as approximate descent methods on an implicit smoothing of the problem, given by the Moreau envelope. Specializing to classical circumstances, we obtain the long-sought convergence rate of the stochastic projected gradient method, without batching, for minimizing a smooth function on a closed convex set.

Heavy-tail phenomena in stochastic gradient descent (SGD) have been reported in several empirical studies. Experimental evidence in previous works suggests a strong interplay between the heaviness of the tails and generalization behavior of SGD. To address this empirical phenomena theoretically, several works have made strong topological and statistical assumptions to link the generalization error to heavy tails. Very recently, new generalization bounds have been proven, indicating a non-monotonic relationship between the generalization error and heavy tails, which is more pertinent to the reported empirical observations. While these bounds do not require additional topological assumptions given that SGD can be modeled using a heavy-tailed stochastic differential equation (SDE), they can only apply to simple quadratic problems. In this paper, we build on this line of research and develop generalization bounds for a more general class of objective functions, which includes non-convex functions as well. Our approach is based on developing Wasserstein stability bounds for heavy-tailed SDEs and their discretizations, which we then convert to generalization bounds. Our results do not require any nontrivial assumptions; yet, they shed more light to the empirical observations, thanks to the generality of the loss functions.

Objective functions that optimize deep neural networks play a vital role in creating an enhanced feature representation of the input data. Although cross-entropy-based loss formulations have been extensively used in a variety of supervised deep-learning applications, these methods tend to be less adequate when there is large intra-class variance and low inter-class variance in input data distribution. Deep Metric Learning seeks to develop methods that aim to measure the similarity between data samples by learning a representation function that maps these data samples into a representative embedding space. It leverages carefully designed sampling strategies and loss functions that aid in optimizing the generation of a discriminative embedding space even for distributions having low inter-class and high intra-class variances. In this chapter, we will provide an overview of recent progress in this area and discuss state-of-the-art Deep Metric Learning approaches.

Score distillation sampling (SDS) has emerged as an effective framework in text-driven 3D editing tasks due to its inherent 3D consistency. However, existing SDS-based 3D editing methods suffer from extensive training time and lead to low-quality results, primarily because these methods deviate from the sampling dynamics of diffusion models. In this paper, we propose DreamCatalyst, a novel framework that interprets SDS-based editing as a diffusion reverse process. Our objective function considers the sampling dynamics, thereby making the optimization process of DreamCatalyst an approximation of the diffusion reverse process in editing tasks. DreamCatalyst aims to reduce training time and improve editing quality. DreamCatalyst presents two modes: (1) a faster mode, which edits the NeRF scene in only about 25 minutes, and (2) a high-quality mode, which produces superior results in less than 70 minutes. Specifically, our high-quality mode outperforms current state-of-the-art NeRF editing methods both in terms of speed and quality. See more extensive results on our project page: https://dream-catalyst.github.io.

We consider the general class of time-homogeneous stochastic dynamical systems, both discrete and continuous, and study the problem of learning a representation of the state that faithfully captures its dynamics. This is instrumental to learning the transfer operator or the generator of the system, which in turn can be used for numerous tasks, such as forecasting and interpreting the system dynamics. We show that the search for a good representation can be cast as an optimization problem over neural networks. Our approach is supported by recent results in statistical learning theory, highlighting the role of approximation error and metric distortion in the learning problem. The objective function we propose is associated with projection operators from the representation space to the data space, overcomes metric distortion, and can be empirically estimated from data. In the discrete-time setting, we further derive a relaxed objective function that is differentiable and numerically well-conditioned. We compare our method against state-of-the-art approaches on different datasets, showing better performance across the board.

We address the challenge of exploration in reinforcement learning (RL) when the agent operates in an unknown environment with sparse or no rewards. In this work, we study the maximum entropy exploration problem of two different types. The first type is visitation entropy maximization previously considered by Hazan et al.(2019) in the discounted setting. For this type of exploration, we propose a game-theoretic algorithm that has mathcal{O}(H^3S^2A/varepsilon^2) sample complexity thus improving the varepsilon-dependence upon existing results, where S is a number of states, A is a number of actions, H is an episode length, and varepsilon is a desired accuracy. The second type of entropy we study is the trajectory entropy. This objective function is closely related to the entropy-regularized MDPs, and we propose a simple algorithm that has a sample complexity of order mathcal{O}(poly(S,A,H)/varepsilon). Interestingly, it is the first theoretical result in RL literature that establishes the potential statistical advantage of regularized MDPs for exploration. Finally, we apply developed regularization techniques to reduce sample complexity of visitation entropy maximization to mathcal{O}(H^2SA/varepsilon^2), yielding a statistical separation between maximum entropy exploration and reward-free exploration.

The objective function used in trajectory optimization is often non-convex and can have an infinite set of local optima. In such cases, there are diverse solutions to perform a given task. Although there are a few methods to find multiple solutions for motion planning, they are limited to generating a finite set of solutions. To address this issue, we presents an optimization method that learns an infinite set of solutions in trajectory optimization. In our framework, diverse solutions are obtained by learning latent representations of solutions. Our approach can be interpreted as training a deep generative model of collision-free trajectories for motion planning. The experimental results indicate that the trained model represents an infinite set of homotopic solutions for motion planning problems.

We develop a method for generating causal post-hoc explanations of black-box classifiers based on a learned low-dimensional representation of the data. The explanation is causal in the sense that changing learned latent factors produces a change in the classifier output statistics. To construct these explanations, we design a learning framework that leverages a generative model and information-theoretic measures of causal influence. Our objective function encourages both the generative model to faithfully represent the data distribution and the latent factors to have a large causal influence on the classifier output. Our method learns both global and local explanations, is compatible with any classifier that admits class probabilities and a gradient, and does not require labeled attributes or knowledge of causal structure. Using carefully controlled test cases, we provide intuition that illuminates the function of our objective. We then demonstrate the practical utility of our method on image recognition tasks.

The variational autoencoder (VAE) framework is a popular option for training unsupervised generative models, featuring ease of training and latent representation of data. The objective function of VAE does not guarantee to achieve the latter, however, and failure to do so leads to a frequent failure mode called posterior collapse. Even in successful cases, VAEs often result in low-precision reconstructions and generated samples. The introduction of the KL-divergence weight beta can help steer the model clear of posterior collapse, but its tuning is often a trial-and-error process with no guiding metrics. Here we test the idea of using the total VAE loss of generated samples (generated loss) as the proxy metric for generation quality, the related hypothesis that VAE reconstruction from the mean latent vector tends to be a more typical example of its class than the original, and the idea of exploiting this property by augmenting training data with generated variants (augmented training). The results are mixed, but repeated encoding and decoding indeed result in qualitatively and quantitatively more typical examples from both convolutional and fully-connected MNIST VAEs, suggesting that it may be an inherent property of the VAE framework.

We present an automated and efficient approach for retrieving high-quality CAD models of objects and their poses in a scene captured by a moving RGB-D camera. We first investigate various objective functions to measure similarity between a candidate CAD object model and the available data, and the best objective function appears to be a "render-and-compare" method comparing depth and mask rendering. We thus introduce a fast-search method that approximates an exhaustive search based on this objective function for simultaneously retrieving the object category, a CAD model, and the pose of an object given an approximate 3D bounding box. This method involves a search tree that organizes the CAD models and object properties including object category and pose for fast retrieval and an algorithm inspired by Monte Carlo Tree Search, that efficiently searches this tree. We show that this method retrieves CAD models that fit the real objects very well, with a speed-up factor of 10x to 120x compared to exhaustive search.

In our study, we explore methods for detecting unwanted content lurking in visual datasets. We provide a theoretical analysis demonstrating that a model capable of successfully partitioning visual data can be obtained using only textual data. Based on the analysis, we propose Hassle-Free Textual Training (HFTT), a streamlined method capable of acquiring detectors for unwanted visual content, using only synthetic textual data in conjunction with pre-trained vision-language models. HFTT features an innovative objective function that significantly reduces the necessity for human involvement in data annotation. Furthermore, HFTT employs a clever textual data synthesis method, effectively emulating the integration of unknown visual data distribution into the training process at no extra cost. The unique characteristics of HFTT extend its utility beyond traditional out-of-distribution detection, making it applicable to tasks that address more abstract concepts. We complement our analyses with experiments in out-of-distribution detection and hateful image detection. Our codes are available at https://github.com/Saehyung-Lee/HFTT

Known for efficient computation and easy storage, hashing has been extensively explored in cross-modal retrieval. The majority of current hashing models are predicated on the premise of a direct one-to-one mapping between data points. However, in real practice, data correspondence across modalities may be partially provided. In this research, we introduce an innovative unsupervised hashing technique designed for semi-paired cross-modal retrieval tasks, named Reconstruction Relations Embedded Hashing (RREH). RREH assumes that multi-modal data share a common subspace. For paired data, RREH explores the latent consistent information of heterogeneous modalities by seeking a shared representation. For unpaired data, to effectively capture the latent discriminative features, the high-order relationships between unpaired data and anchors are embedded into the latent subspace, which are computed by efficient linear reconstruction. The anchors are sampled from paired data, which improves the efficiency of hash learning. The RREH trains the underlying features and the binary encodings in a unified framework with high-order reconstruction relations preserved. With the well devised objective function and discrete optimization algorithm, RREH is designed to be scalable, making it suitable for large-scale datasets and facilitating efficient cross-modal retrieval. In the evaluation process, the proposed is tested with partially paired data to establish its superiority over several existing methods.

Explaining deep learning models operating on time series data is crucial in various applications of interest which require interpretable and transparent insights from time series signals. In this work, we investigate this problem from an information theoretic perspective and show that most existing measures of explainability may suffer from trivial solutions and distributional shift issues. To address these issues, we introduce a simple yet practical objective function for time series explainable learning. The design of the objective function builds upon the principle of information bottleneck (IB), and modifies the IB objective function to avoid trivial solutions and distributional shift issues. We further present TimeX++, a novel explanation framework that leverages a parametric network to produce explanation-embedded instances that are both in-distributed and label-preserving. We evaluate TimeX++ on both synthetic and real-world datasets comparing its performance against leading baselines, and validate its practical efficacy through case studies in a real-world environmental application. Quantitative and qualitative evaluations show that TimeX++ outperforms baselines across all datasets, demonstrating a substantial improvement in explanation quality for time series data. The source code is available at https://github.com/zichuan-liu/TimeXplusplus.

Natural Language Processing (NLP) models risk overfitting to specific terms in the training data, thereby reducing their performance, fairness, and generalizability. E.g., neural hate speech detection models are strongly influenced by identity terms like gay, or women, resulting in false positives, severe unintended bias, and lower performance. Most mitigation techniques use lists of identity terms or samples from the target domain during training. However, this approach requires a-priori knowledge and introduces further bias if important terms are neglected. Instead, we propose a knowledge-free Entropy-based Attention Regularization (EAR) to discourage overfitting to training-specific terms. An additional objective function penalizes tokens with low self-attention entropy. We fine-tune BERT via EAR: the resulting model matches or exceeds state-of-the-art performance for hate speech classification and bias metrics on three benchmark corpora in English and Italian. EAR also reveals overfitting terms, i.e., terms most likely to induce bias, to help identify their effect on the model, task, and predictions.

Self-supervised learning (SSL) is rapidly closing the gap with supervised methods on large computer vision benchmarks. A successful approach to SSL is to learn embeddings which are invariant to distortions of the input sample. However, a recurring issue with this approach is the existence of trivial constant solutions. Most current methods avoid such solutions by careful implementation details. We propose an objective function that naturally avoids collapse by measuring the cross-correlation matrix between the outputs of two identical networks fed with distorted versions of a sample, and making it as close to the identity matrix as possible. This causes the embedding vectors of distorted versions of a sample to be similar, while minimizing the redundancy between the components of these vectors. The method is called Barlow Twins, owing to neuroscientist H. Barlow's redundancy-reduction principle applied to a pair of identical networks. Barlow Twins does not require large batches nor asymmetry between the network twins such as a predictor network, gradient stopping, or a moving average on the weight updates. Intriguingly it benefits from very high-dimensional output vectors. Barlow Twins outperforms previous methods on ImageNet for semi-supervised classification in the low-data regime, and is on par with current state of the art for ImageNet classification with a linear classifier head, and for transfer tasks of classification and object detection.

Image clustering is one of the most important computer vision applications, which has been extensively studied in literature. However, current clustering methods mostly suffer from lack of efficiency and scalability when dealing with large-scale and high-dimensional data. In this paper, we propose a new clustering model, called DEeP Embedded RegularIzed ClusTering (DEPICT), which efficiently maps data into a discriminative embedding subspace and precisely predicts cluster assignments. DEPICT generally consists of a multinomial logistic regression function stacked on top of a multi-layer convolutional autoencoder. We define a clustering objective function using relative entropy (KL divergence) minimization, regularized by a prior for the frequency of cluster assignments. An alternating strategy is then derived to optimize the objective by updating parameters and estimating cluster assignments. Furthermore, we employ the reconstruction loss functions in our autoencoder, as a data-dependent regularization term, to prevent the deep embedding function from overfitting. In order to benefit from end-to-end optimization and eliminate the necessity for layer-wise pretraining, we introduce a joint learning framework to minimize the unified clustering and reconstruction loss functions together and train all network layers simultaneously. Experimental results indicate the superiority and faster running time of DEPICT in real-world clustering tasks, where no labeled data is available for hyper-parameter tuning.

Accurately modeling protein 3D structure is essential for the design of functional proteins. An important sub-task of structure modeling is protein side-chain packing: predicting the conformation of side-chains (rotamers) given the protein's backbone structure and amino-acid sequence. Conventional approaches for this task rely on expensive sampling procedures over hand-crafted energy functions and rotamer libraries. Recently, several deep learning methods have been developed to tackle the problem in a data-driven way, albeit with vastly different formulations (from image-to-image translation to directly predicting atomic coordinates). Here, we frame the problem as a joint regression over the side-chains' true degrees of freedom: the dihedral chi angles. We carefully study possible objective functions for this task, while accounting for the underlying symmetries of the task. We propose Holographic Packer (H-Packer), a novel two-stage algorithm for side-chain packing built on top of two light-weight rotationally equivariant neural networks. We evaluate our method on CASP13 and CASP14 targets. H-Packer is computationally efficient and shows favorable performance against conventional physics-based algorithms and is competitive against alternative deep learning solutions.

Properly defining a reward signal to efficiently train a reinforcement learning (RL) agent is a challenging task. Designing balanced objective functions from which a desired behavior can emerge requires expert knowledge, especially for complex environments. Learning rewards from human feedback or using large language models (LLMs) to directly provide rewards are promising alternatives, allowing non-experts to specify goals for the agent. However, black-box reward models make it difficult to debug the reward. In this work, we propose Object-Centric Assessment with Language Models (OCALM) to derive inherently interpretable reward functions for RL agents from natural language task descriptions. OCALM uses the extensive world-knowledge of LLMs while leveraging the object-centric nature common to many environments to derive reward functions focused on relational concepts, providing RL agents with the ability to derive policies from task descriptions.

Zero-shot learning has gained popularity due to its potential to scale recognition models without requiring additional training data. This is usually achieved by associating categories with their semantic information like attributes. However, we believe that the potential offered by this paradigm is not yet fully exploited. In this work, we propose to utilize the structure of the space spanned by the attributes using a set of relations. We devise objective functions to preserve these relations in the embedding space, thereby inducing semanticity to the embedding space. Through extensive experimental evaluation on five benchmark datasets, we demonstrate that inducing semanticity to the embedding space is beneficial for zero-shot learning. The proposed approach outperforms the state-of-the-art on the standard zero-shot setting as well as the more realistic generalized zero-shot setting. We also demonstrate how the proposed approach can be useful for making approximate semantic inferences about an image belonging to a category for which attribute information is not available.

This study addresses the challenge of accurately segmenting 3D Gaussian Splatting from 2D masks. Conventional methods often rely on iterative gradient descent to assign each Gaussian a unique label, leading to lengthy optimization and sub-optimal solutions. Instead, we propose a straightforward yet globally optimal solver for 3D-GS segmentation. The core insight of our method is that, with a reconstructed 3D-GS scene, the rendering of the 2D masks is essentially a linear function with respect to the labels of each Gaussian. As such, the optimal label assignment can be solved via linear programming in closed form. This solution capitalizes on the alpha blending characteristic of the splatting process for single step optimization. By incorporating the background bias in our objective function, our method shows superior robustness in 3D segmentation against noises. Remarkably, our optimization completes within 30 seconds, about 50times faster than the best existing methods. Extensive experiments demonstrate the efficiency and robustness of our method in segmenting various scenes, and its superior performance in downstream tasks such as object removal and inpainting. Demos and code will be available at https://github.com/florinshen/FlashSplat.

Pre-trained Language Models (LMs) exhibit strong zero-shot and in-context learning capabilities; however, their behaviors are often difficult to control. By utilizing Reinforcement Learning from Human Feedback (RLHF), it is possible to fine-tune unsupervised LMs to follow instructions and produce outputs that reflect human preferences. Despite its benefits, RLHF has been shown to potentially harm a language model's reasoning capabilities and introduce artifacts such as hallucinations where the model may fabricate facts. To address this issue we introduce Direct Preference Heads (DPH), a fine-tuning framework that enables LMs to learn human preference signals through an auxiliary reward head without directly affecting the output distribution of the language modeling head. We perform a theoretical analysis of our objective function and find strong ties to Conservative Direct Preference Optimization (cDPO). Finally we evaluate our models on GLUE, RACE, and the GPT4All evaluation suite and demonstrate that our method produces models which achieve higher scores than those fine-tuned with Supervised Fine-Tuning (SFT) or Direct Preference Optimization (DPO) alone.

The aim of this paper is to introduce a new learning procedure for neural networks and to demonstrate that it works well enough on a few small problems to be worth further investigation. The Forward-Forward algorithm replaces the forward and backward passes of backpropagation by two forward passes, one with positive (i.e. real) data and the other with negative data which could be generated by the network itself. Each layer has its own objective function which is simply to have high goodness for positive data and low goodness for negative data. The sum of the squared activities in a layer can be used as the goodness but there are many other possibilities, including minus the sum of the squared activities. If the positive and negative passes could be separated in time, the negative passes could be done offline, which would make the learning much simpler in the positive pass and allow video to be pipelined through the network without ever storing activities or stopping to propagate derivatives.

A generative adversarial network (GAN) has been a representative backbone model in generative artificial intelligence (AI) because of its powerful performance in capturing intricate data-generating processes. However, the GAN training is well-known for its notorious training instability, usually characterized by the occurrence of mode collapse. Through the lens of gradients' variance, this work particularly analyzes the training instability and inefficiency in the presence of mode collapse by linking it to multimodality in the target distribution. To ease the raised training issues from severe multimodality, we introduce a novel GAN training framework that leverages a series of tempered distributions produced via convex interpolation. With our newly developed GAN objective function, the generator can learn all the tempered distributions simultaneously, conceptually resonating with the parallel tempering in Statistics. Our simulation studies demonstrate the superiority of our approach over existing popular training strategies in both image and tabular data synthesis. We theoretically analyze that such significant improvement can arise from reducing the variance of gradient estimates by using the tempered distributions. Finally, we further develop a variant of the proposed framework aimed at generating fair synthetic data which is one of the growing interests in the field of trustworthy AI.

Single image-to-3D generation is pivotal for crafting controllable 3D assets. Given its underconstrained nature, we leverage geometric priors from a 3D novel view generation diffusion model and appearance priors from a 2D image generation method to guide the optimization process. We note that a disparity exists between the training datasets of 2D and 3D diffusion models, leading to their outputs showing marked differences in appearance. Specifically, 2D models tend to deliver more detailed visuals, whereas 3D models produce consistent yet over-smooth results across different views. Hence, we optimize a set of 3D Gaussians using 3D priors in spatial domain to ensure geometric consistency, while exploiting 2D priors in the frequency domain through Fourier transform for higher visual quality. This 2D-3D hybrid Fourier Score Distillation objective function (dubbed hy-FSD), can be integrated into existing 3D generation methods, yielding significant performance improvements. With this technique, we further develop an image-to-3D generation pipeline to create high-quality 3D objects within one minute, named Fourier123. Extensive experiments demonstrate that Fourier123 excels in efficient generation with rapid convergence speed and visual-friendly generation results.

The success of image generative models has enabled us to build methods that can edit images based on text or other user input. However, these methods are bespoke, imprecise, require additional information, or are limited to only 2D image edits. We present GeoDiffuser, a zero-shot optimization-based method that unifies common 2D and 3D image-based object editing capabilities into a single method. Our key insight is to view image editing operations as geometric transformations. We show that these transformations can be directly incorporated into the attention layers in diffusion models to implicitly perform editing operations. Our training-free optimization method uses an objective function that seeks to preserve object style but generate plausible images, for instance with accurate lighting and shadows. It also inpaints disoccluded parts of the image where the object was originally located. Given a natural image and user input, we segment the foreground object using SAM and estimate a corresponding transform which is used by our optimization approach for editing. GeoDiffuser can perform common 2D and 3D edits like object translation, 3D rotation, and removal. We present quantitative results, including a perceptual study, that shows how our approach is better than existing methods. Visit https://ivl.cs.brown.edu/research/geodiffuser.html for more information.

Untrustworthy users can misuse image generators to synthesize high-quality deepfakes and engage in unethical activities. Watermarking deters misuse by marking generated content with a hidden message, enabling its detection using a secret watermarking key. A core security property of watermarking is robustness, which states that an attacker can only evade detection by substantially degrading image quality. Assessing robustness requires designing an adaptive attack for the specific watermarking algorithm. When evaluating watermarking algorithms and their (adaptive) attacks, it is challenging to determine whether an adaptive attack is optimal, i.e., the best possible attack. We solve this problem by defining an objective function and then approach adaptive attacks as an optimization problem. The core idea of our adaptive attacks is to replicate secret watermarking keys locally by creating surrogate keys that are differentiable and can be used to optimize the attack's parameters. We demonstrate for Stable Diffusion models that such an attacker can break all five surveyed watermarking methods at no visible degradation in image quality. Optimizing our attacks is efficient and requires less than 1 GPU hour to reduce the detection accuracy to 6.3% or less. Our findings emphasize the need for more rigorous robustness testing against adaptive, learnable attackers.

Influence maximization (IM) is formulated as selecting a set of initial users from a social network to maximize the expected number of influenced users. Researchers have made great progress in designing various traditional methods, and their theoretical design and performance gain are close to a limit. In the past few years, learning-based IM methods have emerged to achieve stronger generalization ability to unknown graphs than traditional ones. However, the development of learning-based IM methods is still limited by fundamental obstacles, including 1) the difficulty of effectively solving the objective function; 2) the difficulty of characterizing the diversified underlying diffusion patterns; and 3) the difficulty of adapting the solution under various node-centrality-constrained IM variants. To cope with the above challenges, we design a novel framework DeepIM to generatively characterize the latent representation of seed sets, and we propose to learn the diversified information diffusion pattern in a data-driven and end-to-end manner. Finally, we design a novel objective function to infer optimal seed sets under flexible node-centrality-based budget constraints. Extensive analyses are conducted over both synthetic and real-world datasets to demonstrate the overall performance of DeepIM. The code and data are available at: https://github.com/triplej0079/DeepIM.

There has been a recent spike in interest in multi-modal Language and Vision problems. On the language side, most of these models primarily focus on English since most multi-modal datasets are monolingual. We try to bridge this gap with a zero-shot approach for learning multi-modal representations using cross-lingual pre-training on the text side. We present a simple yet practical approach for building a cross-lingual image retrieval model which trains on a monolingual training dataset but can be used in a zero-shot cross-lingual fashion during inference. We also introduce a new objective function which tightens the text embedding clusters by pushing dissimilar texts from each other. Finally, we introduce a new 1K multi-lingual MSCOCO2014 caption test dataset (XTD10) in 7 languages that we collected using a crowdsourcing platform. We use this as the test set for evaluating zero-shot model performance across languages. XTD10 dataset is made publicly available here: https://github.com/adobe-research/Cross-lingual-Test-Dataset-XTD10

This work presents a novel objective function for the unsupervised training of neural network sentence encoders. It exploits signals from paragraph-level discourse coherence to train these models to understand text. Our objective is purely discriminative, allowing us to train models many times faster than was possible under prior methods, and it yields models which perform well in extrinsic evaluations.

This paper studies the problem of embedding very large information networks into low-dimensional vector spaces, which is useful in many tasks such as visualization, node classification, and link prediction. Most existing graph embedding methods do not scale for real world information networks which usually contain millions of nodes. In this paper, we propose a novel network embedding method called the "LINE," which is suitable for arbitrary types of information networks: undirected, directed, and/or weighted. The method optimizes a carefully designed objective function that preserves both the local and global network structures. An edge-sampling algorithm is proposed that addresses the limitation of the classical stochastic gradient descent and improves both the effectiveness and the efficiency of the inference. Empirical experiments prove the effectiveness of the LINE on a variety of real-world information networks, including language networks, social networks, and citation networks. The algorithm is very efficient, which is able to learn the embedding of a network with millions of vertices and billions of edges in a few hours on a typical single machine. The source code of the LINE is available online.

Confusion and forgetting of object classes have been challenges of prime interest in Few-Shot Object Detection (FSOD). To overcome these pitfalls in metric learning based FSOD techniques, we introduce a novel Submodular Mutual Information Learning (SMILe) framework which adopts combinatorial mutual information functions to enforce the creation of tighter and discriminative feature clusters in FSOD. Our proposed approach generalizes to several existing approaches in FSOD, agnostic of the backbone architecture demonstrating elevated performance gains. A paradigm shift from instance based objective functions to combinatorial objectives in SMILe naturally preserves the diversity within an object class resulting in reduced forgetting when subjected to few training examples. Furthermore, the application of mutual information between the already learnt (base) and newly added (novel) objects ensures sufficient separation between base and novel classes, minimizing the effect of class confusion. Experiments on popular FSOD benchmarks, PASCAL-VOC and MS-COCO show that our approach generalizes to State-of-the-Art (SoTA) approaches improving their novel class performance by up to 5.7% (3.3 mAP points) and 5.4% (2.6 mAP points) on the 10-shot setting of VOC (split 3) and 30-shot setting of COCO datasets respectively. Our experiments also demonstrate better retention of base class performance and up to 2x faster convergence over existing approaches agnostic of the underlying architecture.

Using backpropagation to compute gradients of objective functions for optimization has remained a mainstay of machine learning. Backpropagation, or reverse-mode differentiation, is a special case within the general family of automatic differentiation algorithms that also includes the forward mode. We present a method to compute gradients based solely on the directional derivative that one can compute exactly and efficiently via the forward mode. We call this formulation the forward gradient, an unbiased estimate of the gradient that can be evaluated in a single forward run of the function, entirely eliminating the need for backpropagation in gradient descent. We demonstrate forward gradient descent in a range of problems, showing substantial savings in computation and enabling training up to twice as fast in some cases.

Bayesian optimization is an approach to optimizing objective functions that take a long time (minutes or hours) to evaluate. It is best-suited for optimization over continuous domains of less than 20 dimensions, and tolerates stochastic noise in function evaluations. It builds a surrogate for the objective and quantifies the uncertainty in that surrogate using a Bayesian machine learning technique, Gaussian process regression, and then uses an acquisition function defined from this surrogate to decide where to sample. In this tutorial, we describe how Bayesian optimization works, including Gaussian process regression and three common acquisition functions: expected improvement, entropy search, and knowledge gradient. We then discuss more advanced techniques, including running multiple function evaluations in parallel, multi-fidelity and multi-information source optimization, expensive-to-evaluate constraints, random environmental conditions, multi-task Bayesian optimization, and the inclusion of derivative information. We conclude with a discussion of Bayesian optimization software and future research directions in the field. Within our tutorial material we provide a generalization of expected improvement to noisy evaluations, beyond the noise-free setting where it is more commonly applied. This generalization is justified by a formal decision-theoretic argument, standing in contrast to previous ad hoc modifications.

We introduce a novel interactive satellite image change detection algorithm based on active learning. The proposed method is iterative and consists in frugally probing the user (oracle) about the labels of the most critical images, and according to the oracle's annotations, it updates change detection results. First, we consider a probabilistic framework which assigns to each unlabeled sample a relevance measure modeling how critical is that sample when training change detection functions. We obtain these relevance measures by minimizing an objective function mixing diversity, representativity and uncertainty. These criteria when combined allow exploring different data modes and also refining change detections. Then, we further explore the potential of this objective function, by considering a reinforcement learning approach that finds the best combination of diversity, representativity and uncertainty as well as display-sizes through active learning iterations, leading to better generalization as shown through experiments in interactive satellite image change detection.

We propose SceneTex, a novel method for effectively generating high-quality and style-consistent textures for indoor scenes using depth-to-image diffusion priors. Unlike previous methods that either iteratively warp 2D views onto a mesh surface or distillate diffusion latent features without accurate geometric and style cues, SceneTex formulates the texture synthesis task as an optimization problem in the RGB space where style and geometry consistency are properly reflected. At its core, SceneTex proposes a multiresolution texture field to implicitly encode the mesh appearance. We optimize the target texture via a score-distillation-based objective function in respective RGB renderings. To further secure the style consistency across views, we introduce a cross-attention decoder to predict the RGB values by cross-attending to the pre-sampled reference locations in each instance. SceneTex enables various and accurate texture synthesis for 3D-FRONT scenes, demonstrating significant improvements in visual quality and prompt fidelity over the prior texture generation methods.

Pre-trained Programming Language Models (PPLMs) achieved many recent states of the art results for many code-related software engineering tasks. Though some studies use data flow or propose tree-based models that utilize Abstract Syntax Tree (AST), most PPLMs do not fully utilize the rich syntactical information in source code. Still, the input is considered a sequence of tokens. There are two issues; the first is computational inefficiency due to the quadratic relationship between input length and attention complexity. Second, any syntactical information, when needed as an extra input to the current PPLMs, requires the model to be pre-trained from scratch, wasting all the computational resources already used for pre-training the current models. In this work, we propose Named Entity Recognition (NER) adapters, lightweight modules that can be inserted into Transformer blocks to learn type information extracted from the AST. These adapters can be used with current PPLMs such as CodeBERT, GraphCodeBERT, and CodeT5. We train the NER adapters using a novel Token Type Classification objective function (TTC). We insert our proposed work in CodeBERT, building CodeBERTER, and evaluate the performance on two tasks of code refinement and code summarization. CodeBERTER improves the accuracy of code refinement from 16.4 to 17.8 while using 20% of training parameter budget compared to the fully fine-tuning approach, and the BLEU score of code summarization from 14.75 to 15.90 while reducing 77% of training parameters compared to the fully fine-tuning approach.

Large Language Models (LLMs) can be misused to spread online spam and misinformation. Content watermarking deters misuse by hiding a message in model-generated outputs, enabling their detection using a secret watermarking key. Robustness is a core security property, stating that evading detection requires (significant) degradation of the content's quality. Many LLM watermarking methods have been proposed, but robustness is tested only against non-adaptive attackers who lack knowledge of the watermarking method and can find only suboptimal attacks. We formulate the robustness of LLM watermarking as an objective function and propose preference-based optimization to tune adaptive attacks against the specific watermarking method. Our evaluation shows that (i) adaptive attacks substantially outperform non-adaptive baselines. (ii) Even in a non-adaptive setting, adaptive attacks optimized against a few known watermarks remain highly effective when tested against other unseen watermarks, and (iii) optimization-based attacks are practical and require less than seven GPU hours. Our findings underscore the need to test robustness against adaptive attackers.

Model calibration aims to align confidence with prediction correctness. The Cross-Entropy (CE) loss is widely used for calibrator training, which enforces the model to increase confidence on the ground truth class. However, we find the CE loss has intrinsic limitations. For example, for a narrow misclassification, a calibrator trained by the CE loss often produces high confidence on the wrongly predicted class (e.g., a test sample is wrongly classified and its softmax score on the ground truth class is around 0.4), which is undesirable. In this paper, we propose a new post-hoc calibration objective derived from the aim of calibration. Intuitively, the proposed objective function asks that the calibrator decrease model confidence on wrongly predicted samples and increase confidence on correctly predicted samples. Because a sample itself has insufficient ability to indicate correctness, we use its transformed versions (e.g., rotated, greyscaled and color-jittered) during calibrator training. Trained on an in-distribution validation set and tested with isolated, individual test samples, our method achieves competitive calibration performance on both in-distribution and out-of-distribution test sets compared with the state of the art. Further, our analysis points out the difference between our method and commonly used objectives such as CE loss and mean square error loss, where the latters sometimes deviates from the calibration aim.

Self-distillation (SD) is the process of first training a teacher model and then using its predictions to train a student model with the same architecture. Specifically, the student's objective function is big(xi*ell(teacher's predictions, student's predictions) + (1-xi)*ell(given labels, student's predictions)big), where ell is some loss function and xi is some parameter in [0,1]. Empirically, SD has been observed to provide performance gains in several settings. In this paper, we theoretically characterize the effect of SD in two supervised learning problems with noisy labels. We first analyze SD for regularized linear regression and show that in the high label noise regime, the optimal value of xi that minimizes the expected error in estimating the ground truth parameter is surprisingly greater than 1. Empirically, we show that xi > 1 works better than xi leq 1 even with the cross-entropy loss for several classification datasets when 50\% or 30\% of the labels are corrupted. Further, we quantify when optimal SD is better than optimal regularization. Next, we analyze SD in the case of logistic regression for binary classification with random label corruption and quantify the range of label corruption in which the student outperforms the teacher in terms of accuracy. To our knowledge, this is the first result of its kind for the cross-entropy loss.

Offline model-based optimization aims to maximize a black-box objective function with a static dataset of designs and their scores. In this paper, we focus on biological sequence design to maximize some sequence score. A recent approach employs bidirectional learning, combining a forward mapping for exploitation and a backward mapping for constraint, and it relies on the neural tangent kernel (NTK) of an infinitely wide network to build a proxy model. Though effective, the NTK cannot learn features because of its parametrization, and its use prevents the incorporation of powerful pre-trained Language Models (LMs) that can capture the rich biophysical information in millions of biological sequences. We adopt an alternative proxy model, adding a linear head to a pre-trained LM, and propose a linearization scheme. This yields a closed-form loss and also takes into account the biophysical information in the pre-trained LM. In addition, the forward mapping and the backward mapping play different roles and thus deserve different weights during sequence optimization. To achieve this, we train an auxiliary model and leverage its weak supervision signal via a bi-level optimization framework to effectively learn how to balance the two mappings. Further, by extending the framework, we develop the first learning rate adaptation module Adaptive-eta, which is compatible with all gradient-based algorithms for offline model-based optimization. Experimental results on DNA/protein sequence design tasks verify the effectiveness of our algorithm. Our code is available~https://anonymous.4open.science/r/BIB-ICLR2023-Submission/README.md{here.}

Deep Neural Networks (DNNs) are typically trained by backpropagation in a batch learning setting, which requires the entire training data to be made available prior to the learning task. This is not scalable for many real-world scenarios where new data arrives sequentially in a stream form. We aim to address an open challenge of "Online Deep Learning" (ODL) for learning DNNs on the fly in an online setting. Unlike traditional online learning that often optimizes some convex objective function with respect to a shallow model (e.g., a linear/kernel-based hypothesis), ODL is significantly more challenging since the optimization of the DNN objective function is non-convex, and regular backpropagation does not work well in practice, especially for online learning settings. In this paper, we present a new online deep learning framework that attempts to tackle the challenges by learning DNN models of adaptive depth from a sequence of training data in an online learning setting. In particular, we propose a novel Hedge Backpropagation (HBP) method for online updating the parameters of DNN effectively, and validate the efficacy of our method on large-scale data sets, including both stationary and concept drifting scenarios.

The ability to describe images with natural language sentences is the hallmark for image and language understanding. Such a system has wide ranging applications such as annotating images and using natural sentences to search for images.In this project we focus on the task of bidirectional image retrieval: such asystem is capable of retrieving an image based on a sentence (image search) andretrieve sentence based on an image query (image annotation). We present asystem based on a global ranking objective function which uses a combinationof convolutional neural networks (CNN) and multi layer perceptrons (MLP).It takes a pair of image and sentence and processes them in different channels,finally embedding it into a common multimodal vector space. These embeddingsencode abstract semantic information about the two inputs and can be comparedusing traditional information retrieval approaches. For each such pair, the modelreturns a score which is interpretted as a similarity metric. If this score is high,the image and sentence are likely to convey similar meaning, and if the score is low then they are likely not to. The visual input is modeled via deep convolutional neural network. On theother hand we explore three models for the textual module. The first one isbag of words with an MLP. The second one uses n-grams (bigram, trigrams,and a combination of trigram & skip-grams) with an MLP. The third is morespecialized deep network specific for modeling variable length sequences (SSE).We report comparable performance to recent work in the field, even though ouroverall model is simpler. We also show that the training time choice of how wecan generate our negative samples has a significant impact on performance, and can be used to specialize the bi-directional system in one particular task.

Many clustering schemes are defined by optimizing an objective function defined on the partitions of the underlying set of a finite metric space. In this paper, we construct a framework for studying what happens when we instead impose various structural conditions on the clustering schemes, under the general heading of functoriality. Functoriality refers to the idea that one should be able to compare the results of clustering algorithms as one varies the data set, for example by adding points or by applying functions to it. We show that within this framework, one can prove a theorems analogous to one of J. Kleinberg, in which for example one obtains an existence and uniqueness theorem instead of a non-existence result. We obtain a full classification of all clustering schemes satisfying a condition we refer to as excisiveness. The classification can be changed by varying the notion of maps of finite metric spaces. The conditions occur naturally when one considers clustering as the statistical version of the geometric notion of connected components. By varying the degree of functoriality that one requires from the schemes it is possible to construct richer families of clustering schemes that exhibit sensitivity to density.

Knowledge distillation (KD) is the de facto standard for compressing large-scale models into smaller ones. Prior works have explored ever more complex KD strategies involving different objective functions, teacher-ensembles, and weight inheritance. In this work we explore an alternative, yet simple approach -- active data curation as effective distillation for contrastive multimodal pretraining. Our simple online batch selection method, ACID, outperforms strong KD baselines across various model-, data- and compute-configurations. Further, we find such an active data curation strategy to in fact be complementary to standard KD, and can be effectively combined to train highly performant inference-efficient models. Our simple and scalable pretraining framework, ACED, achieves state-of-the-art results across 27 zero-shot classification and retrieval tasks with upto 11% less inference FLOPs. We further demonstrate that our ACED models yield strong vision-encoders for training generative multimodal models in the LiT-Decoder setting, outperforming larger vision encoders for image-captioning and visual question-answering tasks.

Solving parametric partial differential equations (PDEs) and associated PDE-based, inverse problems is a central task in engineering and physics, yet existing neural operator methods struggle with high-dimensional, discontinuous inputs and require large amounts of {\em labeled} training data. We propose the Deep Generative Neural Operator (DGNO), a physics-aware framework that addresses these challenges by leveraging a deep, generative, probabilistic model in combination with a set of lower-dimensional, latent variables that simultaneously encode PDE-inputs and PDE-outputs. This formulation can make use of unlabeled data and significantly improves inverse problem-solving, particularly for discontinuous or discrete-valued input functions. DGNO enforces physics constraints without labeled data by incorporating as virtual observables, weak-form residuals based on compactly supported radial basis functions (CSRBFs). These relax regularity constraints and eliminate higher-order derivatives from the objective function. We also introduce MultiONet, a novel neural operator architecture, which is a more expressive generalization of the popular DeepONet that significantly enhances the approximating power of the proposed model. These innovations make DGNO particularly effective for challenging forward and inverse, PDE-based problems, such as those involving multi-phase media. Numerical experiments demonstrate that DGNO achieves higher accuracy across multiple benchmarks while exhibiting robustness to noise and strong generalization to out-of-distribution cases. Its adaptability, and the ability to handle sparse, noisy data while providing probabilistic estimates, make DGNO a powerful tool for scientific and engineering applications.

Document parsing is essential for analyzing complex document structures and extracting fine-grained information, supporting numerous downstream applications. However, existing methods often require integrating multiple independent models to handle various parsing tasks, leading to high complexity and maintenance overhead. To address this, we propose DocFusion, a lightweight generative model with only 0.28B parameters. It unifies task representations and achieves collaborative training through an improved objective function. Experiments reveal and leverage the mutually beneficial interaction among recognition tasks, and integrating recognition data significantly enhances detection performance. The final results demonstrate that DocFusion achieves state-of-the-art (SOTA) performance across four key tasks.

Scene flow estimation predicts the 3D motion at each point in successive LiDAR scans. This detailed, point-level, information can help autonomous vehicles to accurately predict and understand dynamic changes in their surroundings. Current state-of-the-art methods require annotated data to train scene flow networks and the expense of labeling inherently limits their scalability. Self-supervised approaches can overcome the above limitations, yet face two principal challenges that hinder optimal performance: point distribution imbalance and disregard for object-level motion constraints. In this paper, we propose SeFlow, a self-supervised method that integrates efficient dynamic classification into a learning-based scene flow pipeline. We demonstrate that classifying static and dynamic points helps design targeted objective functions for different motion patterns. We also emphasize the importance of internal cluster consistency and correct object point association to refine the scene flow estimation, in particular on object details. Our real-time capable method achieves state-of-the-art performance on the self-supervised scene flow task on Argoverse 2 and Waymo datasets. The code is open-sourced at https://github.com/KTH-RPL/SeFlow along with trained model weights.

Federated Learning (FL) enables edge devices or clients to collaboratively train machine learning (ML) models without sharing their private data. Much of the existing work in FL focuses on efficiently learning a model for a single task. In this paper, we study simultaneous training of multiple FL models using a common set of clients. The few existing simultaneous training methods employ synchronous aggregation of client updates, which can cause significant delays because large models and/or slow clients can bottleneck the aggregation. On the other hand, a naive asynchronous aggregation is adversely affected by stale client updates. We propose FedAST, a buffered asynchronous federated simultaneous training algorithm that overcomes bottlenecks from slow models and adaptively allocates client resources across heterogeneous tasks. We provide theoretical convergence guarantees for FedAST for smooth non-convex objective functions. Extensive experiments over multiple real-world datasets demonstrate that our proposed method outperforms existing simultaneous FL approaches, achieving up to 46.0% reduction in time to train multiple tasks to completion.

The goal of this paper is to revisit Kernel Principal Component Analysis (KPCA) through dualization of a difference of convex functions. This allows to naturally extend KPCA to multiple objective functions and leads to efficient gradient-based algorithms avoiding the expensive SVD of the Gram matrix. Particularly, we consider objective functions that can be written as Moreau envelopes, demonstrating how to promote robustness and sparsity within the same framework. The proposed method is evaluated on synthetic and real-world benchmarks, showing significant speedup in KPCA training time as well as highlighting the benefits in terms of robustness and sparsity.

Bayesian optimization is a highly efficient approach to optimizing objective functions which are expensive to query. These objectives are typically represented by Gaussian process (GP) surrogate models which are easy to optimize and support exact inference. While standard GP surrogates have been well-established in Bayesian optimization, Bayesian neural networks (BNNs) have recently become practical function approximators, with many benefits over standard GPs such as the ability to naturally handle non-stationarity and learn representations for high-dimensional data. In this paper, we study BNNs as alternatives to standard GP surrogates for optimization. We consider a variety of approximate inference procedures for finite-width BNNs, including high-quality Hamiltonian Monte Carlo, low-cost stochastic MCMC, and heuristics such as deep ensembles. We also consider infinite-width BNNs and partially stochastic models such as deep kernel learning. We evaluate this collection of surrogate models on diverse problems with varying dimensionality, number of objectives, non-stationarity, and discrete and continuous inputs. We find: (i) the ranking of methods is highly problem dependent, suggesting the need for tailored inductive biases; (ii) HMC is the most successful approximate inference procedure for fully stochastic BNNs; (iii) full stochasticity may be unnecessary as deep kernel learning is relatively competitive; (iv) infinite-width BNNs are particularly promising, especially in high dimensions.

Nesterov's accelerated gradient (AG) is a popular technique to optimize objective functions comprising two components: a convex loss and a penalty function. While AG methods perform well for convex penalties, such as the LASSO, convergence issues may arise when it is applied to nonconvex penalties, such as SCAD. A recent proposal generalizes Nesterov's AG method to the nonconvex setting. The proposed algorithm requires specification of several hyperparameters for its practical application. Aside from some general conditions, there is no explicit rule for selecting the hyperparameters, and how different selection can affect convergence of the algorithm. In this article, we propose a hyperparameter setting based on the complexity upper bound to accelerate convergence, and consider the application of this nonconvex AG algorithm to high-dimensional linear and logistic sparse learning problems. We further establish the rate of convergence and present a simple and useful bound to characterize our proposed optimal damping sequence. Simulation studies show that convergence can be made, on average, considerably faster than that of the conventional proximal gradient algorithm. Our experiments also show that the proposed method generally outperforms the current state-of-the-art methods in terms of signal recovery.

Knowledge distillation is classically a procedure where a neural network is trained on the output of another network along with the original targets in order to transfer knowledge between the architectures. The special case of self-distillation, where the network architectures are identical, has been observed to improve generalization accuracy. In this paper, we consider an iterative variant of self-distillation in a kernel regression setting, in which successive steps incorporate both model outputs and the ground-truth targets. This allows us to provide the first theoretical results on the importance of using the weighted ground-truth targets in self-distillation. Our focus is on fitting nonlinear functions to training data with a weighted mean square error objective function suitable for distillation, subject to ell_2 regularization of the model parameters. We show that any such function obtained with self-distillation can be calculated directly as a function of the initial fit, and that infinite distillation steps yields the same optimization problem as the original with amplified regularization. Furthermore, we provide a closed form solution for the optimal choice of weighting parameter at each step, and show how to efficiently estimate this weighting parameter for deep learning and significantly reduce the computational requirements compared to a grid search.

We study the problem of designing models for machine learning tasks defined on sets. In contrast to traditional approach of operating on fixed dimensional vectors, we consider objective functions defined on sets that are invariant to permutations. Such problems are widespread, ranging from estimation of population statistics poczos13aistats, to anomaly detection in piezometer data of embankment dams Jung15Exploration, to cosmology Ntampaka16Dynamical,Ravanbakhsh16ICML1. Our main theorem characterizes the permutation invariant functions and provides a family of functions to which any permutation invariant objective function must belong. This family of functions has a special structure which enables us to design a deep network architecture that can operate on sets and which can be deployed on a variety of scenarios including both unsupervised and supervised learning tasks. We also derive the necessary and sufficient conditions for permutation equivariance in deep models. We demonstrate the applicability of our method on population statistic estimation, point cloud classification, set expansion, and outlier detection.

Today's deep learning methods focus on how to design the most appropriate objective functions so that the prediction results of the model can be closest to the ground truth. Meanwhile, an appropriate architecture that can facilitate acquisition of enough information for prediction has to be designed. Existing methods ignore a fact that when input data undergoes layer-by-layer feature extraction and spatial transformation, large amount of information will be lost. This paper will delve into the important issues of data loss when data is transmitted through deep networks, namely information bottleneck and reversible functions. We proposed the concept of programmable gradient information (PGI) to cope with the various changes required by deep networks to achieve multiple objectives. PGI can provide complete input information for the target task to calculate objective function, so that reliable gradient information can be obtained to update network weights. In addition, a new lightweight network architecture -- Generalized Efficient Layer Aggregation Network (GELAN), based on gradient path planning is designed. GELAN's architecture confirms that PGI has gained superior results on lightweight models. We verified the proposed GELAN and PGI on MS COCO dataset based object detection. The results show that GELAN only uses conventional convolution operators to achieve better parameter utilization than the state-of-the-art methods developed based on depth-wise convolution. PGI can be used for variety of models from lightweight to large. It can be used to obtain complete information, so that train-from-scratch models can achieve better results than state-of-the-art models pre-trained using large datasets, the comparison results are shown in Figure 1. The source codes are at: https://github.com/WongKinYiu/yolov9.

Inverse design refers to the problem of optimizing the input of an objective function in order to enact a target outcome. For many real-world engineering problems, the objective function takes the form of a simulator that predicts how the system state will evolve over time, and the design challenge is to optimize the initial conditions that lead to a target outcome. Recent developments in learned simulation have shown that graph neural networks (GNNs) can be used for accurate, efficient, differentiable estimation of simulator dynamics, and support high-quality design optimization with gradient- or sampling-based optimization procedures. However, optimizing designs from scratch requires many expensive model queries, and these procedures exhibit basic failures on either non-convex or high-dimensional problems.In this work, we show how denoising diffusion models (DDMs) can be used to solve inverse design problems efficiently and propose a particle sampling algorithm for further improving their efficiency. We perform experiments on a number of fluid dynamics design challenges, and find that our approach substantially reduces the number of calls to the simulator compared to standard techniques.

Knowledge probing assesses to which degree a language model (LM) has successfully learned relational knowledge during pre-training. Probing is an inexpensive way to compare LMs of different sizes and training configurations. However, previous approaches rely on the objective function used in pre-training LMs and are thus applicable only to masked or causal LMs. As a result, comparing different types of LMs becomes impossible. To address this, we propose an approach that uses an LM's inherent ability to estimate the log-likelihood of any given textual statement. We carefully design an evaluation dataset of 7,731 instances (40,916 in a larger variant) from which we produce alternative statements for each relational fact, one of which is correct. We then evaluate whether an LM correctly assigns the highest log-likelihood to the correct statement. Our experimental evaluation of 22 common LMs shows that our proposed framework, BEAR, can effectively probe for knowledge across different LM types. We release the BEAR datasets and an open-source framework that implements the probing approach to the research community to facilitate the evaluation and development of LMs.

In this paper, we contend that the objective of representation learning is to compress and transform the distribution of the data, say sets of tokens, towards a mixture of low-dimensional Gaussian distributions supported on incoherent subspaces. The quality of the final representation can be measured by a unified objective function called sparse rate reduction. From this perspective, popular deep networks such as transformers can be naturally viewed as realizing iterative schemes to optimize this objective incrementally. Particularly, we show that the standard transformer block can be derived from alternating optimization on complementary parts of this objective: the multi-head self-attention operator can be viewed as a gradient descent step to compress the token sets by minimizing their lossy coding rate, and the subsequent multi-layer perceptron can be viewed as attempting to sparsify the representation of the tokens. This leads to a family of white-box transformer-like deep network architectures which are mathematically fully interpretable. Despite their simplicity, experiments show that these networks indeed learn to optimize the designed objective: they compress and sparsify representations of large-scale real-world vision datasets such as ImageNet, and achieve performance very close to thoroughly engineered transformers such as ViT. Code is at https://github.com/Ma-Lab-Berkeley/CRATE.

Recent advancements in meta-learning have enabled the automatic discovery of novel reinforcement learning algorithms parameterized by surrogate objective functions. To improve upon manually designed algorithms, the parameterization of this learned objective function must be expressive enough to represent novel principles of learning (instead of merely recovering already established ones) while still generalizing to a wide range of settings outside of its meta-training distribution. However, existing methods focus on discovering objective functions that, like many widely used objective functions in reinforcement learning, do not take into account the total number of steps allowed for training, or "training horizon". In contrast, humans use a plethora of different learning objectives across the course of acquiring a new ability. For instance, students may alter their studying techniques based on the proximity to exam deadlines and their self-assessed capabilities. This paper contends that ignoring the optimization time horizon significantly restricts the expressive potential of discovered learning algorithms. We propose a simple augmentation to two existing objective discovery approaches that allows the discovered algorithm to dynamically update its objective function throughout the agent's training procedure, resulting in expressive schedules and increased generalization across different training horizons. In the process, we find that commonly used meta-gradient approaches fail to discover such adaptive objective functions while evolution strategies discover highly dynamic learning rules. We demonstrate the effectiveness of our approach on a wide range of tasks and analyze the resulting learned algorithms, which we find effectively balance exploration and exploitation by modifying the structure of their learning rules throughout the agent's lifetime.

In this paper, we study the predict-then-optimize problem where the output of a machine learning prediction task is used as the input of some downstream optimization problem, say, the objective coefficient vector of a linear program. The problem is also known as predictive analytics or contextual linear programming. The existing approaches largely suffer from either (i) optimization intractability (a non-convex objective function)/statistical inefficiency (a suboptimal generalization bound) or (ii) requiring strong condition(s) such as no constraint or loss calibration. We develop a new approach to the problem called maximum optimality margin which designs the machine learning loss function by the optimality condition of the downstream optimization. The max-margin formulation enjoys both computational efficiency and good theoretical properties for the learning procedure. More importantly, our new approach only needs the observations of the optimal solution in the training data rather than the objective function, which makes it a new and natural approach to the inverse linear programming problem under both contextual and context-free settings; we also analyze the proposed method under both offline and online settings, and demonstrate its performance using numerical experiments.

Upside down reinforcement learning (UDRL) flips the conventional use of the return in the objective function in RL upside down, by taking returns as input and predicting actions. UDRL is based purely on supervised learning, and bypasses some prominent issues in RL: bootstrapping, off-policy corrections, and discount factors. While previous work with UDRL demonstrated it in a traditional online RL setting, here we show that this single algorithm can also work in the imitation learning and offline RL settings, be extended to the goal-conditioned RL setting, and even the meta-RL setting. With a general agent architecture, a single UDRL agent can learn across all paradigms.

Mixup is a well-known data-dependent augmentation technique for DNNs, consisting of two sub-tasks: mixup generation and classification. However, the recent dominant online training method confines mixup to supervised learning (SL), and the objective of the generation sub-task is limited to selected sample pairs instead of the whole data manifold, which might cause trivial solutions. To overcome such limitations, we comprehensively study the objective of mixup generation and propose Scenario-Agnostic Mixup (SAMix) for both SL and Self-supervised Learning (SSL) scenarios. Specifically, we hypothesize and verify the objective function of mixup generation as optimizing local smoothness between two mixed classes subject to global discrimination from other classes. Accordingly, we propose eta-balanced mixup loss for complementary learning of the two sub-objectives. Meanwhile, a label-free generation sub-network is designed, which effectively provides non-trivial mixup samples and improves transferable abilities. Moreover, to reduce the computational cost of online training, we further introduce a pre-trained version, SAMix^P, achieving more favorable efficiency and generalizability. Extensive experiments on nine SL and SSL benchmarks demonstrate the consistent superiority and versatility of SAMix compared with existing methods.

Training large language models to acquire specific skills remains a challenging endeavor. Conventional training approaches often struggle with data distribution imbalances and inadequacies in objective functions that do not align well with task-specific performance. To address these challenges, we introduce CycleQD, a novel approach that leverages the Quality Diversity framework through a cyclic adaptation of the algorithm, along with a model merging based crossover and an SVD-based mutation. In CycleQD, each task's performance metric is alternated as the quality measure while the others serve as the behavioral characteristics. This cyclic focus on individual tasks allows for concentrated effort on one task at a time, eliminating the need for data ratio tuning and simplifying the design of the objective function. Empirical results from AgentBench indicate that applying CycleQD to LLAMA3-8B-INSTRUCT based models not only enables them to surpass traditional fine-tuning methods in coding, operating systems, and database tasks, but also achieves performance on par with GPT-3.5-TURBO, which potentially contains much more parameters, across these domains. Crucially, this enhanced performance is achieved while retaining robust language capabilities, as evidenced by its performance on widely adopted language benchmark tasks. We highlight the key design choices in CycleQD, detailing how these contribute to its effectiveness. Furthermore, our method is general and can be applied to image segmentation models, highlighting its applicability across different domains.

Pretrained language models (PLMs) have shown marvelous improvements across various NLP tasks. Most Chinese PLMs simply treat an input text as a sequence of characters, and completely ignore word information. Although Whole Word Masking can alleviate this, the semantics in words is still not well represented. In this paper, we revisit the segmentation granularity of Chinese PLMs. We propose a mixed-granularity Chinese BERT (MigBERT) by considering both characters and words. To achieve this, we design objective functions for learning both character and word-level representations. We conduct extensive experiments on various Chinese NLP tasks to evaluate existing PLMs as well as the proposed MigBERT. Experimental results show that MigBERT achieves new SOTA performance on all these tasks. Further analysis demonstrates that words are semantically richer than characters. More interestingly, we show that MigBERT also works with Japanese. Our code and model have been released here~https://github.com/xnliang98/MigBERT.

Clustering is a widely deployed unsupervised learning tool. Model-based clustering is a flexible framework to tackle data heterogeneity when the clusters have different shapes. Likelihood-based inference for mixture distributions often involves non-convex and high-dimensional objective functions, imposing difficult computational and statistical challenges. The classic expectation-maximization (EM) algorithm is a computationally thrifty iterative method that maximizes a surrogate function minorizing the log-likelihood of observed data in each iteration, which however suffers from bad local maxima even in the special case of the standard Gaussian mixture model with common isotropic covariance matrices. On the other hand, recent studies reveal that the unique global solution of a semidefinite programming (SDP) relaxed K-means achieves the information-theoretically sharp threshold for perfectly recovering the cluster labels under the standard Gaussian mixture model. In this paper, we extend the SDP approach to a general setting by integrating cluster labels as model parameters and propose an iterative likelihood adjusted SDP (iLA-SDP) method that directly maximizes the exact observed likelihood in the presence of data heterogeneity. By lifting the cluster assignment to group-specific membership matrices, iLA-SDP avoids centroids estimation -- a key feature that allows exact recovery under well-separateness of centroids without being trapped by their adversarial configurations. Thus iLA-SDP is less sensitive than EM to initialization and more stable on high-dimensional data. Our numeric experiments demonstrate that iLA-SDP can achieve lower mis-clustering errors over several widely used clustering methods including K-means, SDP and EM algorithms.

Mirror descent (MD), a well-known first-order method in constrained convex optimization, has recently been shown as an important tool to analyze trust-region algorithms in reinforcement learning (RL). However, there remains a considerable gap between such theoretically analyzed algorithms and the ones used in practice. Inspired by this, we propose an efficient RL algorithm, called {\em mirror descent policy optimization} (MDPO). MDPO iteratively updates the policy by {\em approximately} solving a trust-region problem, whose objective function consists of two terms: a linearization of the standard RL objective and a proximity term that restricts two consecutive policies to be close to each other. Each update performs this approximation by taking multiple gradient steps on this objective function. We derive {\em on-policy} and {\em off-policy} variants of MDPO, while emphasizing important design choices motivated by the existing theory of MD in RL. We highlight the connections between on-policy MDPO and two popular trust-region RL algorithms: TRPO and PPO, and show that explicitly enforcing the trust-region constraint is in fact {\em not} a necessity for high performance gains in TRPO. We then show how the popular soft actor-critic (SAC) algorithm can be derived by slight modifications of off-policy MDPO. Overall, MDPO is derived from the MD principles, offers a unified approach to viewing a number of popular RL algorithms, and performs better than or on-par with TRPO, PPO, and SAC in a number of continuous control tasks. Code is available at https://github.com/manantomar/Mirror-Descent-Policy-Optimization.

Most state-of-the-art self-supervised speaker verification systems rely on a contrastive-based objective function to learn speaker representations from unlabeled speech data. We explore different ways to improve the performance of these methods by: (1) revisiting how positive and negative pairs are sampled through a "symmetric" formulation of the contrastive loss; (2) introducing margins similar to AM-Softmax and AAM-Softmax that have been widely adopted in the supervised setting. We demonstrate the effectiveness of the symmetric contrastive loss which provides more supervision for the self-supervised task. Moreover, we show that Additive Margin and Additive Angular Margin allow reducing the overall number of false negatives and false positives by improving speaker separability. Finally, by combining both techniques and training a larger model we achieve 7.50% EER and 0.5804 minDCF on the VoxCeleb1 test set, which outperforms other contrastive self supervised methods on speaker verification.

Supervised learning can be viewed as distilling relevant information from input data into feature representations. This process becomes difficult when supervision is noisy as the distilled information might not be relevant. In fact, recent research shows that networks can easily overfit all labels including those that are corrupted, and hence can hardly generalize to clean datasets. In this paper, we focus on the problem of learning with noisy labels and introduce compression inductive bias to network architectures to alleviate this over-fitting problem. More precisely, we revisit one classical regularization named Dropout and its variant Nested Dropout. Dropout can serve as a compression constraint for its feature dropping mechanism, while Nested Dropout further learns ordered feature representations w.r.t. feature importance. Moreover, the trained models with compression regularization are further combined with Co-teaching for performance boost. Theoretically, we conduct bias-variance decomposition of the objective function under compression regularization. We analyze it for both single model and Co-teaching. This decomposition provides three insights: (i) it shows that over-fitting is indeed an issue for learning with noisy labels; (ii) through an information bottleneck formulation, it explains why the proposed feature compression helps in combating label noise; (iii) it gives explanations on the performance boost brought by incorporating compression regularization into Co-teaching. Experiments show that our simple approach can have comparable or even better performance than the state-of-the-art methods on benchmarks with real-world label noise including Clothing1M and ANIMAL-10N. Our implementation is available at https://yingyichen-cyy.github.io/CompressFeatNoisyLabels/.

We consider decentralized optimization problems where one aims to minimize a sum of convex smooth objective functions distributed between nodes in the network. The links in the network can change from time to time. For the setting when the amount of changes is arbitrary, lower complexity bounds and corresponding optimal algorithms are known, and the consensus acceleration is not possible. However, in practice the magnitude of network changes may be limited. We derive lower communication complexity bounds for several regimes of velocity of networks changes. Moreover, we show how to obtain accelerated communication rates for a certain class of time-varying graphs using a specific consensus algorithm.

Harnessing the power of human-annotated data through Supervised Fine-Tuning (SFT) is pivotal for advancing Large Language Models (LLMs). In this paper, we delve into the prospect of growing a strong LLM out of a weak one without the need for acquiring additional human-annotated data. We propose a new fine-tuning method called Self-Play fIne-tuNing (SPIN), which starts from a supervised fine-tuned model. At the heart of SPIN lies a self-play mechanism, where the LLM refines its capability by playing against instances of itself. More specifically, the LLM generates its own training data from its previous iterations, refining its policy by discerning these self-generated responses from those obtained from human-annotated data. Our method progressively elevates the LLM from a nascent model to a formidable one, unlocking the full potential of human-annotated demonstration data for SFT. Theoretically, we prove that the global optimum to the training objective function of our method is achieved only when the LLM policy aligns with the target data distribution. Empirically, we evaluate our method on several benchmark datasets including the HuggingFace Open LLM Leaderboard, MT-Bench, and datasets from Big-Bench. Our results show that SPIN can significantly improve the LLM's performance across a variety of benchmarks and even outperform models trained through direct preference optimization (DPO) supplemented with extra GPT-4 preference data. This sheds light on the promise of self-play, enabling the achievement of human-level performance in LLMs without the need for expert opponents.

Large Language Models are known to capture real-world knowledge, allowing them to excel in many downstream tasks. Despite recent advances, these models are still prone to what are commonly known as hallucinations, causing them to emit unwanted and factually incorrect text. In this work, we propose a novel calibration method that can be used to combat hallucinations. We add a special [IDK] ("I don't know") token to the model's vocabulary and introduce an objective function that shifts probability mass to the [IDK] token for incorrect predictions. This approach allows the model to express uncertainty in its output explicitly. We evaluate our proposed method across multiple model architectures and factual downstream tasks. We find that models trained with our method are able to express uncertainty in places where they would previously make mistakes while suffering only a small loss of encoded knowledge. We further perform extensive ablation studies of multiple variations of our approach and provide a detailed analysis of the precision-recall tradeoff of our method.

We present CodeBERT, a bimodal pre-trained model for programming language (PL) and nat-ural language (NL). CodeBERT learns general-purpose representations that support downstream NL-PL applications such as natural language codesearch, code documentation generation, etc. We develop CodeBERT with Transformer-based neural architecture, and train it with a hybrid objective function that incorporates the pre-training task of replaced token detection, which is to detect plausible alternatives sampled from generators. This enables us to utilize both bimodal data of NL-PL pairs and unimodal data, where the former provides input tokens for model training while the latter helps to learn better generators. We evaluate CodeBERT on two NL-PL applications by fine-tuning model parameters. Results show that CodeBERT achieves state-of-the-art performance on both natural language code search and code documentation generation tasks. Furthermore, to investigate what type of knowledge is learned in CodeBERT, we construct a dataset for NL-PL probing, and evaluate in a zero-shot setting where parameters of pre-trained models are fixed. Results show that CodeBERT performs better than previous pre-trained models on NL-PL probing.

Conversational modeling is an important task in natural language understanding and machine intelligence. Although previous approaches exist, they are often restricted to specific domains (e.g., booking an airline ticket) and require hand-crafted rules. In this paper, we present a simple approach for this task which uses the recently proposed sequence to sequence framework. Our model converses by predicting the next sentence given the previous sentence or sentences in a conversation. The strength of our model is that it can be trained end-to-end and thus requires much fewer hand-crafted rules. We find that this straightforward model can generate simple conversations given a large conversational training dataset. Our preliminary results suggest that, despite optimizing the wrong objective function, the model is able to converse well. It is able extract knowledge from both a domain specific dataset, and from a large, noisy, and general domain dataset of movie subtitles. On a domain-specific IT helpdesk dataset, the model can find a solution to a technical problem via conversations. On a noisy open-domain movie transcript dataset, the model can perform simple forms of common sense reasoning. As expected, we also find that the lack of consistency is a common failure mode of our model.

Multi-task learning (MTL) aims to empower a model to tackle multiple tasks simultaneously. A recent development known as task arithmetic has revealed that several models, each fine-tuned for distinct tasks, can be directly merged into a single model to execute MTL without necessitating a retraining process using the initial training data. Nevertheless, this direct addition of models often leads to a significant deterioration in the overall performance of the merged model. This decline occurs due to potential conflicts and intricate correlations among the multiple tasks. Consequently, the challenge emerges of how to merge pre-trained models more effectively without using their original training data. This paper introduces an innovative technique called Adaptive Model Merging (AdaMerging). This approach aims to autonomously learn the coefficients for model merging, either in a task-wise or layer-wise manner, without relying on the original training data. Specifically, our AdaMerging method operates as an automatic, unsupervised task arithmetic scheme. It leverages entropy minimization on unlabeled test samples from the multi-task setup as a surrogate objective function to iteratively refine the merging coefficients of the multiple models. Our experimental findings across eight tasks demonstrate the efficacy of the AdaMerging scheme we put forth. Compared to the current state-of-the-art task arithmetic merging scheme, AdaMerging showcases a remarkable 11\% improvement in performance. Notably, AdaMerging also exhibits superior generalization capabilities when applied to unseen downstream tasks. Furthermore, it displays a significantly enhanced robustness to data distribution shifts that may occur during the testing phase.

Wasserstein gradient flow has emerged as a promising approach to solve optimization problems over the space of probability distributions. A recent trend is to use the well-known JKO scheme in combination with input convex neural networks to numerically implement the proximal step. The most challenging step, in this setup, is to evaluate functions involving density explicitly, such as entropy, in terms of samples. This paper builds on the recent works with a slight but crucial difference: we propose to utilize a variational formulation of the objective function formulated as maximization over a parametric class of functions. Theoretically, the proposed variational formulation allows the construction of gradient flows directly for empirical distributions with a well-defined and meaningful objective function. Computationally, this approach replaces the computationally expensive step in existing methods, to handle objective functions involving density, with inner loop updates that only require a small batch of samples and scale well with the dimension. The performance and scalability of the proposed method are illustrated with the aid of several numerical experiments involving high-dimensional synthetic and real datasets.

Federated semi-supervised learning (FSSL) has emerged as a powerful paradigm for collaboratively training machine learning models using distributed data with label deficiency. Advanced FSSL methods predominantly focus on training a single model on each client. However, this approach could lead to a discrepancy between the objective functions of labeled and unlabeled data, resulting in gradient conflicts. To alleviate gradient conflict, we propose a novel twin-model paradigm, called Twin-sight, designed to enhance mutual guidance by providing insights from different perspectives of labeled and unlabeled data. In particular, Twin-sight concurrently trains a supervised model with a supervised objective function while training an unsupervised model using an unsupervised objective function. To enhance the synergy between these two models, Twin-sight introduces a neighbourhood-preserving constraint, which encourages the preservation of the neighbourhood relationship among data features extracted by both models. Our comprehensive experiments on four benchmark datasets provide substantial evidence that Twin-sight can significantly outperform state-of-the-art methods across various experimental settings, demonstrating the efficacy of the proposed Twin-sight.

Inverse design, where we seek to design input variables in order to optimize an underlying objective function, is an important problem that arises across fields such as mechanical engineering to aerospace engineering. Inverse design is typically formulated as an optimization problem, with recent works leveraging optimization across learned dynamics models. However, as models are optimized they tend to fall into adversarial modes, preventing effective sampling. We illustrate that by instead optimizing over the learned energy function captured by the diffusion model, we can avoid such adversarial examples and significantly improve design performance. We further illustrate how such a design system is compositional, enabling us to combine multiple different diffusion models representing subcomponents of our desired system to design systems with every specified component. In an N-body interaction task and a challenging 2D multi-airfoil design task, we demonstrate that by composing the learned diffusion model at test time, our method allows us to design initial states and boundary shapes that are more complex than those in the training data. Our method generalizes to more objects for N-body dataset and discovers formation flying to minimize drag in the multi-airfoil design task. Project website and code can be found at https://github.com/AI4Science-WestlakeU/cindm.

Evaluating the performance of perception modules in autonomous driving is one of the most critical tasks in developing the complex intelligent system. While module-level unit test metrics adopted from traditional computer vision tasks are feasible to some extent, it remains far less explored to measure the impact of perceptual noise on the driving quality of autonomous vehicles in a consistent and holistic manner. In this work, we propose a principled framework that provides a coherent and systematic understanding of the impact an error in the perception module imposes on an autonomous agent's planning that actually controls the vehicle. Specifically, the planning process is formulated as expected utility maximisation, where all input signals from upstream modules jointly provide a world state description, and the planner strives for the optimal action by maximising the expected utility determined by both world states and actions. We show that, under practical conditions, the objective function can be represented as an inner product between the world state description and the utility function in a Hilbert space. This geometric interpretation enables a novel way to analyse the impact of noise in world state estimation on planning and leads to a universal metric for evaluating perception. The whole framework resembles the idea of transcendental idealism in the classical philosophical literature, which gives the name to our approach.

Clustering aims to group unlabelled samples based on their similarities. It has become a significant tool for the analysis of high-dimensional data. However, most of the clustering methods merely generate pseudo labels and thus are unable to simultaneously present the similarities between different clusters and outliers. This paper proposes a new framework called High-dimensional Clustering onto Hamiltonian Cycle (HCHC) to solve the above problems. First, HCHC combines global structure with local structure in one objective function for deep clustering, improving the labels as relative probabilities, to mine the similarities between different clusters while keeping the local structure in each cluster. Then, the anchors of different clusters are sorted on the optimal Hamiltonian cycle generated by the cluster similarities and mapped on the circumference of a circle. Finally, a sample with a higher probability of a cluster will be mapped closer to the corresponding anchor. In this way, our framework allows us to appreciate three aspects visually and simultaneously - clusters (formed by samples with high probabilities), cluster similarities (represented as circular distances), and outliers (recognized as dots far away from all clusters). The experiments illustrate the superiority of HCHC.

Exploiting partial first-order information in a cyclic way is arguably the most natural strategy to obtain scalable first-order methods. However, despite their wide use in practice, cyclic schemes are far less understood from a theoretical perspective than their randomized counterparts. Motivated by a recent success in analyzing an extrapolated cyclic scheme for generalized variational inequalities, we propose an Accelerated Cyclic Coordinate Dual Averaging with Extrapolation (A-CODER) method for composite convex optimization, where the objective function can be expressed as the sum of a smooth convex function accessible via a gradient oracle and a convex, possibly nonsmooth, function accessible via a proximal oracle. We show that A-CODER attains the optimal convergence rate with improved dependence on the number of blocks compared to prior work. Furthermore, for the setting where the smooth component of the objective function is expressible in a finite sum form, we introduce a variance-reduced variant of A-CODER, VR-A-CODER, with state-of-the-art complexity guarantees. Finally, we demonstrate the effectiveness of our algorithms through numerical experiments.

In this study, we delve into an emerging optimization challenge involving a black-box objective function that can only be gauged via a ranking oracle-a situation frequently encountered in real-world scenarios, especially when the function is evaluated by human judges. Such challenge is inspired from Reinforcement Learning with Human Feedback (RLHF), an approach recently employed to enhance the performance of Large Language Models (LLMs) using human guidance. We introduce ZO-RankSGD, an innovative zeroth-order optimization algorithm designed to tackle this optimization problem, accompanied by theoretical assurances. Our algorithm utilizes a novel rank-based random estimator to determine the descent direction and guarantees convergence to a stationary point. Moreover, ZO-RankSGD is readily applicable to policy optimization problems in Reinforcement Learning (RL), particularly when only ranking oracles for the episode reward are available. Last but not least, we demonstrate the effectiveness of ZO-RankSGD in a novel application: improving the quality of images generated by a diffusion generative model with human ranking feedback. Throughout experiments, we found that ZO-RankSGD can significantly enhance the detail of generated images with only a few rounds of human feedback. Overall, our work advances the field of zeroth-order optimization by addressing the problem of optimizing functions with only ranking feedback, and offers a new and effective approach for aligning Artificial Intelligence (AI) with human intentions.

Reducing communication overhead in federated learning (FL) is challenging but crucial for large-scale distributed privacy-preserving machine learning. While methods utilizing sparsification or others can largely lower the communication overhead, the convergence rate is also greatly compromised. In this paper, we propose a novel method, named single-step synthetic features compressor (3SFC), to achieve communication-efficient FL by directly constructing a tiny synthetic dataset based on raw gradients. Thus, 3SFC can achieve an extremely low compression rate when the constructed dataset contains only one data sample. Moreover, 3SFC's compressing phase utilizes a similarity-based objective function so that it can be optimized with just one step, thereby considerably improving its performance and robustness. In addition, to minimize the compressing error, error feedback (EF) is also incorporated into 3SFC. Experiments on multiple datasets and models suggest that 3SFC owns significantly better convergence rates compared to competing methods with lower compression rates (up to 0.02%). Furthermore, ablation studies and visualizations show that 3SFC can carry more information than competing methods for every communication round, further validating its effectiveness.

The recently developed discrete diffusion models perform extraordinarily well in the text-to-image task, showing significant promise for handling the multi-modality signals. In this work, we harness these traits and present a unified multimodal generation model that can conduct both the "modality translation" and "multi-modality generation" tasks using a single model, performing text-based, image-based, and even vision-language simultaneous generation. Specifically, we unify the discrete diffusion process for multimodal signals by proposing a unified transition matrix. Moreover, we design a mutual attention module with fused embedding layer and a unified objective function to emphasise the inter-modal linkages, which are vital for multi-modality generation. Extensive experiments indicate that our proposed method can perform comparably to the state-of-the-art solutions in various generation tasks.

In this work, we study the problem of privately maximizing a submodular function in the streaming setting. Extensive work has been done on privately maximizing submodular functions in the general case when the function depends upon the private data of individuals. However, when the size of the data stream drawn from the domain of the objective function is large or arrives very fast, one must privately optimize the objective within the constraints of the streaming setting. We establish fundamental differentially private baselines for this problem and then derive better trade-offs between privacy and utility for the special case of decomposable submodular functions. A submodular function is decomposable when it can be written as a sum of submodular functions; this structure arises naturally when each summand function models the utility of an individual and the goal is to study the total utility of the whole population as in the well-known Combinatorial Public Projects Problem. Finally, we complement our theoretical analysis with experimental corroboration.

Many contrastive representation learning methods learn a single global representation of an entire image. However, dense contrastive representation learning methods such as DenseCL (Wang et al., 2021) can learn better representations for tasks requiring stronger spatial localization of features, such as multi-label classification, detection, and segmentation. In this work, we study how to improve the quality of the representations learned by DenseCL by modifying the training scheme and objective function, and propose DenseCL++. We also conduct several ablation studies to better understand the effects of: (i) various techniques to form dense negative pairs among augmentations of different images, (ii) cross-view dense negative and positive pairs, and (iii) an auxiliary reconstruction task. Our results show 3.5% and 4% mAP improvement over SimCLR (Chen et al., 2020a) andDenseCL in COCO multi-label classification. In COCO and VOC segmentation tasks, we achieve 1.8% and 0.7% mIoU improvements over SimCLR, respectively.

Neural text ranking models have witnessed significant advancement and are increasingly being deployed in practice. Unfortunately, they also inherit adversarial vulnerabilities of general neural models, which have been detected but remain underexplored by prior studies. Moreover, the inherit adversarial vulnerabilities might be leveraged by blackhat SEO to defeat better-protected search engines. In this study, we propose an imitation adversarial attack on black-box neural passage ranking models. We first show that the target passage ranking model can be transparentized and imitated by enumerating critical queries/candidates and then train a ranking imitation model. Leveraging the ranking imitation model, we can elaborately manipulate the ranking results and transfer the manipulation attack to the target ranking model. For this purpose, we propose an innovative gradient-based attack method, empowered by the pairwise objective function, to generate adversarial triggers, which causes premeditated disorderliness with very few tokens. To equip the trigger camouflages, we add the next sentence prediction loss and the language model fluency constraint to the objective function. Experimental results on passage ranking demonstrate the effectiveness of the ranking imitation attack model and adversarial triggers against various SOTA neural ranking models. Furthermore, various mitigation analyses and human evaluation show the effectiveness of camouflages when facing potential mitigation approaches. To motivate other scholars to further investigate this novel and important problem, we make the experiment data and code publicly available.

Understanding the content of videos is one of the core techniques for developing various helpful applications in the real world, such as recognizing various human actions for surveillance systems or customer behavior analysis in an autonomous shop. However, understanding the content or story of the video still remains a challenging problem due to its sheer amount of data and temporal structure. In this paper, we propose a multi-channel neural network structure that adopts a two-stream network structure, which has been shown high performance in human action recognition field, and use it as a spatiotemporal video feature extractor for solving video question and answering task. We also adopt a squeeze-and-excitation structure to two-stream network structure for achieving a channel-wise attended spatiotemporal feature. For jointly modeling the spatiotemporal features from video and the textual features from the question, we design a context matching module with a level adjusting layer to remove the gap of information between visual and textual features by applying attention mechanism on joint modeling. Finally, we adopt a scoring mechanism and smoothed ranking loss objective function for selecting the correct answer from answer candidates. We evaluate our model with TVQA dataset, and our approach shows the improved result in textual only setting, but the result with visual feature shows the limitation and possibility of our approach.

This paper focuses on the problem of constrained stochastic optimization. A zeroth order Frank-Wolfe algorithm is proposed, which in addition to the projection-free nature of the vanilla Frank-Wolfe algorithm makes it gradient free. Under convexity and smoothness assumption, we show that the proposed algorithm converges to the optimal objective function at a rate Oleft(1/T^{1/3}right), where T denotes the iteration count. In particular, the primal sub-optimality gap is shown to have a dimension dependence of Oleft(d^{1/3}right), which is the best known dimension dependence among all zeroth order optimization algorithms with one directional derivative per iteration. For non-convex functions, we obtain the Frank-Wolfe gap to be Oleft(d^{1/3}T^{-1/4}right). Experiments on black-box optimization setups demonstrate the efficacy of the proposed algorithm.

Pose Machines provide a sequential prediction framework for learning rich implicit spatial models. In this work we show a systematic design for how convolutional networks can be incorporated into the pose machine framework for learning image features and image-dependent spatial models for the task of pose estimation. The contribution of this paper is to implicitly model long-range dependencies between variables in structured prediction tasks such as articulated pose estimation. We achieve this by designing a sequential architecture composed of convolutional networks that directly operate on belief maps from previous stages, producing increasingly refined estimates for part locations, without the need for explicit graphical model-style inference. Our approach addresses the characteristic difficulty of vanishing gradients during training by providing a natural learning objective function that enforces intermediate supervision, thereby replenishing back-propagated gradients and conditioning the learning procedure. We demonstrate state-of-the-art performance and outperform competing methods on standard benchmarks including the MPII, LSP, and FLIC datasets.

We introduce Adam, an algorithm for first-order gradient-based optimization of stochastic objective functions, based on adaptive estimates of lower-order moments. The method is straightforward to implement, is computationally efficient, has little memory requirements, is invariant to diagonal rescaling of the gradients, and is well suited for problems that are large in terms of data and/or parameters. The method is also appropriate for non-stationary objectives and problems with very noisy and/or sparse gradients. The hyper-parameters have intuitive interpretations and typically require little tuning. Some connections to related algorithms, on which Adam was inspired, are discussed. We also analyze the theoretical convergence properties of the algorithm and provide a regret bound on the convergence rate that is comparable to the best known results under the online convex optimization framework. Empirical results demonstrate that Adam works well in practice and compares favorably to other stochastic optimization methods. Finally, we discuss AdaMax, a variant of Adam based on the infinity norm.

A class of generative models that unifies flow-based and diffusion-based methods is introduced. These models extend the framework proposed in Albergo & Vanden-Eijnden (2023), enabling the use of a broad class of continuous-time stochastic processes called `stochastic interpolants' to bridge any two arbitrary probability density functions exactly in finite time. These interpolants are built by combining data from the two prescribed densities with an additional latent variable that shapes the bridge in a flexible way. The time-dependent probability density function of the stochastic interpolant is shown to satisfy a first-order transport equation as well as a family of forward and backward Fokker-Planck equations with tunable diffusion coefficient. Upon consideration of the time evolution of an individual sample, this viewpoint immediately leads to both deterministic and stochastic generative models based on probability flow equations or stochastic differential equations with an adjustable level of noise. The drift coefficients entering these models are time-dependent velocity fields characterized as the unique minimizers of simple quadratic objective functions, one of which is a new objective for the score of the interpolant density. We show that minimization of these quadratic objectives leads to control of the likelihood for generative models built upon stochastic dynamics, while likelihood control for deterministic dynamics is more stringent. We also discuss connections with other methods such as score-based diffusion models, stochastic localization processes, probabilistic denoising techniques, and rectifying flows. In addition, we demonstrate that stochastic interpolants recover the Schr\"odinger bridge between the two target densities when explicitly optimizing over the interpolant. Finally, algorithmic aspects are discussed and the approach is illustrated on numerical examples.

Despite the breakthroughs in accuracy and speed of single image super-resolution using faster and deeper convolutional neural networks, one central problem remains largely unsolved: how do we recover the finer texture details when we super-resolve at large upscaling factors? The behavior of optimization-based super-resolution methods is principally driven by the choice of the objective function. Recent work has largely focused on minimizing the mean squared reconstruction error. The resulting estimates have high peak signal-to-noise ratios, but they are often lacking high-frequency details and are perceptually unsatisfying in the sense that they fail to match the fidelity expected at the higher resolution. In this paper, we present SRGAN, a generative adversarial network (GAN) for image super-resolution (SR). To our knowledge, it is the first framework capable of inferring photo-realistic natural images for 4x upscaling factors. To achieve this, we propose a perceptual loss function which consists of an adversarial loss and a content loss. The adversarial loss pushes our solution to the natural image manifold using a discriminator network that is trained to differentiate between the super-resolved images and original photo-realistic images. In addition, we use a content loss motivated by perceptual similarity instead of similarity in pixel space. Our deep residual network is able to recover photo-realistic textures from heavily downsampled images on public benchmarks. An extensive mean-opinion-score (MOS) test shows hugely significant gains in perceptual quality using SRGAN. The MOS scores obtained with SRGAN are closer to those of the original high-resolution images than to those obtained with any state-of-the-art method.

Large language models (LLMs) have shown remarkable instruction-following capabilities and achieved impressive performances in various applications. However, the performances of LLMs depend heavily on the instructions given to them, which are typically manually tuned with substantial human efforts. Recent work has used the query-efficient Bayesian optimization (BO) algorithm to automatically optimize the instructions given to black-box LLMs. However, BO usually falls short when optimizing highly sophisticated (e.g., high-dimensional) objective functions, such as the functions mapping an instruction to the performance of an LLM. This is mainly due to the limited expressive power of the Gaussian process (GP) which is used by BO as a surrogate to model the objective function. Meanwhile, it has been repeatedly shown that neural networks (NNs), especially pre-trained transformers, possess strong expressive power and can model highly complex functions. So, we adopt a neural bandit algorithm which replaces the GP in BO by an NN surrogate to optimize instructions for black-box LLMs. More importantly, the neural bandit algorithm allows us to naturally couple the NN surrogate with the hidden representation learned by a pre-trained transformer (i.e., an open-source LLM), which significantly boosts its performance. These motivate us to propose our INSTruction optimization usIng Neural bandits Coupled with Transformers (INSTINCT) algorithm. We perform instruction optimization for ChatGPT and use extensive experiments to show that INSTINCT consistently outperforms baselines in different tasks, e.g., various instruction induction tasks and the task of improving zero-shot chain-of-thought instructions. Our code is available at https://github.com/xqlin98/INSTINCT.

In this work, we study first-order algorithms for solving Bilevel Optimization (BO) where the objective functions are smooth but possibly nonconvex in both levels and the variables are restricted to closed convex sets. As a first step, we study the landscape of BO through the lens of penalty methods, in which the upper- and lower-level objectives are combined in a weighted sum with penalty parameter sigma > 0. In particular, we establish a strong connection between the penalty function and the hyper-objective by explicitly characterizing the conditions under which the values and derivatives of the two must be O(sigma)-close. A by-product of our analysis is the explicit formula for the gradient of hyper-objective when the lower-level problem has multiple solutions under minimal conditions, which could be of independent interest. Next, viewing the penalty formulation as O(sigma)-approximation of the original BO, we propose first-order algorithms that find an epsilon-stationary solution by optimizing the penalty formulation with sigma = O(epsilon). When the perturbed lower-level problem uniformly satisfies the small-error proximal error-bound (EB) condition, we propose a first-order algorithm that converges to an epsilon-stationary point of the penalty function, using in total O(epsilon^{-3}) and O(epsilon^{-7}) accesses to first-order (stochastic) gradient oracles when the oracle is deterministic and oracles are noisy, respectively. Under an additional assumption on stochastic oracles, we show that the algorithm can be implemented in a fully {\it single-loop} manner, i.e., with O(1) samples per iteration, and achieves the improved oracle-complexity of O(epsilon^{-3}) and O(epsilon^{-5}), respectively.

Geometric model fitting is a challenging but fundamental computer vision problem. Recently, quantum optimization has been shown to enhance robust fitting for the case of a single model, while leaving the question of multi-model fitting open. In response to this challenge, this paper shows that the latter case can significantly benefit from quantum hardware and proposes the first quantum approach to multi-model fitting (MMF). We formulate MMF as a problem that can be efficiently sampled by modern adiabatic quantum computers without the relaxation of the objective function. We also propose an iterative and decomposed version of our method, which supports real-world-sized problems. The experimental evaluation demonstrates promising results on a variety of datasets. The source code is available at: https://github.com/FarinaMatteo/qmmf.

Unconditional human image generation is an important task in vision and graphics, which enables various applications in the creative industry. Existing studies in this field mainly focus on "network engineering" such as designing new components and objective functions. This work takes a data-centric perspective and investigates multiple critical aspects in "data engineering", which we believe would complement the current practice. To facilitate a comprehensive study, we collect and annotate a large-scale human image dataset with over 230K samples capturing diverse poses and textures. Equipped with this large dataset, we rigorously investigate three essential factors in data engineering for StyleGAN-based human generation, namely data size, data distribution, and data alignment. Extensive experiments reveal several valuable observations w.r.t. these aspects: 1) Large-scale data, more than 40K images, are needed to train a high-fidelity unconditional human generation model with vanilla StyleGAN. 2) A balanced training set helps improve the generation quality with rare face poses compared to the long-tailed counterpart, whereas simply balancing the clothing texture distribution does not effectively bring an improvement. 3) Human GAN models with body centers for alignment outperform models trained using face centers or pelvis points as alignment anchors. In addition, a model zoo and human editing applications are demonstrated to facilitate future research in the community.

In this paper, a safe and learning-based control framework for model predictive control (MPC) is proposed to optimize nonlinear systems with a non-differentiable objective function under uncertain environmental disturbances. The control framework integrates a learning-based MPC with an auxiliary controller in a way of minimal intervention. The learning-based MPC augments the prior nominal model with incremental Gaussian Processes to learn the uncertain disturbances. The cross-entropy method (CEM) is utilized as the sampling-based optimizer for the MPC with a non-differentiable objective function. A minimal intervention controller is devised with a control Lyapunov function and a control barrier function to guide the sampling process and endow the system with high probabilistic safety. The proposed algorithm shows a safe and adaptive control performance on a simulated quadrotor in the tasks of trajectory tracking and obstacle avoidance under uncertain wind disturbances.

Density estimation, compression and data generation are crucial tasks in artificial intelligence. Variational Auto-Encoders (VAEs) constitute a single framework to achieve these goals. Here, we present a novel class of generative models, called self-supervised Variational Auto-Encoder (selfVAE), that utilizes deterministic and discrete variational posteriors. This class of models allows to perform both conditional and unconditional sampling, while simplifying the objective function. First, we use a single self-supervised transformation as a latent variable, where a transformation is either downscaling or edge detection. Next, we consider a hierarchical architecture, i.e., multiple transformations, and we show its benefits compared to the VAE. The flexibility of selfVAE in data reconstruction finds a particularly interesting use case in data compression tasks, where we can trade-off memory for better data quality, and vice-versa. We present performance of our approach on three benchmark image data (Cifar10, Imagenette64, and CelebA).

Tensor Networks (TN) offer a powerful framework to efficiently represent very high-dimensional objects. TN have recently shown their potential for machine learning applications and offer a unifying view of common tensor decomposition models such as Tucker, tensor train (TT) and tensor ring (TR). However, identifying the best tensor network structure from data for a given task is challenging. In this work, we leverage the TN formalism to develop a generic and efficient adaptive algorithm to jointly learn the structure and the parameters of a TN from data. Our method is based on a simple greedy approach starting from a rank one tensor and successively identifying the most promising tensor network edges for small rank increments. Our algorithm can adaptively identify TN structures with small number of parameters that effectively optimize any differentiable objective function. Experiments on tensor decomposition, tensor completion and model compression tasks demonstrate the effectiveness of the proposed algorithm. In particular, our method outperforms the state-of-the-art evolutionary topology search [Li and Sun, 2020] for tensor decomposition of images (while being orders of magnitude faster) and finds efficient tensor network structures to compress neural networks outperforming popular TT based approaches [Novikov et al., 2015].

In this paper our objectives are, first, networks that can embed audio and visual inputs into a common space that is suitable for cross-modal retrieval; and second, a network that can localize the object that sounds in an image, given the audio signal. We achieve both these objectives by training from unlabelled video using only audio-visual correspondence (AVC) as the objective function. This is a form of cross-modal self-supervision from video. To this end, we design new network architectures that can be trained for cross-modal retrieval and localizing the sound source in an image, by using the AVC task. We make the following contributions: (i) show that audio and visual embeddings can be learnt that enable both within-mode (e.g. audio-to-audio) and between-mode retrieval; (ii) explore various architectures for the AVC task, including those for the visual stream that ingest a single image, or multiple images, or a single image and multi-frame optical flow; (iii) show that the semantic object that sounds within an image can be localized (using only the sound, no motion or flow information); and (iv) give a cautionary tale on how to avoid undesirable shortcuts in the data preparation.

We propose a new family of policy gradient methods for reinforcement learning, which alternate between sampling data through interaction with the environment, and optimizing a "surrogate" objective function using stochastic gradient ascent. Whereas standard policy gradient methods perform one gradient update per data sample, we propose a novel objective function that enables multiple epochs of minibatch updates. The new methods, which we call proximal policy optimization (PPO), have some of the benefits of trust region policy optimization (TRPO), but they are much simpler to implement, more general, and have better sample complexity (empirically). Our experiments test PPO on a collection of benchmark tasks, including simulated robotic locomotion and Atari game playing, and we show that PPO outperforms other online policy gradient methods, and overall strikes a favorable balance between sample complexity, simplicity, and wall-time.

Recent works have shown that deep neural networks are vulnerable to adversarial examples that find samples close to the original image but can make the model misclassify. Even with access only to the model's output, an attacker can employ black-box attacks to generate such adversarial examples. In this work, we propose a simple and lightweight defense against black-box attacks by adding random noise to hidden features at intermediate layers of the model at inference time. Our theoretical analysis confirms that this method effectively enhances the model's resilience against both score-based and decision-based black-box attacks. Importantly, our defense does not necessitate adversarial training and has minimal impact on accuracy, rendering it applicable to any pre-trained model. Our analysis also reveals the significance of selectively adding noise to different parts of the model based on the gradient of the adversarial objective function, which can be varied during the attack. We demonstrate the robustness of our defense against multiple black-box attacks through extensive empirical experiments involving diverse models with various architectures.

This paper introduces AIM, a collection of vision models pre-trained with an autoregressive objective. These models are inspired by their textual counterparts, i.e., Large Language Models (LLMs), and exhibit similar scaling properties. Specifically, we highlight two key findings: (1) the performance of the visual features scale with both the model capacity and the quantity of data, (2) the value of the objective function correlates with the performance of the model on downstream tasks. We illustrate the practical implication of these findings by pre-training a 7 billion parameter AIM on 2 billion images, that achieves 84.0% on ImageNet-1k with a frozen trunk. Interestingly, even at this scale, we observe no sign of saturation in performance, suggesting that AIM potentially represents a new frontier for training large-scale vision models. The pre-training of AIM is similar to the pre-training of LLMs, and does not require any image-specific strategy to stabilize the training at scale.

AI is undergoing a paradigm shift, with breakthroughs achieved by systems orchestrating multiple large language models (LLMs) and other complex components. As a result, developing principled and automated optimization methods for compound AI systems is one of the most important new challenges. Neural networks faced a similar challenge in its early days until backpropagation and automatic differentiation transformed the field by making optimization turn-key. Inspired by this, we introduce TextGrad, a powerful framework performing automatic ``differentiation'' via text. TextGrad backpropagates textual feedback provided by LLMs to improve individual components of a compound AI system. In our framework, LLMs provide rich, general, natural language suggestions to optimize variables in computation graphs, ranging from code snippets to molecular structures. TextGrad follows PyTorch's syntax and abstraction and is flexible and easy-to-use. It works out-of-the-box for a variety of tasks, where the users only provide the objective function without tuning components or prompts of the framework. We showcase TextGrad's effectiveness and generality across a diverse range of applications, from question answering and molecule optimization to radiotherapy treatment planning. Without modifying the framework, TextGrad improves the zero-shot accuracy of GPT-4o in Google-Proof Question Answering from 51% to 55%, yields 20% relative performance gain in optimizing LeetCode-Hard coding problem solutions, improves prompts for reasoning, designs new druglike small molecules with desirable in silico binding, and designs radiation oncology treatment plans with high specificity. TextGrad lays a foundation to accelerate the development of the next-generation of AI systems.

Legged robots navigating cluttered environments must be jointly agile for efficient task execution and safe to avoid collisions with obstacles or humans. Existing studies either develop conservative controllers (< 1.0 m/s) to ensure safety, or focus on agility without considering potentially fatal collisions. This paper introduces Agile But Safe (ABS), a learning-based control framework that enables agile and collision-free locomotion for quadrupedal robots. ABS involves an agile policy to execute agile motor skills amidst obstacles and a recovery policy to prevent failures, collaboratively achieving high-speed and collision-free navigation. The policy switch in ABS is governed by a learned control-theoretic reach-avoid value network, which also guides the recovery policy as an objective function, thereby safeguarding the robot in a closed loop. The training process involves the learning of the agile policy, the reach-avoid value network, the recovery policy, and an exteroception representation network, all in simulation. These trained modules can be directly deployed in the real world with onboard sensing and computation, leading to high-speed and collision-free navigation in confined indoor and outdoor spaces with both static and dynamic obstacles.

Text-to-image (T2I) diffusion models have demonstrated impressive capabilities in generating high-quality images given a text prompt. However, ensuring the prompt-image alignment remains a considerable challenge, i.e., generating images that faithfully align with the prompt's semantics. Recent works attempt to improve the faithfulness by optimizing the latent code, which potentially could cause the latent code to go out-of-distribution and thus produce unrealistic images. In this paper, we propose FRAP, a simple, yet effective approach based on adaptively adjusting the per-token prompt weights to improve prompt-image alignment and authenticity of the generated images. We design an online algorithm to adaptively update each token's weight coefficient, which is achieved by minimizing a unified objective function that encourages object presence and the binding of object-modifier pairs. Through extensive evaluations, we show FRAP generates images with significantly higher prompt-image alignment to prompts from complex datasets, while having a lower average latency compared to recent latent code optimization methods, e.g., 4 seconds faster than D&B on the COCO-Subject dataset. Furthermore, through visual comparisons and evaluation on the CLIP-IQA-Real metric, we show that FRAP not only improves prompt-image alignment but also generates more authentic images with realistic appearances. We also explore combining FRAP with prompt rewriting LLM to recover their degraded prompt-image alignment, where we observe improvements in both prompt-image alignment and image quality.

We investigate the training of sparse layers that use different parameters for different inputs based on hashing in large Transformer models. Specifically, we modify the feedforward layer to hash to different sets of weights depending on the current token, over all tokens in the sequence. We show that this procedure either outperforms or is competitive with learning-to-route mixture-of-expert methods such as Switch Transformers and BASE Layers, while requiring no routing parameters or extra terms in the objective function such as a load balancing loss, and no sophisticated assignment algorithm. We study the performance of different hashing techniques, hash sizes and input features, and show that balanced and random hashes focused on the most local features work best, compared to either learning clusters or using longer-range context. We show our approach works well both on large language modeling and dialogue tasks, and on downstream fine-tuning tasks.

Mixture-of-Experts large language models (MoE-LLMs) marks a significant step forward of language models, however, they encounter two critical challenges in practice: 1) expert parameters lead to considerable memory consumption and loading latency; and 2) the current activated experts are redundant, as many tokens may only require a single expert. Motivated by these issues, we investigate the MoE-LLMs and make two key observations: a) different experts exhibit varying behaviors on activation reconstruction error, routing scores, and activated frequencies, highlighting their differing importance, and b) not all tokens are equally important -- only a small subset is critical. Building on these insights, we propose MC-MoE, a training-free Mixture-Compressor for MoE-LLMs, which leverages the significance of both experts and tokens to achieve an extreme compression. First, to mitigate storage and loading overheads, we introduce Pre-Loading Mixed-Precision Quantization, which formulates the adaptive bit-width allocation as a Linear Programming problem, where the objective function balances multi-factors reflecting the importance of each expert. Additionally, we develop Online Dynamic Pruning, which identifies important tokens to retain and dynamically select activated experts for other tokens during inference to optimize efficiency while maintaining performance. Our MC-MoE integrates static quantization and dynamic pruning to collaboratively achieve extreme compression for MoE-LLMs with less accuracy loss, ensuring an optimal trade-off between performance and efficiency. Extensive experiments confirm the effectiveness of our approach. For instance, at 2.54 bits, MC-MoE compresses 76.6% of the model, with only a 3.8% average accuracy loss. During dynamic inference, we further reduce activated parameters by 15%, with a performance drop of less than 0.6%.

End-to-end autonomous driving aims to build a fully differentiable system that takes raw sensor data as inputs and directly outputs the planned trajectory or control signals of the ego vehicle. State-of-the-art methods usually follow the `Teacher-Student' paradigm. The Teacher model uses privileged information (ground-truth states of surrounding agents and map elements) to learn the driving strategy. The student model only has access to raw sensor data and conducts behavior cloning on the data collected by the teacher model. By eliminating the noise of the perception part during planning learning, state-of-the-art works could achieve better performance with significantly less data compared to those coupled ones. However, under the current Teacher-Student paradigm, the student model still needs to learn a planning head from scratch, which could be challenging due to the redundant and noisy nature of raw sensor inputs and the casual confusion issue of behavior cloning. In this work, we aim to explore the possibility of directly adopting the strong teacher model to conduct planning while letting the student model focus more on the perception part. We find that even equipped with a SOTA perception model, directly letting the student model learn the required inputs of the teacher model leads to poor driving performance, which comes from the large distribution gap between predicted privileged inputs and the ground-truth. To this end, we propose DriveAdapter, which employs adapters with the feature alignment objective function between the student (perception) and teacher (planning) modules. Additionally, since the pure learning-based teacher model itself is imperfect and occasionally breaks safety rules, we propose a method of action-guided feature learning with a mask for those imperfect teacher features to further inject the priors of hand-crafted rules into the learning process.

Recent methods for knowledge grounded dialogs generate responses by incorporating information from an external textual document. These methods do not require the exact document to be known during training and rely on the use of a retrieval system to fetch relevant documents from a large index. The documents used to generate the responses are modeled as latent variables whose prior probabilities need to be estimated. Models such as RAG and REALM, marginalize the document probabilities over the documents retrieved from the index to define the log likelihood loss function which is optimized end-to-end. In this paper, we develop a variational approach to the above technique wherein, we instead maximize the Evidence Lower bound (ELBO). Using a collection of three publicly available open-conversation datasets, we demonstrate how the posterior distribution, that has information from the ground-truth response, allows for a better approximation of the objective function during training. To overcome the challenges associated with sampling over a large knowledge collection, we develop an efficient approach to approximate the ELBO. To the best of our knowledge we are the first to apply variational training for open-scale unsupervised knowledge grounded dialog systems.

In this paper, we propose a novel method for a sentence-level answer-selection task that is a fundamental problem in natural language processing. First, we explore the effect of additional information by adopting a pretrained language model to compute the vector representation of the input text and by applying transfer learning from a large-scale corpus. Second, we enhance the compare-aggregate model by proposing a novel latent clustering method to compute additional information within the target corpus and by changing the objective function from listwise to pointwise. To evaluate the performance of the proposed approaches, experiments are performed with the WikiQA and TREC-QA datasets. The empirical results demonstrate the superiority of our proposed approach, which achieve state-of-the-art performance for both datasets.

MixUp is a recently proposed data-augmentation scheme, which linearly interpolates a random pair of training examples and correspondingly the one-hot representations of their labels. Training deep neural networks with such additional data is shown capable of significantly improving the predictive accuracy of the current art. The power of MixUp, however, is primarily established empirically and its working and effectiveness have not been explained in any depth. In this paper, we develop an understanding for MixUp as a form of "out-of-manifold regularization", which imposes certain "local linearity" constraints on the model's input space beyond the data manifold. This analysis enables us to identify a limitation of MixUp, which we call "manifold intrusion". In a nutshell, manifold intrusion in MixUp is a form of under-fitting resulting from conflicts between the synthetic labels of the mixed-up examples and the labels of original training data. Such a phenomenon usually happens when the parameters controlling the generation of mixing policies are not sufficiently fine-tuned on the training data. To address this issue, we propose a novel adaptive version of MixUp, where the mixing policies are automatically learned from the data using an additional network and objective function designed to avoid manifold intrusion. The proposed regularizer, AdaMixUp, is empirically evaluated on several benchmark datasets. Extensive experiments demonstrate that AdaMixUp improves upon MixUp when applied to the current art of deep classification models.

Rapid progress in machine learning and artificial intelligence (AI) has brought increasing attention to the potential impacts of AI technologies on society. In this paper we discuss one such potential impact: the problem of accidents in machine learning systems, defined as unintended and harmful behavior that may emerge from poor design of real-world AI systems. We present a list of five practical research problems related to accident risk, categorized according to whether the problem originates from having the wrong objective function ("avoiding side effects" and "avoiding reward hacking"), an objective function that is too expensive to evaluate frequently ("scalable supervision"), or undesirable behavior during the learning process ("safe exploration" and "distributional shift"). We review previous work in these areas as well as suggesting research directions with a focus on relevance to cutting-edge AI systems. Finally, we consider the high-level question of how to think most productively about the safety of forward-looking applications of AI.

Distributed optimization problems usually face inexact communication issues induced by communication quantization, differential privacy protection, or channels noise. Most existing algorithms need two-timescale setting of the stepsize of gradient descent and the parameter of noise suppression to ensure the convergence to the optimal solution. In this paper, we propose two single-timescale algorithms, VRA-DGT and VRA--DSGT, for distributed deterministic and stochastic optimization problems with inexact communication respectively. VRA-DGT integrates the Variance-Reduced Aggregation (VRA) mechanism with the distributed gradient tracking framework, which achieves a convergence rate of Oleft(k^{-1}right) in the mean-square sense when the objective function is strongly convex and smooth. For distributed stochastic optimization problem,VRA-DSGT, where a hybrid variance reduction technique has been introduced in VRA-DGT, VRA-DGT,, maintains the convergence rate of Oleft(k^{-1}right) for strongly convex and smooth objective function. Simulated experiments on logistic regression problem with real-world data verify the effectiveness of the proposed algorithms.

The Large Vision Language Model (VLM) has recently addressed remarkable progress in bridging two fundamental modalities. VLM, trained by a sufficiently large dataset, exhibits a comprehensive understanding of both visual and linguistic to perform diverse tasks. To distill this knowledge accurately, in this paper, we introduce a novel approach that explicitly utilizes VLM as an objective function form for the Human-Object Interaction (HOI) detection task (VLM-HOI). Specifically, we propose a method that quantifies the similarity of the predicted HOI triplet using the Image-Text matching technique. We represent HOI triplets linguistically to fully utilize the language comprehension of VLMs, which are more suitable than CLIP models due to their localization and object-centric nature. This matching score is used as an objective for contrastive optimization. To our knowledge, this is the first utilization of VLM language abilities for HOI detection. Experiments demonstrate the effectiveness of our method, achieving state-of-the-art HOI detection accuracy on benchmarks. We believe integrating VLMs into HOI detection represents important progress towards more advanced and interpretable analysis of human-object interactions.

With significant advancements in diffusion models, addressing the potential risks of dataset bias becomes increasingly important. Since generated outputs directly suffer from dataset bias, mitigating latent bias becomes a key factor in improving sample quality and proportion. This paper proposes time-dependent importance reweighting to mitigate the bias for the diffusion models. We demonstrate that the time-dependent density ratio becomes more precise than previous approaches, thereby minimizing error propagation in generative learning. While directly applying it to score-matching is intractable, we discover that using the time-dependent density ratio both for reweighting and score correction can lead to a tractable form of the objective function to regenerate the unbiased data density. Furthermore, we theoretically establish a connection with traditional score-matching, and we demonstrate its convergence to an unbiased distribution. The experimental evidence supports the usefulness of the proposed method, which outperforms baselines including time-independent importance reweighting on CIFAR-10, CIFAR-100, FFHQ, and CelebA with various bias settings. Our code is available at https://github.com/alsdudrla10/TIW-DSM.

As a technique to bridge logit matching and probability distribution matching, temperature scaling plays a pivotal role in knowledge distillation (KD). Conventionally, temperature scaling is applied to both teacher's logits and student's logits in KD. Motivated by some recent works, in this paper, we drop instead temperature scaling on the student side, and systematically study the resulting variant of KD, dubbed transformed teacher matching (TTM). By reinterpreting temperature scaling as a power transform of probability distribution, we show that in comparison with the original KD, TTM has an inherent R\'enyi entropy term in its objective function, which serves as an extra regularization term. Extensive experiment results demonstrate that thanks to this inherent regularization, TTM leads to trained students with better generalization than the original KD. To further enhance student's capability to match teacher's power transformed probability distribution, we introduce a sample-adaptive weighting coefficient into TTM, yielding a novel distillation approach dubbed weighted TTM (WTTM). It is shown, by comprehensive experiments, that although WTTM is simple, it is effective, improves upon TTM, and achieves state-of-the-art accuracy performance. Our source code is available at https://github.com/zkxufo/TTM.

As a sub-discipline of evolutionary and computational linguistics, emergent communication (EC) studies communication protocols, called emergent languages, arising in simulations where agents communicate. A key goal of EC is to give rise to languages that share statistical properties with natural languages. In this paper, we reinterpret Lewis's signaling game, a frequently used setting in EC, as beta-VAE and reformulate its objective function as ELBO. Consequently, we clarify the existence of prior distributions of emergent languages and show that the choice of the priors can influence their statistical properties. Specifically, we address the properties of word lengths and segmentation, known as Zipf's law of abbreviation (ZLA) and Harris's articulation scheme (HAS), respectively. It has been reported that the emergent languages do not follow them when using the conventional objective. We experimentally demonstrate that by selecting an appropriate prior distribution, more natural segments emerge, while suggesting that the conventional one prevents the languages from following ZLA and HAS.

The introduction of the transformer architecture and the self-attention mechanism has led to an explosive production of language models trained on specific downstream tasks and data domains. With over 200, 000 models in the Hugging Face ecosystem, users grapple with selecting and optimizing models to suit multifaceted workflows and data domains while addressing computational, security, and recency concerns. There is an urgent need for machine learning frameworks that can eliminate the burden of model selection and customization and unleash the incredible power of the vast emerging model library for end users. Here, we propose a context-aware routing system, Tryage, that leverages a language model router for optimal selection of expert models from a model library based on analysis of individual input prompts. Inspired by the thalamic router in the brain, Tryage employs a perceptive router to predict down-stream model performance on prompts and, then, makes a routing decision using an objective function that integrates performance predictions with user goals and constraints that are incorporated through flags (e.g., model size, model recency). Tryage allows users to explore a Pareto front and automatically trade-off between task accuracy and secondary goals including minimization of model size, recency, security, verbosity, and readability. Across heterogeneous data sets that include code, text, clinical data, and patents, the Tryage framework surpasses Gorilla and GPT3.5 turbo in dynamic model selection identifying the optimal model with an accuracy of 50.9% , compared to 23.6% by GPT 3.5 Turbo and 10.8% by Gorilla. Conceptually, Tryage demonstrates how routing models can be applied to program and control the behavior of multi-model LLM systems to maximize efficient use of the expanding and evolving language model ecosystem.

Language models trained on large-scale corpora can generate remarkably fluent results in open-domain dialogue. However, for the persona-based dialogue generation task, consistency and coherence are also key factors, which are great challenges for language models. Existing works mainly focus on valuable data filtering, model structure modifying, or objective function designing, while their improvements are limited and hard to generalize to all types of pre-trained language models. However, we find that language models can produce consistent and coherent responses if we consider enough generations. Thus, the problems lay in large-scale response generation and target response selection. In this work, a simple but effective two-stage SimOAP strategy is proposed, i.e., over-sampling and post-evaluation. The over-sampling stage takes large-scale responses from existing trained models efficiently via off-the-shelf distilling and compressing methods, and the post-evaluation stage selects a good response based on multiple well-designed evaluation metrics from large-scale candidates. Experimental results show that the proposed plug-in SimOAP strategy improves the backbone models and outperforms the baseline strategies in both automatic and human evaluations.

Multi-vector retrieval models such as ColBERT [Khattab and Zaharia, 2020] allow token-level interactions between queries and documents, and hence achieve state of the art on many information retrieval benchmarks. However, their non-linear scoring function cannot be scaled to millions of documents, necessitating a three-stage process for inference: retrieving initial candidates via token retrieval, accessing all token vectors, and scoring the initial candidate documents. The non-linear scoring function is applied over all token vectors of each candidate document, making the inference process complicated and slow. In this paper, we aim to simplify the multi-vector retrieval by rethinking the role of token retrieval. We present XTR, ConteXtualized Token Retriever, which introduces a simple, yet novel, objective function that encourages the model to retrieve the most important document tokens first. The improvement to token retrieval allows XTR to rank candidates only using the retrieved tokens rather than all tokens in the document, and enables a newly designed scoring stage that is two-to-three orders of magnitude cheaper than that of ColBERT. On the popular BEIR benchmark, XTR advances the state-of-the-art by 2.8 nDCG@10 without any distillation. Detailed analysis confirms our decision to revisit the token retrieval stage, as XTR demonstrates much better recall of the token retrieval stage compared to ColBERT.

Seed area generation is usually the starting point of weakly supervised semantic segmentation (WSSS). Computing the Class Activation Map (CAM) from a multi-label classification network is the de facto paradigm for seed area generation, but CAMs generated from Convolutional Neural Networks (CNNs) and Transformers are prone to be under- and over-activated, respectively, which makes the strategies to refine CAMs for CNNs usually inappropriate for Transformers, and vice versa. In this paper, we propose a Unified optimization paradigm for Seed Area GEneration (USAGE) for both types of networks, in which the objective function to be optimized consists of two terms: One is a generation loss, which controls the shape of seed areas by a temperature parameter following a deterministic principle for different types of networks; The other is a regularization loss, which ensures the consistency between the seed areas that are generated by self-adaptive network adjustment from different views, to overturn false activation in seed areas. Experimental results show that USAGE consistently improves seed area generation for both CNNs and Transformers by large margins, e.g., outperforming state-of-the-art methods by a mIoU of 4.1% on PASCAL VOC. Moreover, based on the USAGE-generated seed areas on Transformers, we achieve state-of-the-art WSSS results on both PASCAL VOC and MS COCO.

We consider the optimization problem of the form min_{x in R^d} f(x) triangleq E_{xi} [F(x; xi)], where the component F(x;xi) is L-mean-squared Lipschitz but possibly nonconvex and nonsmooth. The recently proposed gradient-free method requires at most O( L^4 d^{3/2} epsilon^{-4} + Delta L^3 d^{3/2} delta^{-1} epsilon^{-4}) stochastic zeroth-order oracle complexity to find a (delta,epsilon)-Goldstein stationary point of objective function, where Delta = f(x_0) - inf_{x in R^d} f(x) and x_0 is the initial point of the algorithm. This paper proposes a more efficient algorithm using stochastic recursive gradient estimators, which improves the complexity to O(L^3 d^{3/2} epsilon^{-3}+ Delta L^2 d^{3/2} delta^{-1} epsilon^{-3}).

Mixup is an efficient data augmentation approach that improves the generalization of neural networks by smoothing the decision boundary with mixed data. Recently, dynamic mixup methods have improved previous static policies effectively (e.g., linear interpolation) by maximizing target-related salient regions in mixed samples, but excessive additional time costs are not acceptable. These additional computational overheads mainly come from optimizing the mixed samples according to the mixed labels. However, we found that the extra optimizing step may be redundant because label-mismatched mixed samples are informative hard mixed samples for deep models to localize discriminative features. In this paper, we thus are not trying to propose a more complicated dynamic mixup policy but rather an efficient mixup objective function with a decoupled regularizer named Decoupled Mixup (DM). The primary effect is that DM can adaptively utilize those hard mixed samples to mine discriminative features without losing the original smoothness of mixup. As a result, DM enables static mixup methods to achieve comparable or even exceed the performance of dynamic methods without any extra computation. This also leads to an interesting objective design problem for mixup training that we need to focus on both smoothing the decision boundaries and identifying discriminative features. Extensive experiments on supervised and semi-supervised learning benchmarks across seven datasets validate the effectiveness of DM as a plug-and-play module. Source code and models are available at https://github.com/Westlake-AI/openmixup

Bias in training datasets must be managed for various groups in classification tasks to ensure parity or equal treatment. With the recent growth in artificial intelligence models and their expanding role in automated decision-making, ensuring that these models are not biased is vital. There is an abundance of evidence suggesting that these models could contain or even amplify the bias present in the data on which they are trained, inherent to their objective function and learning algorithms; Many researchers direct their attention to this issue in different directions, namely, changing data to be statistically independent, adversarial training for restricting the capabilities of a particular competitor who aims to maximize parity, etc. These methods result in information loss and do not provide a suitable balance between accuracy and fairness or do not ensure limiting the biases in training. To this end, we propose a powerful strategy for training deep learning models called the Distraction module, which can be theoretically proven effective in controlling bias from affecting the classification results. This method can be utilized with different data types (e.g., Tabular, images, graphs, etc.). We demonstrate the potency of the proposed method by testing it on UCI Adult and Heritage Health datasets (tabular), POKEC-Z, POKEC-N and NBA datasets (graph), and CelebA dataset (vision). Using state-of-the-art methods proposed in the fairness literature for each dataset, we exhibit our model is superior to these proposed methods in minimizing bias and maintaining accuracy.

Recent advancements in text-to-video (T2V) generative models have shown impressive capabilities. However, these models are still inadequate in aligning synthesized videos with human preferences (e.g., accurately reflecting text descriptions), which is particularly difficult to address, as human preferences are inherently subjective and challenging to formalize as objective functions. Therefore, this paper proposes LiFT, a novel fine-tuning method leveraging human feedback for T2V model alignment. Specifically, we first construct a Human Rating Annotation dataset, LiFT-HRA, consisting of approximately 10k human annotations, each including a score and its corresponding rationale. Based on this, we train a reward model LiFT-Critic to learn reward function effectively, which serves as a proxy for human judgment, measuring the alignment between given videos and human expectations. Lastly, we leverage the learned reward function to align the T2V model by maximizing the reward-weighted likelihood. As a case study, we apply our pipeline to CogVideoX-2B, showing that the fine-tuned model outperforms the CogVideoX-5B across all 16 metrics, highlighting the potential of human feedback in improving the alignment and quality of synthesized videos.

Knowledge distillation (KD) is widely used for compressing a teacher model to a smaller student model, reducing its inference cost and memory footprint while preserving model capabilities. However, current KD methods for auto-regressive sequence models (e.g., large language models) suffer from missing a standardized objective function. Moreover, the recent use of student-generated outputs to address training-inference mismatches has significantly escalated computational costs. To tackle these issues, we introduce DistiLLM, a more effective and efficient KD framework for auto-regressive language models. DistiLLM comprises two components: (1) a novel skew Kullback-Leibler divergence loss, where we unveil and leverage its theoretical properties, and (2) an adaptive off-policy approach designed to enhance the efficiency in utilizing student-generated outputs. Extensive experiments, including instruction-following tasks, demonstrate the effectiveness of DistiLLM in building high-performing student models while achieving up to 4.3times speedup compared to recent KD methods.

Accelerating material discovery holds the potential to greatly help mitigate the climate crisis. Discovering new solid-state materials such as electrocatalysts, super-ionic conductors or photovoltaic materials can have a crucial impact, for instance, in improving the efficiency of renewable energy production and storage. In this paper, we introduce Crystal-GFN, a generative model of crystal structures that sequentially samples structural properties of crystalline materials, namely the space group, composition and lattice parameters. This domain-inspired approach enables the flexible incorporation of physical and structural hard constraints, as well as the use of any available predictive model of a desired physicochemical property as an objective function. To design stable materials, one must target the candidates with the lowest formation energy. Here, we use as objective the formation energy per atom of a crystal structure predicted by a new proxy machine learning model trained on MatBench. The results demonstrate that Crystal-GFN is able to sample highly diverse crystals with low (median -3.1 eV/atom) predicted formation energy.

Tensor network (TN) is a powerful framework in machine learning, but selecting a good TN model, known as TN structure search (TN-SS), is a challenging and computationally intensive task. The recent approach TNLS~li2022permutation showed promising results for this task, however, its computational efficiency is still unaffordable, requiring too many evaluations of the objective function. We propose TnALE, a new algorithm that updates each structure-related variable alternately by local enumeration, greatly reducing the number of evaluations compared to TNLS. We theoretically investigate the descent steps for TNLS and TnALE, proving that both algorithms can achieve linear convergence up to a constant if a sufficient reduction of the objective is reached in each neighborhood. We also compare the evaluation efficiency of TNLS and TnALE, revealing that Omega(2^N) evaluations are typically required in TNLS for reaching the objective reduction in the neighborhood, while ideally O(N^2R) evaluations are sufficient in TnALE, where N denotes the tensor order and R reflects the ``low-rankness'' of the neighborhood. Experimental results verify that TnALE can find practically good TN-ranks and permutations with vastly fewer evaluations than the state-of-the-art algorithms.

Deep Neural Network (DNN) is powerful but computationally expensive and memory intensive, thus impeding its practical usage on resource-constrained front-end devices. DNN pruning is an approach for deep model compression, which aims at eliminating some parameters with tolerable performance degradation. In this paper, we propose a novel momentum-SGD-based optimization method to reduce the network complexity by on-the-fly pruning. Concretely, given a global compression ratio, we categorize all the parameters into two parts at each training iteration which are updated using different rules. In this way, we gradually zero out the redundant parameters, as we update them using only the ordinary weight decay but no gradients derived from the objective function. As a departure from prior methods that require heavy human works to tune the layer-wise sparsity ratios, prune by solving complicated non-differentiable problems or finetune the model after pruning, our method is characterized by 1) global compression that automatically finds the appropriate per-layer sparsity ratios; 2) end-to-end training; 3) no need for a time-consuming re-training process after pruning; and 4) superior capability to find better winning tickets which have won the initialization lottery.

Processing large point clouds is a challenging task. Therefore, the data is often sampled to a size that can be processed more easily. The question is how to sample the data? A popular sampling technique is Farthest Point Sampling (FPS). However, FPS is agnostic to a downstream application (classification, retrieval, etc.). The underlying assumption seems to be that minimizing the farthest point distance, as done by FPS, is a good proxy to other objective functions. We show that it is better to learn how to sample. To do that, we propose a deep network to simplify 3D point clouds. The network, termed S-NET, takes a point cloud and produces a smaller point cloud that is optimized for a particular task. The simplified point cloud is not guaranteed to be a subset of the original point cloud. Therefore, we match it to a subset of the original points in a post-processing step. We contrast our approach with FPS by experimenting on two standard data sets and show significantly better results for a variety of applications. Our code is publicly available at: https://github.com/orendv/learning_to_sample

Knowledge distillation plays a key role in compressing the Large Language Models (LLMs), which boosts a small-size student model under large teacher models' guidance. However, existing LLM distillation methods overly rely on student-generated outputs, which may introduce generation errors and misguide the distillation process. Moreover, the distillation loss functions introduced in previous art struggle to align the most informative part due to the complex distribution of LLMs' outputs. To address these problems, we propose a multi-granularity semantic revision method for LLM distillation. At the sequence level, we propose a sequence correction and re-generation (SCRG) strategy. SCRG first calculates the semantic cognitive difference between the teacher and student to detect the error token, then corrects it with the teacher-generated one, and re-generates the sequence to reduce generation errors and enhance generation diversity. At the token level, we design a distribution adaptive clipping Kullback-Leibler (DAC-KL) loss as the distillation objective function. DAC-KL loss exploits a learnable sub-network to adaptively extract semantically dense areas from the teacher's output, avoiding the interference of redundant information in the distillation process. Finally, at the span level, we leverage the span priors of a sequence to compute the probability correlations within spans, and constrain the teacher and student's probability correlations to be consistent, further enhancing the transfer of semantic information. Extensive experiments across different model families with parameters ranging from 0.1B to 13B demonstrate the superiority of our method compared to existing methods.

Adaptive optimization methods are widely recognized as among the most popular approaches for training Deep Neural Networks (DNNs). Techniques such as Adam, AdaGrad, and AdaHessian utilize a preconditioner that modifies the search direction by incorporating information about the curvature of the objective function. However, despite their adaptive characteristics, these methods still require manual fine-tuning of the step-size. This, in turn, impacts the time required to solve a particular problem. This paper presents an optimization framework named SANIA to tackle these challenges. Beyond eliminating the need for manual step-size hyperparameter settings, SANIA incorporates techniques to address poorly scaled or ill-conditioned problems. We also explore several preconditioning methods, including Hutchinson's method, which approximates the Hessian diagonal of the loss function. We conclude with an extensive empirical examination of the proposed techniques across classification tasks, covering both convex and non-convex contexts.

Federated optimization studies the problem of collaborative function optimization among multiple clients (e.g. mobile devices or organizations) under the coordination of a central server. Since the data is collected separately by each client and always remains decentralized, federated optimization preserves data privacy and allows for large-scale computing, which makes it a promising decentralized machine learning paradigm. Though it is often deployed for tasks that are online in nature, e.g., next-word prediction on keyboard apps, most works formulate it as an offline problem. The few exceptions that consider federated bandit optimization are limited to very simplistic function classes, e.g., linear, generalized linear, or non-parametric function class with bounded RKHS norm, which severely hinders its practical usage. In this paper, we propose a new algorithm, named Fed-GO-UCB, for federated bandit optimization with generic non-linear objective function. Under some mild conditions, we rigorously prove that Fed-GO-UCB is able to achieve sub-linear rate for both cumulative regret and communication cost. At the heart of our theoretical analysis are distributed regression oracle and individual confidence set construction, which can be of independent interests. Empirical evaluations also demonstrate the effectiveness of the proposed algorithm.

One prominent approach toward resolving the adversarial vulnerability of deep neural networks is the two-player zero-sum paradigm of adversarial training, in which predictors are trained against adversarially chosen perturbations of data. Despite the promise of this approach, algorithms based on this paradigm have not engendered sufficient levels of robustness and suffer from pathological behavior like robust overfitting. To understand this shortcoming, we first show that the commonly used surrogate-based relaxation used in adversarial training algorithms voids all guarantees on the robustness of trained classifiers. The identification of this pitfall informs a novel non-zero-sum bilevel formulation of adversarial training, wherein each player optimizes a different objective function. Our formulation yields a simple algorithmic framework that matches and in some cases outperforms state-of-the-art attacks, attains comparable levels of robustness to standard adversarial training algorithms, and does not suffer from robust overfitting.

Attention-based neural networks such as transformers have demonstrated a remarkable ability to exhibit in-context learning (ICL): Given a short prompt sequence of tokens from an unseen task, they can formulate relevant per-token and next-token predictions without any parameter updates. By embedding a sequence of labeled training data and unlabeled test data as a prompt, this allows for transformers to behave like supervised learning algorithms. Indeed, recent work has shown that when training transformer architectures over random instances of linear regression problems, these models' predictions mimic those of ordinary least squares. Towards understanding the mechanisms underlying this phenomenon, we investigate the dynamics of ICL in transformers with a single linear self-attention layer trained by gradient flow on linear regression tasks. We show that despite non-convexity, gradient flow with a suitable random initialization finds a global minimum of the objective function. At this global minimum, when given a test prompt of labeled examples from a new prediction task, the transformer achieves prediction error competitive with the best linear predictor over the test prompt distribution. We additionally characterize the robustness of the trained transformer to a variety of distribution shifts and show that although a number of shifts are tolerated, shifts in the covariate distribution of the prompts are not. Motivated by this, we consider a generalized ICL setting where the covariate distributions can vary across prompts. We show that although gradient flow succeeds at finding a global minimum in this setting, the trained transformer is still brittle under mild covariate shifts. We complement this finding with experiments on large, nonlinear transformer architectures which we show are more robust under covariate shifts.

In this paper we provide a novel analytical perspective on the theoretical understanding of gradient-based learning algorithms by interpreting consensus-based optimization (CBO), a recently proposed multi-particle derivative-free optimization method, as a stochastic relaxation of gradient descent. Remarkably, we observe that through communication of the particles, CBO exhibits a stochastic gradient descent (SGD)-like behavior despite solely relying on evaluations of the objective function. The fundamental value of such link between CBO and SGD lies in the fact that CBO is provably globally convergent to global minimizers for ample classes of nonsmooth and nonconvex objective functions, hence, on the one side, offering a novel explanation for the success of stochastic relaxations of gradient descent. On the other side, contrary to the conventional wisdom for which zero-order methods ought to be inefficient or not to possess generalization abilities, our results unveil an intrinsic gradient descent nature of such heuristics. This viewpoint furthermore complements previous insights into the working principles of CBO, which describe the dynamics in the mean-field limit through a nonlinear nonlocal partial differential equation that allows to alleviate complexities of the nonconvex function landscape. Our proofs leverage a completely nonsmooth analysis, which combines a novel quantitative version of the Laplace principle (log-sum-exp trick) and the minimizing movement scheme (proximal iteration). In doing so, we furnish useful and precise insights that explain how stochastic perturbations of gradient descent overcome energy barriers and reach deep levels of nonconvex functions. Instructive numerical illustrations support the provided theoretical insights.

Solving partial differential equations (PDEs) is a central task in scientific computing. Recently, neural network approximation of PDEs has received increasing attention due to its flexible meshless discretization and its potential for high-dimensional problems. One fundamental numerical difficulty is that random samples in the training set introduce statistical errors into the discretization of loss functional which may become the dominant error in the final approximation, and therefore overshadow the modeling capability of the neural network. In this work, we propose a new minmax formulation to optimize simultaneously the approximate solution, given by a neural network model, and the random samples in the training set, provided by a deep generative model. The key idea is to use a deep generative model to adjust random samples in the training set such that the residual induced by the approximate PDE solution can maintain a smooth profile when it is being minimized. Such an idea is achieved by implicitly embedding the Wasserstein distance between the residual-induced distribution and the uniform distribution into the loss, which is then minimized together with the residual. A nearly uniform residual profile means that its variance is small for any normalized weight function such that the Monte Carlo approximation error of the loss functional is reduced significantly for a certain sample size. The adversarial adaptive sampling (AAS) approach proposed in this work is the first attempt to formulate two essential components, minimizing the residual and seeking the optimal training set, into one minmax objective functional for the neural network approximation of PDEs.

In machine learning applications, it is well known that carefully designed learning rate (step size) schedules can significantly improve the convergence of commonly used first-order optimization algorithms. Therefore how to set step size adaptively becomes an important research question. A popular and effective method is the Polyak step size, which sets step size adaptively for gradient descent or stochastic gradient descent without the need to estimate the smoothness parameter of the objective function. However, there has not been a principled way to generalize the Polyak step size for algorithms with momentum accelerations. This paper presents a general framework to set the learning rate adaptively for first-order optimization methods with momentum, motivated by the derivation of Polyak step size. It is shown that the resulting methods are much less sensitive to the choice of momentum parameter and may avoid the oscillation of the heavy-ball method on ill-conditioned problems. These adaptive step sizes are further extended to the stochastic settings, which are attractive choices for stochastic gradient descent with momentum. Our methods are demonstrated to be more effective for stochastic gradient methods than prior adaptive step size algorithms in large-scale machine learning tasks.

The higher-order correlation clustering problem is an expressive model, and recently, local search heuristics have been proposed for several applications. Certifying optimality, however, is NP-hard and practically hampered already by the complexity of the problem statement. Here, we focus on establishing partial optimality conditions for the special case of complete graphs and cubic objective functions. In addition, we define and implement algorithms for testing these conditions and examine their effect numerically, on two datasets.

Federated Learning (FL) is a machine learning paradigm that safeguards privacy by retaining client data on edge devices. However, optimizing FL in practice can be challenging due to the diverse and heterogeneous nature of the learning system. Though recent research has focused on improving the optimization of FL when distribution shifts occur among clients, ensuring global performance when multiple types of distribution shifts occur simultaneously among clients -- such as feature distribution shift, label distribution shift, and concept shift -- remain under-explored. In this paper, we identify the learning challenges posed by the simultaneous occurrence of diverse distribution shifts and propose a clustering principle to overcome these challenges. Through our research, we find that existing methods fail to address the clustering principle. Therefore, we propose a novel clustering algorithm framework, dubbed as FedRC, which adheres to our proposed clustering principle by incorporating a bi-level optimization problem and a novel objective function. Extensive experiments demonstrate that FedRC significantly outperforms other SOTA cluster-based FL methods. Our code is available at https://github.com/LINs-lab/FedRC.

Risk-sensitive reinforcement learning (RL) has become a popular tool to control the risk of uncertain outcomes and ensure reliable performance in various sequential decision-making problems. While policy gradient methods have been developed for risk-sensitive RL, it remains unclear if these methods enjoy the same global convergence guarantees as in the risk-neutral case. In this paper, we consider a class of dynamic time-consistent risk measures, called Expected Conditional Risk Measures (ECRMs), and derive policy gradient updates for ECRM-based objective functions. Under both constrained direct parameterization and unconstrained softmax parameterization, we provide global convergence and iteration complexities of the corresponding risk-averse policy gradient algorithms. We further test risk-averse variants of REINFORCE and actor-critic algorithms to demonstrate the efficacy of our method and the importance of risk control.

We introduce a Parametric Information Maximization (PIM) model for the Generalized Category Discovery (GCD) problem. Specifically, we propose a bi-level optimization formulation, which explores a parameterized family of objective functions, each evaluating a weighted mutual information between the features and the latent labels, subject to supervision constraints from the labeled samples. Our formulation mitigates the class-balance bias encoded in standard information maximization approaches, thereby handling effectively both short-tailed and long-tailed data sets. We report extensive experiments and comparisons demonstrating that our PIM model consistently sets new state-of-the-art performances in GCD across six different datasets, more so when dealing with challenging fine-grained problems.

In Novel Class Discovery (NCD), the goal is to find new classes in an unlabeled set given a labeled set of known but different classes. While NCD has recently gained attention from the community, no framework has yet been proposed for heterogeneous tabular data, despite being a very common representation of data. In this paper, we propose TabularNCD, a new method for discovering novel classes in tabular data. We show a way to extract knowledge from already known classes to guide the discovery process of novel classes in the context of tabular data which contains heterogeneous variables. A part of this process is done by a new method for defining pseudo labels, and we follow recent findings in Multi-Task Learning to optimize a joint objective function. Our method demonstrates that NCD is not only applicable to images but also to heterogeneous tabular data.

Bayesian neural networks (BNNs) have been an important framework in the study of uncertainty quantification. Deterministic variational inference, one of the inference methods, utilizes moment propagation to compute the predictive distributions and objective functions. Unfortunately, deriving the moments requires computationally expensive Taylor expansion in nonlinear functions, such as a rectified linear unit (ReLU) or a sigmoid function. Therefore, a new nonlinear function that realizes faster moment propagation than conventional functions is required. In this paper, we propose a novel nonlinear function named moment propagating-Gaussian error linear unit (MP-GELU) that enables the fast derivation of first and second moments in BNNs. MP-GELU enables the analytical computation of moments by applying nonlinearity to the input statistics, thereby reducing the computationally expensive calculations required for nonlinear functions. In empirical experiments on regression tasks, we observed that the proposed MP-GELU provides higher prediction accuracy and better quality of uncertainty with faster execution than those of ReLU-based BNNs.

In Novel Class Discovery (NCD), the goal is to find new classes in an unlabeled set given a labeled set of known but different classes. While NCD has recently gained attention from the community, no framework has yet been proposed for heterogeneous tabular data, despite being a very common representation of data. In this paper, we propose TabularNCD, a new method for discovering novel classes in tabular data. We show a way to extract knowledge from already known classes to guide the discovery process of novel classes in the context of tabular data which contains heterogeneous variables. A part of this process is done by a new method for defining pseudo labels, and we follow recent findings in Multi-Task Learning to optimize a joint objective function. Our method demonstrates that NCD is not only applicable to images but also to heterogeneous tabular data. Extensive experiments are conducted to evaluate our method and demonstrate its effectiveness against 3 competitors on 7 diverse public classification datasets.

Diffusion models learn to restore noisy data, which is corrupted with different levels of noise, by optimizing the weighted sum of the corresponding loss terms, i.e., denoising score matching loss. In this paper, we show that restoring data corrupted with certain noise levels offers a proper pretext task for the model to learn rich visual concepts. We propose to prioritize such noise levels over other levels during training, by redesigning the weighting scheme of the objective function. We show that our simple redesign of the weighting scheme significantly improves the performance of diffusion models regardless of the datasets, architectures, and sampling strategies.

Self-supervised learning (SSL) is a long-standing goal for speech processing, since it utilizes large-scale unlabeled data and avoids extensive human labeling. Recent years witness great successes in applying self-supervised learning in speech recognition, while limited exploration was attempted in applying SSL for modeling speaker characteristics. In this paper, we aim to improve the existing SSL framework for speaker representation learning. Two methods are introduced for enhancing the unsupervised speaker information extraction. First, we apply the multi-task learning to the current SSL framework, where we integrate the utterance-wise contrastive loss with the SSL objective function. Second, for better speaker discrimination, we propose an utterance mixing strategy for data augmentation, where additional overlapped utterances are created unsupervisely and incorporate during training. We integrate the proposed methods into the HuBERT framework. Experiment results on SUPERB benchmark show that the proposed system achieves state-of-the-art performance in universal representation learning, especially for speaker identification oriented tasks. An ablation study is performed verifying the efficacy of each proposed method. Finally, we scale up training dataset to 94 thousand hours public audio data and achieve further performance improvement in all SUPERB tasks.

We aim to identify how different components in the KD pipeline affect the resulting performance and how much the optimal KD pipeline varies across different datasets/tasks, such as the data augmentation policy, the loss function, and the intermediate representation for transferring the knowledge between teacher and student. To tease apart their effects, we propose Distiller, a meta KD framework that systematically combines a broad range of techniques across different stages of the KD pipeline, which enables us to quantify each component's contribution. Within Distiller, we unify commonly used objectives for distillation of intermediate representations under a universal mutual information (MI) objective and propose a class of MI-alpha objective functions with better bias/variance trade-off for estimating the MI between the teacher and the student. On a diverse set of NLP datasets, the best Distiller configurations are identified via large-scale hyperparameter optimization. Our experiments reveal the following: 1) the approach used to distill the intermediate representations is the most important factor in KD performance, 2) among different objectives for intermediate distillation, MI-alpha performs the best, and 3) data augmentation provides a large boost for small training datasets or small student networks. Moreover, we find that different datasets/tasks prefer different KD algorithms, and thus propose a simple AutoDistiller algorithm that can recommend a good KD pipeline for a new dataset.

The study on improving the robustness of deep neural networks against adversarial examples grows rapidly in recent years. Among them, adversarial training is the most promising one, which flattens the input loss landscape (loss change with respect to input) via training on adversarially perturbed examples. However, how the widely used weight loss landscape (loss change with respect to weight) performs in adversarial training is rarely explored. In this paper, we investigate the weight loss landscape from a new perspective, and identify a clear correlation between the flatness of weight loss landscape and robust generalization gap. Several well-recognized adversarial training improvements, such as early stopping, designing new objective functions, or leveraging unlabeled data, all implicitly flatten the weight loss landscape. Based on these observations, we propose a simple yet effective Adversarial Weight Perturbation (AWP) to explicitly regularize the flatness of weight loss landscape, forming a double-perturbation mechanism in the adversarial training framework that adversarially perturbs both inputs and weights. Extensive experiments demonstrate that AWP indeed brings flatter weight loss landscape and can be easily incorporated into various existing adversarial training methods to further boost their adversarial robustness.

Transformer-based NLP models are trained using hundreds of millions or even billions of parameters, limiting their applicability in computationally constrained environments. While the number of parameters generally correlates with performance, it is not clear whether the entire network is required for a downstream task. Motivated by the recent work on pruning and distilling pre-trained models, we explore strategies to drop layers in pre-trained models, and observe the effect of pruning on downstream GLUE tasks. We were able to prune BERT, RoBERTa and XLNet models up to 40%, while maintaining up to 98% of their original performance. Additionally we show that our pruned models are on par with those built using knowledge distillation, both in terms of size and performance. Our experiments yield interesting observations such as, (i) the lower layers are most critical to maintain downstream task performance, (ii) some tasks such as paraphrase detection and sentence similarity are more robust to the dropping of layers, and (iii) models trained using a different objective function exhibit different learning patterns and w.r.t the layer dropping.

While recent years have seen rapid progress in image-conditioned text generation, image captioning still suffers from the fundamental issue of hallucinations, the generation of spurious details that cannot be inferred from the given image. Dedicated methods for reducing hallucinations in image captioning largely focus on closed-vocabulary object tokens, ignoring most types of hallucinations that occur in practice. In this work, we propose MOCHa, an approach that harnesses advancements in reinforcement learning (RL) to address the sequence-level nature of hallucinations in an open-world setup. To optimize for caption fidelity to the input image, we leverage ground-truth reference captions as proxies to measure the logical consistency of generated captions. However, optimizing for caption fidelity alone fails to preserve the semantic adequacy of generations; therefore, we propose a multi-objective reward function that jointly targets these qualities, without requiring any strong supervision. We demonstrate that these goals can be simultaneously optimized with our framework, enhancing performance for various captioning models of different scales. Our qualitative and quantitative results demonstrate MOCHa's superior performance across various established metrics. We also demonstrate the benefit of our method in the open-vocabulary setting. To this end, we contribute OpenCHAIR, a new benchmark for quantifying open-vocabulary hallucinations in image captioning models, constructed using generative foundation models. We will release our code, benchmark, and trained models.

Exploration is a key problem in reinforcement learning, since agents can only learn from data they acquire in the environment. With that in mind, maintaining a population of agents is an attractive method, as it allows data be collected with a diverse set of behaviors. This behavioral diversity is often boosted via multi-objective loss functions. However, those approaches typically leverage mean field updates based on pairwise distances, which makes them susceptible to cycling behaviors and increased redundancy. In addition, explicitly boosting diversity often has a detrimental impact on optimizing already fruitful behaviors for rewards. As such, the reward-diversity trade off typically relies on heuristics. Finally, such methods require behavioral representations, often handcrafted and domain specific. In this paper, we introduce an approach to optimize all members of a population simultaneously. Rather than using pairwise distance, we measure the volume of the entire population in a behavioral manifold, defined by task-agnostic behavioral embeddings. In addition, our algorithm Diversity via Determinants (DvD), adapts the degree of diversity during training using online learning techniques. We introduce both evolutionary and gradient-based instantiations of DvD and show they effectively improve exploration without reducing performance when better exploration is not required.

Unsupervised domain adaptation (UDA) refers to a domain adaptation framework in which a learning model is trained based on the labeled samples on the source domain and unlabelled ones in the target domain. The dominant existing methods in the field that rely on the classical covariate shift assumption to learn domain-invariant feature representation have yielded suboptimal performance under the label distribution shift between source and target domains. In this paper, we propose a novel conditional adversarial support alignment (CASA) whose aim is to minimize the conditional symmetric support divergence between the source's and target domain's feature representation distributions, aiming at a more helpful representation for the classification task. We also introduce a novel theoretical target risk bound, which justifies the merits of aligning the supports of conditional feature distributions compared to the existing marginal support alignment approach in the UDA settings. We then provide a complete training process for learning in which the objective optimization functions are precisely based on the proposed target risk bound. Our empirical results demonstrate that CASA outperforms other state-of-the-art methods on different UDA benchmark tasks under label shift conditions.

Unsupervised learning with functional data is an emerging paradigm of machine learning research with applications to computer vision, climate modeling and physical systems. A natural way of modeling functional data is by learning operators between infinite dimensional spaces, leading to discretization invariant representations that scale independently of the sample grid resolution. Here we present Variational Autoencoding Neural Operators (VANO), a general strategy for making a large class of operator learning architectures act as variational autoencoders. For this purpose, we provide a novel rigorous mathematical formulation of the variational objective in function spaces for training. VANO first maps an input function to a distribution over a latent space using a parametric encoder and then decodes a sample from the latent distribution to reconstruct the input, as in classic variational autoencoders. We test VANO with different model set-ups and architecture choices for a variety of benchmarks. We start from a simple Gaussian random field where we can analytically track what the model learns and progressively transition to more challenging benchmarks including modeling phase separation in Cahn-Hilliard systems and real world satellite data for measuring Earth surface deformation.

A critical problem in the field of post hoc explainability is the lack of a common foundational goal among methods. For example, some methods are motivated by function approximation, some by game theoretic notions, and some by obtaining clean visualizations. This fragmentation of goals causes not only an inconsistent conceptual understanding of explanations but also the practical challenge of not knowing which method to use when. In this work, we begin to address these challenges by unifying eight popular post hoc explanation methods (LIME, C-LIME, KernelSHAP, Occlusion, Vanilla Gradients, Gradients x Input, SmoothGrad, and Integrated Gradients). We show that these methods all perform local function approximation of the black-box model, differing only in the neighbourhood and loss function used to perform the approximation. This unification enables us to (1) state a no free lunch theorem for explanation methods, demonstrating that no method can perform optimally across all neighbourhoods, and (2) provide a guiding principle to choose among methods based on faithfulness to the black-box model. We empirically validate these theoretical results using various real-world datasets, model classes, and prediction tasks. By bringing diverse explanation methods into a common framework, this work (1) advances the conceptual understanding of these methods, revealing their shared local function approximation objective, properties, and relation to one another, and (2) guides the use of these methods in practice, providing a principled approach to choose among methods and paving the way for the creation of new ones.

Large language models (LLMs) have formulated a blueprint for the advancement of artificial general intelligence. Its primary objective is to function as a human-centric (helpful, honest, and harmless) assistant. Alignment with humans assumes paramount significance, and reinforcement learning with human feedback (RLHF) emerges as the pivotal technological paradigm underpinning this pursuit. Current technical routes usually include reward models to measure human preferences, Proximal Policy Optimization (PPO) to optimize policy model outputs, and process supervision to improve step-by-step reasoning capabilities. However, due to the challenges of reward design, environment interaction, and agent training, coupled with huge trial and error cost of large language models, there is a significant barrier for AI researchers to motivate the development of technical alignment and safe landing of LLMs. The stable training of RLHF has still been a puzzle. In the first report, we dissect the framework of RLHF, re-evaluate the inner workings of PPO, and explore how the parts comprising PPO algorithms impact policy agent training. We identify policy constraints being the key factor for the effective implementation of the PPO algorithm. Therefore, we explore the PPO-max, an advanced version of PPO algorithm, to efficiently improve the training stability of the policy model. Based on our main results, we perform a comprehensive analysis of RLHF abilities compared with SFT models and ChatGPT. The absence of open-source implementations has posed significant challenges to the investigation of LLMs alignment. Therefore, we are eager to release technical reports, reward models and PPO codes

Recently, influence functions present an apparatus for achieving explainability for deep neural models by quantifying the perturbation of individual train instances that might impact a test prediction. Our objectives in this paper are twofold. First we incorporate influence functions as a feedback into the model to improve its performance. Second, in a dataset extension exercise, using influence functions to automatically identify data points that have been initially `silver' annotated by some existing method and need to be cross-checked (and corrected) by annotators to improve the model performance. To meet these objectives, in this paper, we introduce InfFeed, which uses influence functions to compute the influential instances for a target instance. Toward the first objective, we adjust the label of the target instance based on its influencer(s) label. In doing this, InfFeed outperforms the state-of-the-art baselines (including LLMs) by a maximum macro F1-score margin of almost 4% for hate speech classification, 3.5% for stance classification, and 3% for irony and 2% for sarcasm detection. Toward the second objective we show that manually re-annotating only those silver annotated data points in the extension set that have a negative influence can immensely improve the model performance bringing it very close to the scenario where all the data points in the extension set have gold labels. This allows for huge reduction of the number of data points that need to be manually annotated since out of the silver annotated extension dataset, the influence function scheme picks up ~1/1000 points that need manual correction.

Model-based reinforcement learning (MBRL) has been shown to be a powerful framework for data-efficiently learning control of continuous tasks. Recent work in MBRL has mostly focused on using more advanced function approximators and planning schemes, with little development of the general framework. In this paper, we identify a fundamental issue of the standard MBRL framework -- what we call the objective mismatch issue. Objective mismatch arises when one objective is optimized in the hope that a second, often uncorrelated, metric will also be optimized. In the context of MBRL, we characterize the objective mismatch between training the forward dynamics model w.r.t.~the likelihood of the one-step ahead prediction, and the overall goal of improving performance on a downstream control task. For example, this issue can emerge with the realization that dynamics models effective for a specific task do not necessarily need to be globally accurate, and vice versa globally accurate models might not be sufficiently accurate locally to obtain good control performance on a specific task. In our experiments, we study this objective mismatch issue and demonstrate that the likelihood of one-step ahead predictions is not always correlated with control performance. This observation highlights a critical limitation in the MBRL framework which will require further research to be fully understood and addressed. We propose an initial method to mitigate the mismatch issue by re-weighting dynamics model training. Building on it, we conclude with a discussion about other potential directions of research for addressing this issue.

In online reinforcement learning (online RL), balancing exploration and exploitation is crucial for finding an optimal policy in a sample-efficient way. To achieve this, existing sample-efficient online RL algorithms typically consist of three components: estimation, planning, and exploration. However, in order to cope with general function approximators, most of them involve impractical algorithmic components to incentivize exploration, such as optimization within data-dependent level-sets or complicated sampling procedures. To address this challenge, we propose an easy-to-implement RL framework called Maximize to Explore (MEX), which only needs to optimize unconstrainedly a single objective that integrates the estimation and planning components while balancing exploration and exploitation automatically. Theoretically, we prove that MEX achieves a sublinear regret with general function approximations for Markov decision processes (MDP) and is further extendable to two-player zero-sum Markov games (MG). Meanwhile, we adapt deep RL baselines to design practical versions of MEX, in both model-free and model-based manners, which can outperform baselines by a stable margin in various MuJoCo environments with sparse rewards. Compared with existing sample-efficient online RL algorithms with general function approximations, MEX achieves similar sample efficiency while enjoying a lower computational cost and is more compatible with modern deep RL methods.

Neurons in the brain are spatially organized such that neighbors on tissue often exhibit similar response profiles. In the human language system, experimental studies have observed clusters for syntactic and semantic categories, but the mechanisms underlying this functional organization remain unclear. Here, building on work from the vision literature, we develop TopoLM, a transformer language model with an explicit two-dimensional spatial representation of model units. By combining a next-token prediction objective with a spatial smoothness loss, representations in this model assemble into clusters that correspond to semantically interpretable groupings of text and closely match the functional organization in the brain's language system. TopoLM successfully predicts the emergence of the spatio-functional organization of a cortical language system as well as the organization of functional clusters selective for fine-grained linguistic features empirically observed in human cortex. Our results suggest that the functional organization of the human language system is driven by a unified spatial objective, and provide a functionally and spatially aligned model of language processing in the brain.

We study Pareto optimality in multi-objective multi-armed bandit by providing a formulation of adversarial multi-objective multi-armed bandit and defining its Pareto regrets that can be applied to both stochastic and adversarial settings. The regrets do not rely on any scalarization functions and reflect Pareto optimality compared to scalarized regrets. We also present new algorithms assuming both with and without prior information of the multi-objective multi-armed bandit setting. The algorithms are shown optimal in adversarial settings and nearly optimal up to a logarithmic factor in stochastic settings simultaneously by our established upper bounds and lower bounds on Pareto regrets. Moreover, the lower bound analyses show that the new regrets are consistent with the existing Pareto regret for stochastic settings and extend an adversarial attack mechanism from bandit to the multi-objective one.

Reinforcement Learning From Human Feedback (RLHF) has been a critical to the success of the latest generation of generative AI models. In response to the complex nature of the classical RLHF pipeline, direct alignment algorithms such as Direct Preference Optimization (DPO) have emerged as an alternative approach. Although DPO solves the same objective as the standard RLHF setup, there is a mismatch between the two approaches. Standard RLHF deploys reinforcement learning in a specific token-level MDP, while DPO is derived as a bandit problem in which the whole response of the model is treated as a single arm. In this work we rectify this difference, first we theoretically show that we can derive DPO in the token-level MDP as a general inverse Q-learning algorithm, which satisfies the Bellman equation. Using our theoretical results, we provide three concrete empirical insights. First, we show that because of its token level interpretation, DPO is able to perform some type of credit assignment. Next, we prove that under the token level formulation, classical search-based algorithms, such as MCTS, which have recently been applied to the language generation space, are equivalent to likelihood-based search on a DPO policy. Empirically we show that a simple beam search yields meaningful improvement over the base DPO policy. Finally, we show how the choice of reference policy causes implicit rewards to decline during training. We conclude by discussing applications of our work, including information elicitation in multi-tun dialogue, reasoning, agentic applications and end-to-end training of multi-model systems.

Value functions are a central component of deep reinforcement learning (RL). These functions, parameterized by neural networks, are trained using a mean squared error regression objective to match bootstrapped target values. However, scaling value-based RL methods that use regression to large networks, such as high-capacity Transformers, has proven challenging. This difficulty is in stark contrast to supervised learning: by leveraging a cross-entropy classification loss, supervised methods have scaled reliably to massive networks. Observing this discrepancy, in this paper, we investigate whether the scalability of deep RL can also be improved simply by using classification in place of regression for training value functions. We demonstrate that value functions trained with categorical cross-entropy significantly improves performance and scalability in a variety of domains. These include: single-task RL on Atari 2600 games with SoftMoEs, multi-task RL on Atari with large-scale ResNets, robotic manipulation with Q-transformers, playing Chess without search, and a language-agent Wordle task with high-capacity Transformers, achieving state-of-the-art results on these domains. Through careful analysis, we show that the benefits of categorical cross-entropy primarily stem from its ability to mitigate issues inherent to value-based RL, such as noisy targets and non-stationarity. Overall, we argue that a simple shift to training value functions with categorical cross-entropy can yield substantial improvements in the scalability of deep RL at little-to-no cost.

Several studies have shown that speech and language features, automatically extracted from clinical interviews or spontaneous discourse, have diagnostic value for mental disorders such as schizophrenia and bipolar disorder. They typically make use of a large feature set to train a classifier for distinguishing between two groups of interest, i.e. a clinical and control group. However, a purely data-driven approach runs the risk of overfitting to a particular data set, especially when sample sizes are limited. Here, we first down-select the set of language features to a small subset that is related to a well-validated test of functional ability, the Social Skills Performance Assessment (SSPA). This helps establish the concurrent validity of the selected features. We use only these features to train a simple classifier to distinguish between groups of interest. Linear regression reveals that a subset of language features can effectively model the SSPA, with a correlation coefficient of 0.75. Furthermore, the same feature set can be used to build a strong binary classifier to distinguish between healthy controls and a clinical group (AUC = 0.96) and also between patients within the clinical group with schizophrenia and bipolar I disorder (AUC = 0.83).

Designing reward functions for efficiently guiding reinforcement learning (RL) agents toward specific behaviors is a complex task. This is challenging since it requires the identification of reward structures that are not sparse and that avoid inadvertently inducing undesirable behaviors. Naively modifying the reward structure to offer denser and more frequent feedback can lead to unintended outcomes and promote behaviors that are not aligned with the designer's intended goal. Although potential-based reward shaping is often suggested as a remedy, we systematically investigate settings where deploying it often significantly impairs performance. To address these issues, we introduce a new framework that uses a bi-level objective to learn behavior alignment reward functions. These functions integrate auxiliary rewards reflecting a designer's heuristics and domain knowledge with the environment's primary rewards. Our approach automatically determines the most effective way to blend these types of feedback, thereby enhancing robustness against heuristic reward misspecification. Remarkably, it can also adapt an agent's policy optimization process to mitigate suboptimalities resulting from limitations and biases inherent in the underlying RL algorithms. We evaluate our method's efficacy on a diverse set of tasks, from small-scale experiments to high-dimensional control challenges. We investigate heuristic auxiliary rewards of varying quality -- some of which are beneficial and others detrimental to the learning process. Our results show that our framework offers a robust and principled way to integrate designer-specified heuristics. It not only addresses key shortcomings of existing approaches but also consistently leads to high-performing solutions, even when given misaligned or poorly-specified auxiliary reward functions.

Intelligent creatures can explore their environments and learn useful skills without supervision. In this paper, we propose DIAYN ('Diversity is All You Need'), a method for learning useful skills without a reward function. Our proposed method learns skills by maximizing an information theoretic objective using a maximum entropy policy. On a variety of simulated robotic tasks, we show that this simple objective results in the unsupervised emergence of diverse skills, such as walking and jumping. In a number of reinforcement learning benchmark environments, our method is able to learn a skill that solves the benchmark task despite never receiving the true task reward. We show how pretrained skills can provide a good parameter initialization for downstream tasks, and can be composed hierarchically to solve complex, sparse reward tasks. Our results suggest that unsupervised discovery of skills can serve as an effective pretraining mechanism for overcoming challenges of exploration and data efficiency in reinforcement learning.

Multi-objective reinforcement learning (MORL) excels at handling rapidly changing preferences in tasks that involve multiple criteria, even for unseen preferences. However, previous dominating MORL methods typically generate a fixed policy set or preference-conditioned policy through multiple training iterations exclusively for sampled preference vectors, and cannot ensure the efficient discovery of the Pareto front. Furthermore, integrating preferences into the input of policy or value functions presents scalability challenges, in particular as the dimension of the state and preference space grow, which can complicate the learning process and hinder the algorithm's performance on more complex tasks. To address these issues, we propose a two-stage Pareto front discovery algorithm called Constrained MORL (C-MORL), which serves as a seamless bridge between constrained policy optimization and MORL. Concretely, a set of policies is trained in parallel in the initialization stage, with each optimized towards its individual preference over the multiple objectives. Then, to fill the remaining vacancies in the Pareto front, the constrained optimization steps are employed to maximize one objective while constraining the other objectives to exceed a predefined threshold. Empirically, compared to recent advancements in MORL methods, our algorithm achieves more consistent and superior performances in terms of hypervolume, expected utility, and sparsity on both discrete and continuous control tasks, especially with numerous objectives (up to nine objectives in our experiments).

Most algorithms in reinforcement learning (RL) require that the objective is formalised with a Markovian reward function. However, it is well-known that certain tasks cannot be expressed by means of an objective in the Markov rewards formalism, motivating the study of alternative objective-specification formalisms in RL such as Linear Temporal Logic and Multi-Objective Reinforcement Learning. To date, there has not yet been any thorough analysis of how these formalisms relate to each other in terms of their expressivity. We fill this gap in the existing literature by providing a comprehensive comparison of 17 salient objective-specification formalisms. We place these formalisms in a preorder based on their expressive power, and present this preorder as a Hasse diagram. We find a variety of limitations for the different formalisms, and argue that no formalism is both dominantly expressive and straightforward to optimise with current techniques. For example, we prove that each of Regularised RL, (Outer) Nonlinear Markov Rewards, Reward Machines, Linear Temporal Logic, and Limit Average Rewards can express a task that the others cannot. The significance of our results is twofold. First, we identify important expressivity limitations to consider when specifying objectives for policy optimization. Second, our results highlight the need for future research which adapts reward learning to work with a greater variety of formalisms, since many existing reward learning methods assume that the desired objective takes a Markovian form. Our work contributes towards a more cohesive understanding of the costs and benefits of different RL objective-specification formalisms.

Predicting gene function from its DNA sequence is a fundamental challenge in biology. Many deep learning models have been proposed to embed DNA sequences and predict their enzymatic function, leveraging information in public databases linking DNA sequences to an enzymatic function label. However, much of the scientific community's knowledge of biological function is not represented in these categorical labels, and is instead captured in unstructured text descriptions of mechanisms, reactions, and enzyme behavior. These descriptions are often captured alongside DNA sequences in biological databases, albeit in an unstructured manner. Deep learning of models predicting enzymatic function are likely to benefit from incorporating this multi-modal data encoding scientific knowledge of biological function. There is, however, no dataset designed for machine learning algorithms to leverage this multi-modal information. Here we propose a novel dataset and benchmark suite that enables the exploration and development of large multi-modal neural network models on gene DNA sequences and natural language descriptions of gene function. We present baseline performance on benchmarks for both unsupervised and supervised tasks that demonstrate the difficulty of this modeling objective, while demonstrating the potential benefit of incorporating multi-modal data types in function prediction compared to DNA sequences alone. Our dataset is at: https://hoarfrost-lab.github.io/BioTalk/.

Many optimization problems are inherently multi-objective. To address them, we formalize Jacobian descent (JD), a direct generalization of gradient descent for vector-valued functions. Each step of this algorithm relies on a Jacobian matrix consisting of one gradient per objective. The aggregator, responsible for reducing this matrix into an update vector, characterizes JD. While the multi-task learning literature already contains a variety of aggregators, they often lack some natural properties. In particular, the update should not conflict with any objective and should scale proportionally to the norm of each gradient. We propose a new aggregator specifically designed to satisfy this. Emphasizing conflict between objectives, we then highlight direct applications for our methods. Most notably, we introduce instance-wise risk minimization (IWRM), a learning paradigm in which the loss of each training example is considered a separate objective. On simple image classification tasks, IWRM exhibits promising results compared to the direct minimization of the average loss. The performance of our aggregator in those experiments also corroborates our theoretical findings. Lastly, as speed is the main limitation of JD, we provide a path towards a more efficient implementation.

We study the problem of constrained efficient global optimization, where both the objective and constraints are expensive black-box functions that can be learned with Gaussian processes. We propose CONFIG (CONstrained efFIcient Global Optimization), a simple and effective algorithm to solve it. Under certain regularity assumptions, we show that our algorithm enjoys the same cumulative regret bound as that in the unconstrained case and similar cumulative constraint violation upper bounds. For commonly used Matern and Squared Exponential kernels, our bounds are sublinear and allow us to derive a convergence rate to the optimal solution of the original constrained problem. In addition, our method naturally provides a scheme to declare infeasibility when the original black-box optimization problem is infeasible. Numerical experiments on sampled instances from the Gaussian process, artificial numerical problems, and a black-box building controller tuning problem all demonstrate the competitive performance of our algorithm. Compared to the other state-of-the-art methods, our algorithm significantly improves the theoretical guarantees, while achieving competitive empirical performance.

Most value function learning algorithms in reinforcement learning are based on the mean squared (projected) Bellman error. However, squared errors are known to be sensitive to outliers, both skewing the solution of the objective and resulting in high-magnitude and high-variance gradients. To control these high-magnitude updates, typical strategies in RL involve clipping gradients, clipping rewards, rescaling rewards, or clipping errors. While these strategies appear to be related to robust losses -- like the Huber loss -- they are built on semi-gradient update rules which do not minimize a known loss. In this work, we build on recent insights reformulating squared Bellman errors as a saddlepoint optimization problem and propose a saddlepoint reformulation for a Huber Bellman error and Absolute Bellman error. We start from a formalization of robust losses, then derive sound gradient-based approaches to minimize these losses in both the online off-policy prediction and control settings. We characterize the solutions of the robust losses, providing insight into the problem settings where the robust losses define notably better solutions than the mean squared Bellman error. Finally, we show that the resulting gradient-based algorithms are more stable, for both prediction and control, with less sensitivity to meta-parameters.

Existing training-time safety alignment techniques for large language models (LLMs) remain vulnerable to jailbreak attacks. Direct preference optimization (DPO), a widely deployed alignment method, exhibits limitations in both experimental and theoretical contexts as its loss function proves suboptimal for refusal learning. Through gradient-based analysis, we identify these shortcomings and propose an improved safety alignment that disentangles DPO objectives into two components: (1) robust refusal training, which encourages refusal even when partial unsafe generations are produced, and (2) targeted unlearning of harmful knowledge. This approach significantly increases LLM robustness against a wide range of jailbreak attacks, including prefilling, suffix, and multi-turn attacks across both in-distribution and out-of-distribution scenarios. Furthermore, we introduce a method to emphasize critical refusal tokens by incorporating a reward-based token-level weighting mechanism for refusal learning, which further improves the robustness against adversarial exploits. Our research also suggests that robustness to jailbreak attacks is correlated with token distribution shifts in the training process and internal representations of refusal and harmful tokens, offering valuable directions for future research in LLM safety alignment. The code is available at https://github.com/wicai24/DOOR-Alignment

Risk-sensitive reinforcement learning (RL) aims to optimize policies that balance the expected reward and risk. In this paper, we present a novel risk-sensitive RL framework that employs an Iterated Conditional Value-at-Risk (CVaR) objective under both linear and general function approximations, enriched by human feedback. These new formulations provide a principled way to guarantee safety in each decision making step throughout the control process. Moreover, integrating human feedback into risk-sensitive RL framework bridges the gap between algorithmic decision-making and human participation, allowing us to also guarantee safety for human-in-the-loop systems. We propose provably sample-efficient algorithms for this Iterated CVaR RL and provide rigorous theoretical analysis. Furthermore, we establish a matching lower bound to corroborate the optimality of our algorithms in a linear context.

Meta-gradient Reinforcement Learning (RL) allows agents to self-tune their hyper-parameters in an online fashion during training. In this paper, we identify a bias in the meta-gradient of current meta-gradient RL approaches. This bias comes from using the critic that is trained using the meta-learned discount factor for the advantage estimation in the outer objective which requires a different discount factor. Because the meta-learned discount factor is typically lower than the one used in the outer objective, the resulting bias can cause the meta-gradient to favor myopic policies. We propose a simple solution to this issue: we eliminate this bias by using an alternative, outer value function in the estimation of the outer loss. To obtain this outer value function we add a second head to the critic network and train it alongside the classic critic, using the outer loss discount factor. On an illustrative toy problem, we show that the bias can cause catastrophic failure of current meta-gradient RL approaches, and show that our proposed solution fixes it. We then apply our method to a more complex environment and demonstrate that fixing the meta-gradient bias can significantly improve performance.

Peptide therapeutics, a major class of medicines, have achieved remarkable success across diseases such as diabetes and cancer, with landmark examples such as GLP-1 receptor agonists revolutionizing the treatment of type-2 diabetes and obesity. Despite their success, designing peptides that satisfy multiple conflicting objectives, such as target binding affinity, solubility, and membrane permeability, remains a major challenge. Classical drug development and structure-based design are ineffective for such tasks, as they fail to optimize global functional properties critical for therapeutic efficacy. Existing generative frameworks are largely limited to continuous spaces, unconditioned outputs, or single-objective guidance, making them unsuitable for discrete sequence optimization across multiple properties. To address this, we present PepTune, a multi-objective discrete diffusion model for the simultaneous generation and optimization of therapeutic peptide SMILES. Built on the Masked Discrete Language Model (MDLM) framework, PepTune ensures valid peptide structures with state-dependent masking schedules and penalty-based objectives. To guide the diffusion process, we propose a Monte Carlo Tree Search (MCTS)-based strategy that balances exploration and exploitation to iteratively refine Pareto-optimal sequences. MCTS integrates classifier-based rewards with search-tree expansion, overcoming gradient estimation challenges and data sparsity inherent to discrete spaces. Using PepTune, we generate diverse, chemically-modified peptides optimized for multiple therapeutic properties, including target binding affinity, membrane permeability, solubility, hemolysis, and non-fouling characteristics on various disease-relevant targets. In total, our results demonstrate that MCTS-guided discrete diffusion is a powerful and modular approach for multi-objective sequence design in discrete state spaces.

To minimize the average of a set of log-convex functions, the stochastic Newton method iteratively updates its estimate using subsampled versions of the full objective's gradient and Hessian. We contextualize this optimization problem as sequential Bayesian inference on a latent state-space model with a discriminatively-specified observation process. Applying Bayesian filtering then yields a novel optimization algorithm that considers the entire history of gradients and Hessians when forming an update. We establish matrix-based conditions under which the effect of older observations diminishes over time, in a manner analogous to Polyak's heavy ball momentum. We illustrate various aspects of our approach with an example and review other relevant innovations for the stochastic Newton method.

Few-shot learning is a challenging area of research that aims to learn new concepts with only a few labeled samples of data. Recent works based on metric-learning approaches leverage the meta-learning approach, which is encompassed by episodic tasks that make use a support (training) and query set (test) with the objective of learning a similarity comparison metric between those sets. Due to the lack of data, the learning process of the embedding network becomes an important part of the few-shot task. Previous works have addressed this problem using metric learning approaches, but the properties of the underlying latent space and the separability of the difference classes on it was not entirely enforced. In this work, we propose two different loss functions which consider the importance of the embedding vectors by looking at the intra-class and inter-class distance between the few data. The first loss function is the Proto-Triplet Loss, which is based on the original triplet loss with the modifications needed to better work on few-shot scenarios. The second loss function, which we dub ICNN loss is based on an inter and intra class nearest neighbors score, which help us to assess the quality of embeddings obtained from the trained network. Our results, obtained from a extensive experimental setup show a significant improvement in accuracy in the miniImagenNet benchmark compared to other metric-based few-shot learning methods by a margin of 2%, demonstrating the capability of these loss functions to allow the network to generalize better to previously unseen classes. In our experiments, we demonstrate competitive generalization capabilities to other domains, such as the Caltech CUB, Dogs and Cars datasets compared with the state of the art.

Objective: fMRI and derived measures such as functional connectivity (FC) have been used to predict brain age, general fluid intelligence, psychiatric disease status, and preclinical neurodegenerative disease. However, it is not always clear that all demographic confounds, such as age, sex, and race, have been removed from fMRI data. Additionally, many fMRI datasets are restricted to authorized researchers, making dissemination of these valuable data sources challenging. Methods: We create a variational autoencoder (VAE)-based model, DemoVAE, to decorrelate fMRI features from demographics and generate high-quality synthetic fMRI data based on user-supplied demographics. We train and validate our model using two large, widely used datasets, the Philadelphia Neurodevelopmental Cohort (PNC) and Bipolar and Schizophrenia Network for Intermediate Phenotypes (BSNIP). Results: We find that DemoVAE recapitulates group differences in fMRI data while capturing the full breadth of individual variations. Significantly, we also find that most clinical and computerized battery fields that are correlated with fMRI data are not correlated with DemoVAE latents. An exception are several fields related to schizophrenia medication and symptom severity. Conclusion: Our model generates fMRI data that captures the full distribution of FC better than traditional VAE or GAN models. We also find that most prediction using fMRI data is dependent on correlation with, and prediction of, demographics. Significance: Our DemoVAE model allows for generation of high quality synthetic data conditioned on subject demographics as well as the removal of the confounding effects of demographics. We identify that FC-based prediction tasks are highly influenced by demographic confounds.

In this work we present a data-driven approach for predicting the behavior of (i.e., profiling) a given non-linear audio signal processing effect (henceforth "audio effect"). Our objective is to learn a mapping function that maps the unprocessed audio to the processed by the audio effect to be profiled, using time-domain samples. To that aim, we employ a deep auto-encoder model that is conditioned on both time-domain samples and the control parameters of the target audio effect. As a test-case study, we focus on the offline profiling of two dynamic range compression audio effects, one software-based and the other analog. Compressors were chosen because they are a widely used and important set of effects and because their parameterized nonlinear time-dependent nature makes them a challenging problem for a system aiming to profile "general" audio effects. Results from our experimental procedure show that the primary functional and auditory characteristics of the compressors can be captured, however there is still sufficient audible noise to merit further investigation before such methods are applied to real-world audio processing workflows.

The objective of this paper is to develop a functional system for translating spoken languages into sign languages, referred to as Spoken2Sign translation. The Spoken2Sign task is orthogonal and complementary to traditional sign language to spoken language (Sign2Spoken) translation. To enable Spoken2Sign translation, we present a simple baseline consisting of three steps: 1) creating a gloss-video dictionary using existing Sign2Spoken benchmarks; 2) estimating a 3D sign for each sign video in the dictionary; 3) training a Spoken2Sign model, which is composed of a Text2Gloss translator, a sign connector, and a rendering module, with the aid of the yielded gloss-3D sign dictionary. The translation results are then displayed through a sign avatar. As far as we know, we are the first to present the Spoken2Sign task in an output format of 3D signs. In addition to its capability of Spoken2Sign translation, we also demonstrate that two by-products of our approach-3D keypoint augmentation and multi-view understanding-can assist in keypoint-based sign language understanding. Code and models are available at https://github.com/FangyunWei/SLRT.

Data augmentation is an effective way to improve the performance of many neural text generation models. However, current data augmentation methods need to define or choose proper data mapping functions that map the original samples into the augmented samples. In this work, we derive an objective to formulate the problem of data augmentation on text generation tasks without any use of augmented data constructed by specific mapping functions. Our proposed objective can be efficiently optimized and applied to popular loss functions on text generation tasks with a convergence rate guarantee. Experiments on five datasets of two text generation tasks show that our approach can approximate or even surpass popular data augmentation methods.

Joint Energy Models (JEMs), while drawing significant research attention, have not been successfully scaled to real-world, high-resolution datasets. We present EB-CLIP, a novel approach extending JEMs to the multimodal vision-language domain using CLIP, integrating both generative and discriminative objectives. For the generative objective, we introduce an image-text joint-energy function based on Cosine similarity in the CLIP space, training CLIP to assign low energy to real image-caption pairs and high energy otherwise. For the discriminative objective, we employ contrastive adversarial loss, extending the adversarial training objective to the multimodal domain. EB-CLIP not only generates realistic images from text but also achieves competitive results on the compositionality benchmark, outperforming leading methods with fewer parameters. Additionally, we demonstrate the superior guidance capability of EB-CLIP by enhancing CLIP-based generative frameworks and converting unconditional diffusion models to text-based ones. Lastly, we show that EB-CLIP can serve as a more robust evaluation metric for text-to-image generative tasks than CLIP.

Saliency post-hoc explainability methods are important tools for understanding increasingly complex NLP models. While these methods can reflect the model's reasoning, they may not align with human intuition, making the explanations not plausible. In this work, we present a methodology for incorporating rationales, which are text annotations explaining human decisions, into text classification models. This incorporation enhances the plausibility of post-hoc explanations while preserving their faithfulness. Our approach is agnostic to model architectures and explainability methods. We introduce the rationales during model training by augmenting the standard cross-entropy loss with a novel loss function inspired by contrastive learning. By leveraging a multi-objective optimization algorithm, we explore the trade-off between the two loss functions and generate a Pareto-optimal frontier of models that balance performance and plausibility. Through extensive experiments involving diverse models, datasets, and explainability methods, we demonstrate that our approach significantly enhances the quality of model explanations without causing substantial (sometimes negligible) degradation in the original model's performance.

We present BLANC, a new approach to the automatic estimation of document summary quality. Our goal is to measure the functional performance of a summary with an objective, reproducible, and fully automated method. Our approach achieves this by measuring the performance boost gained by a pre-trained language model with access to a document summary while carrying out its language understanding task on the document's text. We present evidence that BLANC scores have as good correlation with human evaluations as do the ROUGE family of summary quality measurements. And unlike ROUGE, the BLANC method does not require human-written reference summaries, allowing for fully human-free summary quality estimation.

Despite extensive standardization, diagnostic interviews for mental health disorders encompass substantial subjective judgment. Previous studies have demonstrated that EEG-based neural measures can function as reliable objective correlates of depression, or even predictors of depression and its course. However, their clinical utility has not been fully realized because of 1) the lack of automated ways to deal with the inherent noise associated with EEG data at scale, and 2) the lack of knowledge of which aspects of the EEG signal may be markers of a clinical disorder. Here we adapt an unsupervised pipeline from the recent deep representation learning literature to address these problems by 1) learning a disentangled representation using beta-VAE to denoise the signal, and 2) extracting interpretable features associated with a sparse set of clinical labels using a Symbol-Concept Association Network (SCAN). We demonstrate that our method is able to outperform the canonical hand-engineered baseline classification method on a number of factors, including participant age and depression diagnosis. Furthermore, our method recovers a representation that can be used to automatically extract denoised Event Related Potentials (ERPs) from novel, single EEG trajectories, and supports fast supervised re-mapping to various clinical labels, allowing clinicians to re-use a single EEG representation regardless of updates to the standardized diagnostic system. Finally, single factors of the learned disentangled representations often correspond to meaningful markers of clinical factors, as automatically detected by SCAN, allowing for human interpretability and post-hoc expert analysis of the recommendations made by the model.

Currently, it is hard to reap the benefits of deep learning for Bayesian methods, which allow the explicit specification of prior knowledge and accurately capture model uncertainty. We present Prior-Data Fitted Networks (PFNs). PFNs leverage large-scale machine learning techniques to approximate a large set of posteriors. The only requirement for PFNs to work is the ability to sample from a prior distribution over supervised learning tasks (or functions). Our method restates the objective of posterior approximation as a supervised classification problem with a set-valued input: it repeatedly draws a task (or function) from the prior, draws a set of data points and their labels from it, masks one of the labels and learns to make probabilistic predictions for it based on the set-valued input of the rest of the data points. Presented with a set of samples from a new supervised learning task as input, PFNs make probabilistic predictions for arbitrary other data points in a single forward propagation, having learned to approximate Bayesian inference. We demonstrate that PFNs can near-perfectly mimic Gaussian processes and also enable efficient Bayesian inference for intractable problems, with over 200-fold speedups in multiple setups compared to current methods. We obtain strong results in very diverse areas such as Gaussian process regression, Bayesian neural networks, classification for small tabular data sets, and few-shot image classification, demonstrating the generality of PFNs. Code and trained PFNs are released at https://github.com/automl/TransformersCanDoBayesianInference.

Large-scale contrastive learning models can learn very informative sentence embeddings, but are hard to serve online due to the huge model size. Therefore, they often play the role of "teacher", transferring abilities to small "student" models through knowledge distillation. However, knowledge distillation inevitably brings some drop in embedding effect. To tackle that, we propose an effective knowledge distillation framework for contrastive sentence embeddings, termed DistilCSE. It first applies knowledge distillation on a large amount of unlabeled data, and then fine-tunes student models through contrastive learning on limited labeled data. To achieve better distillation results, we further propose Contrastive Knowledge Distillation (CKD). CKD uses InfoNCE as the loss function in knowledge distillation, enhancing the objective consistency among teacher model training, knowledge distillation, and student model fine-tuning. Extensive experiments show that student models trained with the proposed DistilCSE and CKD suffer from little or even no performance decrease and consistently outperform the corresponding counterparts of the same parameter size. Impressively, our 110M student model outperforms the latest state-of-the-art model, i.e., Sentence-T5 (11B), with only 1% parameters and 0.25% unlabeled data.

Model-based reinforcement learning (RL) algorithms designed for handling complex visual observations typically learn some sort of latent state representation, either explicitly or implicitly. Standard methods of this sort do not distinguish between functionally relevant aspects of the state and irrelevant distractors, instead aiming to represent all available information equally. We propose a modified objective for model-based RL that, in combination with mutual information maximization, allows us to learn representations and dynamics for visual model-based RL without reconstruction in a way that explicitly prioritizes functionally relevant factors. The key principle behind our design is to integrate a term inspired by variational empowerment into a state-space model based on mutual information. This term prioritizes information that is correlated with action, thus ensuring that functionally relevant factors are captured first. Furthermore, the same empowerment term also promotes faster exploration during the RL process, especially for sparse-reward tasks where the reward signal is insufficient to drive exploration in the early stages of learning. We evaluate the approach on a suite of vision-based robot control tasks with natural video backgrounds, and show that the proposed prioritized information objective outperforms state-of-the-art model based RL approaches with higher sample efficiency and episodic returns. https://sites.google.com/view/information-empowerment

Open-vocabulary segmentation of 3D scenes is a fundamental function of human perception and thus a crucial objective in computer vision research. However, this task is heavily impeded by the lack of large-scale and diverse 3D open-vocabulary segmentation datasets for training robust and generalizable models. Distilling knowledge from pre-trained 2D open-vocabulary segmentation models helps but it compromises the open-vocabulary feature as the 2D models are mostly finetuned with close-vocabulary datasets. We tackle the challenges in 3D open-vocabulary segmentation by exploiting pre-trained foundation models CLIP and DINO in a weakly supervised manner. Specifically, given only the open-vocabulary text descriptions of the objects in a scene, we distill the open-vocabulary multimodal knowledge and object reasoning capability of CLIP and DINO into a neural radiance field (NeRF), which effectively lifts 2D features into view-consistent 3D segmentation. A notable aspect of our approach is that it does not require any manual segmentation annotations for either the foundation models or the distillation process. Extensive experiments show that our method even outperforms fully supervised models trained with segmentation annotations in certain scenes, suggesting that 3D open-vocabulary segmentation can be effectively learned from 2D images and text-image pairs. Code is available at https://github.com/Kunhao-Liu/3D-OVS.

We present an algorithm for minimizing an objective with hard-to-compute gradients by using a related, easier-to-access function as a proxy. Our algorithm is based on approximate proximal point iterations on the proxy combined with relatively few stochastic gradients from the objective. When the difference between the objective and the proxy is delta-smooth, our algorithm guarantees convergence at a rate matching stochastic gradient descent on a delta-smooth objective, which can lead to substantially better sample efficiency. Our algorithm has many potential applications in machine learning, and provides a principled means of leveraging synthetic data, physics simulators, mixed public and private data, and more.

As Large Language Models (LLMs) continue to progress toward more advanced forms of intelligence, Reinforcement Learning from Human Feedback (RLHF) is increasingly seen as a key pathway toward achieving Artificial General Intelligence (AGI). However, the reliance on reward-model-based (RM-based) alignment methods introduces significant challenges due to the inherent instability and imperfections of Reward Models (RMs), which can lead to critical issues such as reward hacking and misalignment with human intentions. In this paper, we introduce a reward-robust RLHF framework aimed at addressing these fundamental challenges, paving the way for more reliable and resilient learning in LLMs. Our approach introduces a novel optimization objective that carefully balances performance and robustness by incorporating Bayesian Reward Model Ensembles (BRME) to model the uncertainty set of reward functions. This allows the framework to integrate both nominal performance and minimum reward signals, ensuring more stable learning even with imperfect reward models. Empirical results demonstrate that our framework consistently outperforms traditional RLHF across diverse benchmarks, showing improved accuracy and long-term stability. We also provide a theoretical analysis, demonstrating that reward-robust RLHF approaches the stability of constant reward settings, which proves to be effective in a stochastic-case analysis. Together, these contributions highlight the framework potential to enhance both the performance and stability of LLM alignment with RLHF.

To overcome the overparameterized problem in Pre-trained Language Models (PLMs), pruning is widely used as a simple and straightforward compression method by directly removing unimportant weights. Previous first-order methods successfully compress PLMs to extremely high sparsity with little performance drop. These methods, such as movement pruning, use first-order information to prune PLMs while fine-tuning the remaining weights. In this work, we argue fine-tuning is redundant for first-order pruning, since first-order pruning is sufficient to converge PLMs to downstream tasks without fine-tuning. Under this motivation, we propose Static Model Pruning (SMP), which only uses first-order pruning to adapt PLMs to downstream tasks while achieving the target sparsity level. In addition, we also design a new masking function and training objective to further improve SMP. Extensive experiments at various sparsity levels show SMP has significant improvements over first-order and zero-order methods. Unlike previous first-order methods, SMP is also applicable to low sparsity and outperforms zero-order methods. Meanwhile, SMP is more parameter efficient than other methods due to it does not require fine-tuning.

We propose Equiangular Basis Vectors (EBVs) for classification tasks. In deep neural networks, models usually end with a k-way fully connected layer with softmax to handle different classification tasks. The learning objective of these methods can be summarized as mapping the learned feature representations to the samples' label space. While in metric learning approaches, the main objective is to learn a transformation function that maps training data points from the original space to a new space where similar points are closer while dissimilar points become farther apart. Different from previous methods, our EBVs generate normalized vector embeddings as "predefined classifiers" which are required to not only be with the equal status between each other, but also be as orthogonal as possible. By minimizing the spherical distance of the embedding of an input between its categorical EBV in training, the predictions can be obtained by identifying the categorical EBV with the smallest distance during inference. Various experiments on the ImageNet-1K dataset and other downstream tasks demonstrate that our method outperforms the general fully connected classifier while it does not introduce huge additional computation compared with classical metric learning methods. Our EBVs won the first place in the 2022 DIGIX Global AI Challenge, and our code is open-source and available at https://github.com/NJUST-VIPGroup/Equiangular-Basis-Vectors.

We present AIRS: Automatic Intrinsic Reward Shaping that intelligently and adaptively provides high-quality intrinsic rewards to enhance exploration in reinforcement learning (RL). More specifically, AIRS selects shaping function from a predefined set based on the estimated task return in real-time, providing reliable exploration incentives and alleviating the biased objective problem. Moreover, we develop an intrinsic reward toolkit to provide efficient and reliable implementations of diverse intrinsic reward approaches. We test AIRS on various tasks of MiniGrid, Procgen, and DeepMind Control Suite. Extensive simulation demonstrates that AIRS can outperform the benchmarking schemes and achieve superior performance with simple architecture.

In text-video retrieval, the objective is to learn a cross-modal similarity function between a text and a video that ranks relevant text-video pairs higher than irrelevant pairs. However, videos inherently express a much wider gamut of information than texts. Instead, texts often capture sub-regions of entire videos and are most semantically similar to certain frames within videos. Therefore, for a given text, a retrieval model should focus on the text's most semantically similar video sub-regions to make a more relevant comparison. Yet, most existing works aggregate entire videos without directly considering text. Common text-agnostic aggregations schemes include mean-pooling or self-attention over the frames, but these are likely to encode misleading visual information not described in the given text. To address this, we propose a cross-modal attention model called X-Pool that reasons between a text and the frames of a video. Our core mechanism is a scaled dot product attention for a text to attend to its most semantically similar frames. We then generate an aggregated video representation conditioned on the text's attention weights over the frames. We evaluate our method on three benchmark datasets of MSR-VTT, MSVD and LSMDC, achieving new state-of-the-art results by up to 12% in relative improvement in Recall@1. Our findings thereby highlight the importance of joint text-video reasoning to extract important visual cues according to text. Full code and demo can be found at: https://layer6ai-labs.github.io/xpool/

A growing number of state-of-the-art transfer learning methods employ language models pretrained on large generic corpora. In this paper we present a conceptually simple and effective transfer learning approach that addresses the problem of catastrophic forgetting. Specifically, we combine the task-specific optimization function with an auxiliary language model objective, which is adjusted during the training process. This preserves language regularities captured by language models, while enabling sufficient adaptation for solving the target task. Our method does not require pretraining or finetuning separate components of the network and we train our models end-to-end in a single step. We present results on a variety of challenging affective and text classification tasks, surpassing well established transfer learning methods with greater level of complexity.

As the capabilities of artificial agents improve, they are being increasingly deployed to service multiple diverse objectives and stakeholders. However, the composition of these objectives is often performed ad hoc, with no clear justification. This paper takes a normative approach to multi-objective agency: from a set of intuitively appealing axioms, it is shown that Markovian aggregation of Markovian reward functions is not possible when the time preference (discount factor) for each objective may vary. It follows that optimal multi-objective agents must admit rewards that are non-Markovian with respect to the individual objectives. To this end, a practical non-Markovian aggregation scheme is proposed, which overcomes the impossibility with only one additional parameter for each objective. This work offers new insights into sequential, multi-objective agency and intertemporal choice, and has practical implications for the design of AI systems deployed to serve multiple generations of principals with varying time preference.

Image segmentation is a largely researched field where neural networks find vast applications in many facets of technology. Some of the most popular approaches to train segmentation networks employ loss functions optimizing pixel-overlap, an objective that is insufficient for many segmentation tasks. In recent years, their limitations fueled a growing interest in topology-aware methods, which aim to recover the correct topology of the segmented structures. However, so far, none of the existing approaches achieve a spatially correct matching between the topological features of ground truth and prediction. In this work, we propose the first topologically and feature-wise accurate metric and loss function for supervised image segmentation, which we term Betti matching. We show how induced matchings guarantee the spatially correct matching between barcodes in a segmentation setting. Furthermore, we propose an efficient algorithm to compute the Betti matching of images. We show that the Betti matching error is an interpretable metric to evaluate the topological correctness of segmentations, which is more sensitive than the well-established Betti number error. Moreover, the differentiability of the Betti matching loss enables its use as a loss function. It improves the topological performance of segmentation networks across six diverse datasets while preserving the volumetric performance. Our code is available in https://github.com/nstucki/Betti-matching.

In this work, we explore the mechanism of in-context learning (ICL) on out-of-distribution (OOD) tasks that were not encountered during training. To achieve this, we conduct synthetic experiments where the objective is to learn OOD mathematical functions through ICL using a GPT-2 model. We reveal that Transformers may struggle to learn OOD task functions through ICL. Specifically, ICL performance resembles implementing a function within the pretraining hypothesis space and optimizing it with gradient descent based on the in-context examples. Additionally, we investigate ICL's well-documented ability to learn unseen abstract labels in context. We demonstrate that such ability only manifests in the scenarios without distributional shifts and, therefore, may not serve as evidence of new-task-learning ability. Furthermore, we assess ICL's performance on OOD tasks when the model is pretrained on multiple tasks. Both empirical and theoretical analyses demonstrate the existence of the low-test-error preference of ICL, where it tends to implement the pretraining function that yields low test error in the testing context. We validate this through numerical experiments. This new theoretical result, combined with our empirical findings, elucidates the mechanism of ICL in addressing OOD tasks.

Preference Optimization (PO) has proven an effective step for aligning language models to human-desired behaviors. Current variants, following the offline Direct Preference Optimization objective, have focused on a strict setting where all tokens are contributing signals of KL divergence and rewards to the loss function. However, human preference is not affected by each word in a sequence equally but is often dependent on specific words or phrases, e.g. existence of toxic terms leads to non-preferred responses. Based on this observation, we argue that not all tokens should be weighted equally during PO and propose a flexible objective termed SparsePO, that aims to automatically learn to weight the KL divergence and reward corresponding to each token during PO training. We propose two different variants of weight-masks that can either be derived from the reference model itself or learned on the fly. Notably, our method induces sparsity in the learned masks, allowing the model to learn how to best weight reward and KL divergence contributions at the token level, learning an optimal level of mask sparsity. Extensive experiments on multiple domains, including sentiment control, dialogue, text summarization and text-to-code generation, illustrate that our approach assigns meaningful weights to tokens according to the target task, generates more responses with the desired preference and improves reasoning tasks by up to 2 percentage points compared to other token- and response-level PO methods.

Equilibrium propagation (EP) is a compelling alternative to the backpropagation of error algorithm (BP) for computing gradients of neural networks on biological or analog neuromorphic substrates. Still, the algorithm requires weight symmetry and infinitesimal equilibrium perturbations, i.e., nudges, to estimate unbiased gradients efficiently. Both requirements are challenging to implement in physical systems. Yet, whether and how weight asymmetry affects its applicability is unknown because, in practice, it may be masked by biases introduced through the finite nudge. To address this question, we study generalized EP, which can be formulated without weight symmetry, and analytically isolate the two sources of bias. For complex-differentiable non-symmetric networks, we show that the finite nudge does not pose a problem, as exact derivatives can still be estimated via a Cauchy integral. In contrast, weight asymmetry introduces bias resulting in low task performance due to poor alignment of EP's neuronal error vectors compared to BP. To mitigate this issue, we present a new homeostatic objective that directly penalizes functional asymmetries of the Jacobian at the network's fixed point. This homeostatic objective dramatically improves the network's ability to solve complex tasks such as ImageNet 32x32. Our results lay the theoretical groundwork for studying and mitigating the adverse effects of imperfections of physical networks on learning algorithms that rely on the substrate's relaxation dynamics.

We present Language-Image Value learning (LIV), a unified objective for vision-language representation and reward learning from action-free videos with text annotations. Exploiting a novel connection between dual reinforcement learning and mutual information contrastive learning, the LIV objective trains a multi-modal representation that implicitly encodes a universal value function for tasks specified as language or image goals. We use LIV to pre-train the first control-centric vision-language representation from large human video datasets such as EpicKitchen. Given only a language or image goal, the pre-trained LIV model can assign dense rewards to each frame in videos of unseen robots or humans attempting that task in unseen environments. Further, when some target domain-specific data is available, the same objective can be used to fine-tune and improve LIV and even other pre-trained representations for robotic control and reward specification in that domain. In our experiments on several simulated and real-world robot environments, LIV models consistently outperform the best prior input state representations for imitation learning, as well as reward specification methods for policy synthesis. Our results validate the advantages of joint vision-language representation and reward learning within the unified, compact LIV framework.

Text-to-image diffusion models benefit artists with high-quality image generation. Yet its stochastic nature prevent artists from creating consistent images of the same character. Existing methods try to tackle this challenge and generate consistent content in various ways. However, they either depend on external data or require expensive tuning of the diffusion model. For this issue, we argue that a lightweight but intricate guidance is enough to function. Aiming at this, we lead the way to formalize the objective of consistent generation, derive a clustering-based score function and propose a novel paradigm, OneActor. We design a cluster-conditioned model which incorporates posterior samples to guide the denoising trajectories towards the target cluster. To overcome the overfitting challenge shared by one-shot tuning pipelines, we devise auxiliary components to simultaneously augment the tuning and regulate the inference. This technique is later verified to significantly enhance the content diversity of generated images. Comprehensive experiments show that our method outperforms a variety of baselines with satisfactory character consistency, superior prompt conformity as well as high image quality. And our method is at least 4 times faster than tuning-based baselines. Furthermore, to our best knowledge, we first prove that the semantic space has the same interpolation property as the latent space dose. This property can serve as another promising tool for fine generation control.

Implementing a reward function that perfectly captures a complex task in the real world is impractical. As a result, it is often appropriate to think of the reward function as a proxy for the true objective rather than as its definition. We study this phenomenon through the lens of Goodhart's law, which predicts that increasing optimisation of an imperfect proxy beyond some critical point decreases performance on the true objective. First, we propose a way to quantify the magnitude of this effect and show empirically that optimising an imperfect proxy reward often leads to the behaviour predicted by Goodhart's law for a wide range of environments and reward functions. We then provide a geometric explanation for why Goodhart's law occurs in Markov decision processes. We use these theoretical insights to propose an optimal early stopping method that provably avoids the aforementioned pitfall and derive theoretical regret bounds for this method. Moreover, we derive a training method that maximises worst-case reward, for the setting where there is uncertainty about the true reward function. Finally, we evaluate our early stopping method experimentally. Our results support a foundation for a theoretically-principled study of reinforcement learning under reward misspecification.

We consider a class of structured fractional minimization problems, in which the numerator part of the objective is the sum of a differentiable convex function and a convex non-smooth function, while the denominator part is a convex or concave function. This problem is difficult to solve since it is non-convex. By exploiting the structure of the problem, we propose two Coordinate Descent (CD) methods for solving this problem. The proposed methods iteratively solve a one-dimensional subproblem globally, and they are guaranteed to converge to coordinate-wise stationary points. In the case of a convex denominator, under a weak locally bounded non-convexity condition, we prove that the optimality of coordinate-wise stationary point is stronger than that of the standard critical point and directional point. Under additional suitable conditions, CD methods converge Q-linearly to coordinate-wise stationary points. In the case of a concave denominator, we show that any critical point is a global minimum, and CD methods converge to the global minimum with a sublinear convergence rate. We demonstrate the applicability of the proposed methods to some machine learning and signal processing models. Our experiments on real-world data have shown that our method significantly and consistently outperforms existing methods in terms of accuracy.

We introduce a state-of-the-art real-time, high-fidelity, audio codec leveraging neural networks. It consists in a streaming encoder-decoder architecture with quantized latent space trained in an end-to-end fashion. We simplify and speed-up the training by using a single multiscale spectrogram adversary that efficiently reduces artifacts and produce high-quality samples. We introduce a novel loss balancer mechanism to stabilize training: the weight of a loss now defines the fraction of the overall gradient it should represent, thus decoupling the choice of this hyper-parameter from the typical scale of the loss. Finally, we study how lightweight Transformer models can be used to further compress the obtained representation by up to 40%, while staying faster than real time. We provide a detailed description of the key design choices of the proposed model including: training objective, architectural changes and a study of various perceptual loss functions. We present an extensive subjective evaluation (MUSHRA tests) together with an ablation study for a range of bandwidths and audio domains, including speech, noisy-reverberant speech, and music. Our approach is superior to the baselines methods across all evaluated settings, considering both 24 kHz monophonic and 48 kHz stereophonic audio. Code and models are available at github.com/facebookresearch/encodec.

Large Language Models (LLMs) have recently demonstrated remarkable coding capabilities. However, assessing code generation based on well-formed properties and aligning it with developer preferences remains challenging. In this paper, we explore two key questions under the new challenge of code preference learning: (i) How do we train models to predict meaningful preferences for code? and (ii) How do human and LLM preferences align with verifiable code properties and developer code tastes? To this end, we propose CodeFavor, a framework for training pairwise code preference models from synthetic evolution data, including code commits and code critiques. To evaluate code preferences, we introduce CodePrefBench, a benchmark comprising 1364 rigorously curated code preference tasks to cover three verifiable properties-correctness, efficiency, and security-along with human preference. Our evaluation shows that CodeFavor holistically improves the accuracy of model-based code preferences by up to 28.8%. Meanwhile, CodeFavor models can match the performance of models with 6-9x more parameters while being 34x more cost-effective. We also rigorously validate the design choices in CodeFavor via a comprehensive set of controlled experiments. Furthermore, we discover the prohibitive costs and limitations of human-based code preference: despite spending 23.4 person-minutes on each task, 15.1-40.3% of tasks remain unsolved. Compared to model-based preference, human preference tends to be more accurate under the objective of code correctness, while being sub-optimal for non-functional objectives.

The entropic fictitious play (EFP) is a recently proposed algorithm that minimizes the sum of a convex functional and entropy in the space of measures -- such an objective naturally arises in the optimization of a two-layer neural network in the mean-field regime. In this work, we provide a concise primal-dual analysis of EFP in the setting where the learning problem exhibits a finite-sum structure. We establish quantitative global convergence guarantees for both the continuous-time and discrete-time dynamics based on properties of a proximal Gibbs measure introduced in Nitanda et al. (2022). Furthermore, our primal-dual framework entails a memory-efficient particle-based implementation of the EFP update, and also suggests a connection to gradient boosting methods. We illustrate the efficiency of our novel implementation in experiments including neural network optimization and image synthesis.

High-quality text embedding is pivotal in improving semantic textual similarity (STS) tasks, which are crucial components in Large Language Model (LLM) applications. However, a common challenge existing text embedding models face is the problem of vanishing gradients, primarily due to their reliance on the cosine function in the optimization objective, which has saturation zones. To address this issue, this paper proposes a novel angle-optimized text embedding model called AnglE. The core idea of AnglE is to introduce angle optimization in a complex space. This novel approach effectively mitigates the adverse effects of the saturation zone in the cosine function, which can impede gradient and hinder optimization processes. To set up a comprehensive STS evaluation, we experimented on existing short-text STS datasets and a newly collected long-text STS dataset from GitHub Issues. Furthermore, we examine domain-specific STS scenarios with limited labeled data and explore how AnglE works with LLM-annotated data. Extensive experiments were conducted on various tasks including short-text STS, long-text STS, and domain-specific STS tasks. The results show that AnglE outperforms the state-of-the-art (SOTA) STS models that ignore the cosine saturation zone. These findings demonstrate the ability of AnglE to generate high-quality text embeddings and the usefulness of angle optimization in STS.

Language Model Programs, i.e. sophisticated pipelines of modular language model (LM) calls, are increasingly advancing NLP tasks, but they require crafting prompts that are jointly effective for all modules. We study prompt optimization for LM programs, i.e. how to update these prompts to maximize a downstream metric without access to module-level labels or gradients. To make this tractable, we factorize our problem into optimizing the free-form instructions and few-shot demonstrations of every module and introduce several strategies to craft task-grounded instructions and navigate credit assignment across modules. Our strategies include (i) program- and data-aware techniques for proposing effective instructions, (ii) a stochastic mini-batch evaluation function for learning a surrogate model of our objective, and (iii) a meta-optimization procedure in which we refine how LMs construct proposals over time. Using these insights we develop MIPRO, a novel algorithm for optimizing LM programs. MIPRO outperforms baseline optimizers on five of seven diverse multi-stage LM programs using a best-in-class open-source model (Llama-3-8B), by as high as 13% accuracy. We have released our new optimizers and benchmark in DSPy at http://dspy.ai

Adapting Large Language Models (LLMs) for agent tasks is critical in developing language agents. Direct Preference Optimization (DPO) is a promising technique for this adaptation with the alleviation of compounding errors, offering a means to directly optimize Reinforcement Learning (RL) objectives. However, applying DPO to multi-turn tasks presents challenges due to the inability to cancel the partition function. Overcoming this obstacle involves making the partition function independent of the current state and addressing length disparities between preferred and dis-preferred trajectories. In this light, we replace the policy constraint with the state-action occupancy measure constraint in the RL objective and add length normalization to the Bradley-Terry model, yielding a novel loss function named DMPO for multi-turn agent tasks with theoretical explanations. Extensive experiments on three multi-turn agent task datasets confirm the effectiveness and superiority of the DMPO loss. The code is available at https://github.com/swt-user/DMPO.

Model evolution and constant availability of data are two common phenomena in large-scale real-world machine learning applications, e.g. ads and recommendation systems. To adapt, the real-world system typically retrain with all available data and online learn with recently available data to update the models periodically with the goal of better serving performance. In this paper, we propose a novel framework, named Confidence Ranking, which designs the optimization objective as a ranking function with two different models. Our confidence ranking loss allows direct optimization of the logits output for different convex surrogate functions of metrics, e.g. AUC and Accuracy depending on the target task and dataset. Armed with our proposed methods, our experiments show that the introduction of confidence ranking loss can outperform all baselines on the CTR prediction tasks of public and industrial datasets. This framework has been deployed in the advertisement system of JD.com to serve the main traffic in the fine-rank stage.

Obtaining large pre-trained models that can be fine-tuned to new tasks with limited annotated samples has remained an open challenge for medical imaging data. While pre-trained deep networks on ImageNet and vision-language foundation models trained on web-scale data are prevailing approaches, their effectiveness on medical tasks is limited due to the significant domain shift between natural and medical images. To bridge this gap, we introduce LVM-Med, the first family of deep networks trained on large-scale medical datasets. We have collected approximately 1.3 million medical images from 55 publicly available datasets, covering a large number of organs and modalities such as CT, MRI, X-ray, and Ultrasound. We benchmark several state-of-the-art self-supervised algorithms on this dataset and propose a novel self-supervised contrastive learning algorithm using a graph-matching formulation. The proposed approach makes three contributions: (i) it integrates prior pair-wise image similarity metrics based on local and global information; (ii) it captures the structural constraints of feature embeddings through a loss function constructed via a combinatorial graph-matching objective; and (iii) it can be trained efficiently end-to-end using modern gradient-estimation techniques for black-box solvers. We thoroughly evaluate the proposed LVM-Med on 15 downstream medical tasks ranging from segmentation and classification to object detection, and both for the in and out-of-distribution settings. LVM-Med empirically outperforms a number of state-of-the-art supervised, self-supervised, and foundation models. For challenging tasks such as Brain Tumor Classification or Diabetic Retinopathy Grading, LVM-Med improves previous vision-language models trained on 1 billion masks by 6-7% while using only a ResNet-50.

This study explores the concept of equivariance in vision-language foundation models (VLMs), focusing specifically on the multimodal similarity function that is not only the major training objective but also the core delivery to support downstream tasks. Unlike the existing image-text similarity objective which only categorizes matched pairs as similar and unmatched pairs as dissimilar, equivariance also requires similarity to vary faithfully according to the semantic changes. This allows VLMs to generalize better to nuanced and unseen multimodal compositions. However, modeling equivariance is challenging as the ground truth of semantic change is difficult to collect. For example, given an image-text pair about a dog, it is unclear to what extent the similarity changes when the pixel is changed from dog to cat? To this end, we propose EqSim, a regularization loss that can be efficiently calculated from any two matched training pairs and easily pluggable into existing image-text retrieval fine-tuning. Meanwhile, to further diagnose the equivariance of VLMs, we present a new challenging benchmark EqBen. Compared to the existing evaluation sets, EqBen is the first to focus on "visual-minimal change". Extensive experiments show the lack of equivariance in current VLMs and validate the effectiveness of EqSim. Code is available at https://github.com/Wangt-CN/EqBen.

Self-supervised representation learning of biological sequence embeddings alleviates computational resource constraints on downstream tasks while circumventing expensive experimental label acquisition. However, existing methods mostly borrow directly from large language models designed for NLP, rather than with bioinformatics philosophies in mind. Recently, contrastive mutual information maximization methods have achieved state-of-the-art representations for ImageNet. In this perspective piece, we discuss how viewing evolution as natural sequence augmentation and maximizing information across phylogenetic "noisy channels" is a biologically and theoretically desirable objective for pretraining encoders. We first provide a review of current contrastive learning literature, then provide an illustrative example where we show that contrastive learning using evolutionary augmentation can be used as a representation learning objective which maximizes the mutual information between biological sequences and their conserved function, and finally outline rationale for this approach.

We present a flow-based approach to the optimal transport (OT) problem between two continuous distributions pi_0,pi_1 on R^d, of minimizing a transport cost E[c(X_1-X_0)] in the set of couplings (X_0,X_1) whose marginal distributions on X_0,X_1 equals pi_0,pi_1, respectively, where c is a cost function. Our method iteratively constructs a sequence of neural ordinary differentiable equations (ODE), each learned by solving a simple unconstrained regression problem, which monotonically reduce the transport cost while automatically preserving the marginal constraints. This yields a monotonic interior approach that traverses inside the set of valid couplings to decrease the transport cost, which distinguishes itself from most existing approaches that enforce the coupling constraints from the outside. The main idea of the method draws from rectified flow, a recent approach that simultaneously decreases the whole family of transport costs induced by convex functions c (and is hence multi-objective in nature), but is not tailored to minimize a specific transport cost. Our method is a single-object variant of rectified flow that guarantees to solve the OT problem for a fixed, user-specified convex cost function c.

The capabilities of Large Language Models (LLMs) in code generation, particularly for implementing target functionalities from natural language descriptions, have been extensively studied. As an alternative form of natural language, input-output examples (I/O examples) provide an accessible, unambiguous, and flexible way to describe functionalities, but the diversity, sparseness, and incompleteness of I/O examples also place challenges on understanding and implementing requirements. Therefore, generating code from input-output examples (i.e., example-based code generation) provides a new perspective, allowing us to evaluate LLMs' capability to infer target functionalities from limited information and to process new-form requirements. However, related research about LLMs in example-based code generation remains largely unexplored. To fill this gap, this paper presents the first comprehensive study on example-based code generation using LLMs. To address the incorrectness caused by the incompleteness of I/O examples, we adopt an iterative evaluation framework and formalize the objective of example-based code generation as two sequential sub-objectives: generating code conforming to given examples and generating code that successfully implements the target functionalities from (iteratively) given examples. We assess six state-of-the-art LLMs using a new benchmark of 168 diverse target functionalities. The results demonstrate that when requirements were described using iterative I/O examples rather than natural language, the LLMs' score decreased by over 60%, indicating that example-based code generation remains challenging for the evaluated LLMs. More interestingly, the vast majority (even over 95%) of successfully implemented functionalities are achieved in the first round of iterations, suggesting that the LLMs struggle to effectively utilize the iteratively supplemented requirements.

AISHELL-1 is by far the largest open-source speech corpus available for Mandarin speech recognition research. It was released with a baseline system containing solid training and testing pipelines for Mandarin ASR. In AISHELL-2, 1000 hours of clean read-speech data from iOS is published, which is free for academic usage. On top of AISHELL-2 corpus, an improved recipe is developed and released, containing key components for industrial applications, such as Chinese word segmentation, flexible vocabulary expension and phone set transformation etc. Pipelines support various state-of-the-art techniques, such as time-delayed neural networks and Lattic-Free MMI objective funciton. In addition, we also release dev and test data from other channels(Android and Mic). For research community, we hope that AISHELL-2 corpus can be a solid resource for topics like transfer learning and robust ASR. For industry, we hope AISHELL-2 recipe can be a helpful reference for building meaningful industrial systems and products.

In many applications of machine learning, like drug discovery and material design, the goal is to generate candidates that simultaneously maximize a set of objectives. As these objectives are often conflicting, there is no single candidate that simultaneously maximizes all objectives, but rather a set of Pareto-optimal candidates where one objective cannot be improved without worsening another. Moreover, in practice, these objectives are often under-specified, making the diversity of candidates a key consideration. The existing multi-objective optimization methods focus predominantly on covering the Pareto front, failing to capture diversity in the space of candidates. Motivated by the success of GFlowNets for generation of diverse candidates in a single objective setting, in this paper we consider Multi-Objective GFlowNets (MOGFNs). MOGFNs consist of a novel Conditional GFlowNet which models a family of single-objective sub-problems derived by decomposing the multi-objective optimization problem. Our work is the first to empirically demonstrate conditional GFlowNets. Through a series of experiments on synthetic and benchmark tasks, we empirically demonstrate that MOGFNs outperform existing methods in terms of Hypervolume, R2-distance and candidate diversity. We also demonstrate the effectiveness of MOGFNs over existing methods in active learning settings. Finally, we supplement our empirical results with a careful analysis of each component of MOGFNs.

In this research, we compare four different evaluation methods in coevolution on the Majority Function problem. The size of the problem is selected such that evaluation against all possible test cases is feasible. Two measures are used for the comparisons, i.e., the objective fitness derived from evaluating solutions against all test cases, and the objective fitness correlation (OFC), which is defined as the correlation coefficient between subjective and objective fitness. The results of our experiments suggest that a combination of average score and weighted informativeness may provide a more accurate evaluation in coevolution. In order to confirm this difference, a series of t-tests on the preference between each pair of the evaluation methods is performed. The resulting significance is affirmative, and the tests for two quality measures show similar preference on four evaluation methods. %This study is the first time OFC is actually computed on a real problem. Experiments on Majority Function problems with larger sizes and Parity problems are in progress, and their results will be added in the final version.

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a target space (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the SSO algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for SSO when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of SSO.

We present new algorithms for optimizing non-smooth, non-convex stochastic objectives based on a novel analysis technique. This improves the current best-known complexity for finding a (delta,epsilon)-stationary point from O(epsilon^{-4}delta^{-1}) stochastic gradient queries to O(epsilon^{-3}delta^{-1}), which we also show to be optimal. Our primary technique is a reduction from non-smooth non-convex optimization to online learning, after which our results follow from standard regret bounds in online learning. For deterministic and second-order smooth objectives, applying more advanced optimistic online learning techniques enables a new complexity of O(epsilon^{-1.5}delta^{-0.5}). Our techniques also recover all optimal or best-known results for finding epsilon stationary points of smooth or second-order smooth objectives in both stochastic and deterministic settings.

Learning unnormalized statistical models (e.g., energy-based models) is computationally challenging due to the complexity of handling the partition function. To eschew this complexity, noise-contrastive estimation~(NCE) has been proposed by formulating the objective as the logistic loss of the real data and the artificial noise. However, as found in previous works, NCE may perform poorly in many tasks due to its flat loss landscape and slow convergence. In this paper, we study it a direct approach for optimizing the negative log-likelihood of unnormalized models from the perspective of compositional optimization. To tackle the partition function, a noise distribution is introduced such that the log partition function can be written as a compositional function whose inner function can be estimated with stochastic samples. Hence, the objective can be optimized by stochastic compositional optimization algorithms. Despite being a simple method, we demonstrate that it is more favorable than NCE by (1) establishing a fast convergence rate and quantifying its dependence on the noise distribution through the variance of stochastic estimators; (2) developing better results for one-dimensional Gaussian mean estimation by showing our objective has a much favorable loss landscape and hence our method enjoys faster convergence; (3) demonstrating better performance on multiple applications, including density estimation, out-of-distribution detection, and real image generation.

Multiobjective optimization plays an increasingly important role in modern applications, where several criteria are often of equal importance. The task in multiobjective optimization and multiobjective optimal control is therefore to compute the set of optimal compromises (the Pareto set) between the conflicting objectives. The advances in algorithms and the increasing interest in Pareto-optimal solutions have led to a wide range of new applications related to optimal and feedback control - potentially with non-smoothness both on the level of the objectives or in the system dynamics. This results in new challenges such as dealing with expensive models (e.g., governed by partial differential equations (PDEs)) and developing dedicated algorithms handling the non-smoothness. Since in contrast to single-objective optimization, the Pareto set generally consists of an infinite number of solutions, the computational effort can quickly become challenging, which is particularly problematic when the objectives are costly to evaluate or when a solution has to be presented very quickly. This article gives an overview of recent developments in the field of multiobjective optimization of non-smooth PDE-constrained problems. In particular we report on the advances achieved within Project 2 "Multiobjective Optimization of Non-Smooth PDE-Constrained Problems - Switches, State Constraints and Model Order Reduction" of the DFG Priority Programm 1962 "Non-smooth and Complementarity-based Distributed Parameter Systems: Simulation and Hierarchical Optimization".

We propose a novel approach to addressing two fundamental challenges in Model-based Reinforcement Learning (MBRL): the computational expense of repeatedly finding a good policy in the learned model, and the objective mismatch between model fitting and policy computation. Our "lazy" method leverages a novel unified objective, Performance Difference via Advantage in Model, to capture the performance difference between the learned policy and expert policy under the true dynamics. This objective demonstrates that optimizing the expected policy advantage in the learned model under an exploration distribution is sufficient for policy computation, resulting in a significant boost in computational efficiency compared to traditional planning methods. Additionally, the unified objective uses a value moment matching term for model fitting, which is aligned with the model's usage during policy computation. We present two no-regret algorithms to optimize the proposed objective, and demonstrate their statistical and computational gains compared to existing MBRL methods through simulated benchmarks.

Neural networks have proven to be a highly effective tool for solving complex problems in many areas of life. Recently, their importance and practical usability have further been reinforced with the advent of deep learning. One of the important conditions for the success of neural networks is the choice of an appropriate activation function introducing non-linearity into the model. Many types of these functions have been proposed in the literature in the past, but there is no single comprehensive source containing their exhaustive overview. The absence of this overview, even in our experience, leads to redundancy and the unintentional rediscovery of already existing activation functions. To bridge this gap, our paper presents an extensive survey involving 400 activation functions, which is several times larger in scale than previous surveys. Our comprehensive compilation also references these surveys; however, its main goal is to provide the most comprehensive overview and systematization of previously published activation functions with links to their original sources. The secondary aim is to update the current understanding of this family of functions.

We present a general convergent class of reinforcement learning algorithms that is founded on two distinct principles: (1) mapping value estimates to a different space using arbitrary functions from a broad class, and (2) linearly decomposing the reward signal into multiple channels. The first principle enables incorporating specific properties into the value estimator that can enhance learning. The second principle, on the other hand, allows for the value function to be represented as a composition of multiple utility functions. This can be leveraged for various purposes, e.g. dealing with highly varying reward scales, incorporating a priori knowledge about the sources of reward, and ensemble learning. Combining the two principles yields a general blueprint for instantiating convergent algorithms by orchestrating diverse mapping functions over multiple reward channels. This blueprint generalizes and subsumes algorithms such as Q-Learning, Log Q-Learning, and Q-Decomposition. In addition, our convergence proof for this general class relaxes certain required assumptions in some of these algorithms. Based on our theory, we discuss several interesting configurations as special cases. Finally, to illustrate the potential of the design space that our theory opens up, we instantiate a particular algorithm and evaluate its performance on the Atari suite.

Intersection over Union (IoU) is the most popular evaluation metric used in the object detection benchmarks. However, there is a gap between optimizing the commonly used distance losses for regressing the parameters of a bounding box and maximizing this metric value. The optimal objective for a metric is the metric itself. In the case of axis-aligned 2D bounding boxes, it can be shown that IoU can be directly used as a regression loss. However, IoU has a plateau making it infeasible to optimize in the case of non-overlapping bounding boxes. In this paper, we address the weaknesses of IoU by introducing a generalized version as both a new loss and a new metric. By incorporating this generalized IoU (GIoU) as a loss into the state-of-the art object detection frameworks, we show a consistent improvement on their performance using both the standard, IoU based, and new, GIoU based, performance measures on popular object detection benchmarks such as PASCAL VOC and MS COCO.

When trying to solve a computational problem, we are often faced with a choice between algorithms that are guaranteed to return the right answer but differ in their runtime distributions (e.g., SAT solvers, sorting algorithms). This paper aims to lay theoretical foundations for such choices by formalizing preferences over runtime distributions. It might seem that we should simply prefer the algorithm that minimizes expected runtime. However, such preferences would be driven by exactly how slow our algorithm is on bad inputs, whereas in practice we are typically willing to cut off occasional, sufficiently long runs before they finish. We propose a principled alternative, taking a utility-theoretic approach to characterize the scoring functions that describe preferences over algorithms. These functions depend on the way our value for solving our problem decreases with time and on the distribution from which captimes are drawn. We describe examples of realistic utility functions and show how to leverage a maximum-entropy approach for modeling underspecified captime distributions. Finally, we show how to efficiently estimate an algorithm's expected utility from runtime samples.

Multi-objective reinforcement learning (MORL) extends traditional RL by seeking policies making different compromises among conflicting objectives. The recent surge of interest in MORL has led to diverse studies and solving methods, often drawing from existing knowledge in multi-objective optimization based on decomposition (MOO/D). Yet, a clear categorization based on both RL and MOO/D is lacking in the existing literature. Consequently, MORL researchers face difficulties when trying to classify contributions within a broader context due to the absence of a standardized taxonomy. To tackle such an issue, this paper introduces multi-objective reinforcement learning based on decomposition (MORL/D), a novel methodology bridging the literature of RL and MOO. A comprehensive taxonomy for MORL/D is presented, providing a structured foundation for categorizing existing and potential MORL works. The introduced taxonomy is then used to scrutinize MORL research, enhancing clarity and conciseness through well-defined categorization. Moreover, a flexible framework derived from the taxonomy is introduced. This framework accommodates diverse instantiations using tools from both RL and MOO/D. Its versatility is demonstrated by implementing it in different configurations and assessing it on contrasting benchmark problems. Results indicate MORL/D instantiations achieve comparable performance to current state-of-the-art approaches on the studied problems. By presenting the taxonomy and framework, this paper offers a comprehensive perspective and a unified vocabulary for MORL. This not only facilitates the identification of algorithmic contributions but also lays the groundwork for novel research avenues in MORL.

This paper investigates the use of prior computation to estimate the value function to improve sample efficiency in on-policy policy gradient methods in reinforcement learning. Our approach is to estimate the value function from prior computations, such as from the Q-network learned in DQN or the value function trained for different but related environments. In particular, we learn a new value function for the target task while combining it with a value estimate from the prior computation. Finally, the resulting value function is used as a baseline in the policy gradient method. This use of a baseline has the theoretical property of reducing variance in gradient computation and thus improving sample efficiency. The experiments show the successful use of prior value estimates in various settings and improved sample efficiency in several tasks.

The core challenge of high-dimensional and expensive black-box optimization (BBO) is how to obtain better performance faster with little function evaluation cost. The essence of the problem is how to design an efficient optimization strategy tailored to the target task. This paper designs a powerful optimization framework to automatically learn the optimization strategies from the target or cheap surrogate task without human intervention. However, current methods are weak for this due to poor representation of optimization strategy. To achieve this, 1) drawing on the mechanism of genetic algorithm, we propose a deep neural network framework called B2Opt, which has a stronger representation of optimization strategies based on survival of the fittest; 2) B2Opt can utilize the cheap surrogate functions of the target task to guide the design of the efficient optimization strategies. Compared to the state-of-the-art BBO baselines, B2Opt can achieve multiple orders of magnitude performance improvement with less function evaluation cost. We validate our proposal on high-dimensional synthetic functions and two real-world applications. We also find that deep B2Opt performs better than shallow ones.

Reinforcement learning (RL) has emerged as a powerful approach for tackling complex problems. The recent introduction of multi-objective reinforcement learning (MORL) has further expanded the scope of RL by enabling agents to make trade-offs among multiple objectives. This advancement not only has broadened the range of problems that can be tackled but also created numerous opportunities for exploration and advancement. Yet, the effectiveness of RL agents heavily relies on appropriately setting their hyperparameters. In practice, this task often proves to be challenging, leading to unsuccessful deployments of these techniques in various instances. Hence, prior research has explored hyperparameter optimization in RL to address this concern. This paper presents an initial investigation into the challenge of hyperparameter optimization specifically for MORL. We formalize the problem, highlight its distinctive challenges, and propose a systematic methodology to address it. The proposed methodology is applied to a well-known environment using a state-of-the-art MORL algorithm, and preliminary results are reported. Our findings indicate that the proposed methodology can effectively provide hyperparameter configurations that significantly enhance the performance of MORL agents. Furthermore, this study identifies various future research opportunities to further advance the field of hyperparameter optimization for MORL.

We consider algorithms for learning reward functions from human preferences over pairs of trajectory segments, as used in reinforcement learning from human feedback (RLHF). Most recent work assumes that human preferences are generated based only upon the reward accrued within those segments, or their partial return. Recent work casts doubt on the validity of this assumption, proposing an alternative preference model based upon regret. We investigate the consequences of assuming preferences are based upon partial return when they actually arise from regret. We argue that the learned function is an approximation of the optimal advantage function, A^*_r, not a reward function. We find that if a specific pitfall is addressed, this incorrect assumption is not particularly harmful, resulting in a highly shaped reward function. Nonetheless, this incorrect usage of A^*_r is less desirable than the appropriate and simpler approach of greedy maximization of A^*_r. From the perspective of the regret preference model, we also provide a clearer interpretation of fine tuning contemporary large language models with RLHF. This paper overall provides insight regarding why learning under the partial return preference model tends to work so well in practice, despite it conforming poorly to how humans give preferences.

Both online and offline RLHF methods such as PPO and DPO have been extremely successful in aligning AI with human preferences. Despite their success, the existing methods suffer from a fundamental problem that their optimal solution is highly task-dependent (i.e., not robust to out-of-distribution (OOD) tasks). Here we address this challenge by proposing Self-Improving Robust Preference Optimization SRPO, a practical and mathematically principled offline RLHF framework that is completely robust to the changes in the task. The key idea of SRPO is to cast the problem of learning from human preferences as a self-improvement process, which can be mathematically expressed in terms of a min-max objective that aims at joint optimization of self-improvement policy and the generative policy in an adversarial fashion. The solution for this optimization problem is independent of the training task and thus it is robust to its changes. We then show that this objective can be re-expressed in the form of a non-adversarial offline loss which can be optimized using standard supervised optimization techniques at scale without any need for reward model and online inference. We show the effectiveness of SRPO in terms of AI Win-Rate (WR) against human (GOLD) completions. In particular, when SRPO is evaluated on the OOD XSUM dataset, it outperforms the celebrated DPO by a clear margin of 15% after 5 self-revisions, achieving WR of 90%.

Generative Flow Networks (GFlowNets) have been introduced as a method to sample a diverse set of candidates with probabilities proportional to a given reward. However, GFlowNets can only be used with a predefined scalar reward, which can be either computationally expensive or not directly accessible, in the case of multi-objective optimization (MOO) tasks for example. Moreover, to prioritize identifying high-reward candidates, the conventional practice is to raise the reward to a higher exponent, the optimal choice of which may vary across different environments. To address these issues, we propose Order-Preserving GFlowNets (OP-GFNs), which sample with probabilities in proportion to a learned reward function that is consistent with a provided (partial) order on the candidates, thus eliminating the need for an explicit formulation of the reward function. We theoretically prove that the training process of OP-GFNs gradually sparsifies the learned reward landscape in single-objective maximization tasks. The sparsification concentrates on candidates of a higher hierarchy in the ordering, ensuring exploration at the beginning and exploitation towards the end of the training. We demonstrate OP-GFN's state-of-the-art performance in single-objective maximization (totally ordered) and multi-objective Pareto front approximation (partially ordered) tasks, including synthetic datasets, molecule generation, and neural architecture search.

We consider the problem of multi-objective alignment of foundation models with human preferences, which is a critical step towards helpful and harmless AI systems. However, it is generally costly and unstable to fine-tune large foundation models using reinforcement learning (RL), and the multi-dimensionality, heterogeneity, and conflicting nature of human preferences further complicate the alignment process. In this paper, we introduce Rewards-in-Context (RiC), which conditions the response of a foundation model on multiple rewards in its prompt context and applies supervised fine-tuning for alignment. The salient features of RiC are simplicity and adaptivity, as it only requires supervised fine-tuning of a single foundation model and supports dynamic adjustment for user preferences during inference time. Inspired by the analytical solution of an abstracted convex optimization problem, our dynamic inference-time adjustment method approaches the Pareto-optimal solution for multiple objectives. Empirical evidence demonstrates the efficacy of our method in aligning both Large Language Models (LLMs) and diffusion models to accommodate diverse rewards with only around 10% GPU hours compared with multi-objective RL baseline.

Optimal transport is an important tool in machine learning, allowing to capture geometric properties of the data through a linear program on transport polytopes. We present a single-loop optimization algorithm for minimizing general convex objectives on these domains, utilizing the principles of Sinkhorn matrix scaling and mirror descent. The proposed algorithm is robust to noise, and can be used in an online setting. We provide theoretical guarantees for convex objectives and experimental results showcasing it effectiveness on both synthetic and real-world data.

Reward functions are difficult to design and often hard to align with human intent. Preference-based Reinforcement Learning (RL) algorithms address these problems by learning reward functions from human feedback. However, the majority of preference-based RL methods na\"ively combine supervised reward models with off-the-shelf RL algorithms. Contemporary approaches have sought to improve performance and query complexity by using larger and more complex reward architectures such as transformers. Instead of using highly complex architectures, we develop a new and parameter-efficient algorithm, Inverse Preference Learning (IPL), specifically designed for learning from offline preference data. Our key insight is that for a fixed policy, the Q-function encodes all information about the reward function, effectively making them interchangeable. Using this insight, we completely eliminate the need for a learned reward function. Our resulting algorithm is simpler and more parameter-efficient. Across a suite of continuous control and robotics benchmarks, IPL attains competitive performance compared to more complex approaches that leverage transformer-based and non-Markovian reward functions while having fewer algorithmic hyperparameters and learned network parameters. Our code is publicly released.

Domain adaptation (DA) attempts to transfer the knowledge from a labeled source domain to an unlabeled target domain that follows different distribution from the source. To achieve this, DA methods include a source classification objective to extract the source knowledge and a domain alignment objective to diminish the domain shift, ensuring knowledge transfer. Typically, former DA methods adopt some weight hyper-parameters to linearly combine the training objectives to form an overall objective. However, the gradient directions of these objectives may conflict with each other due to domain shift. Under such circumstances, the linear optimization scheme might decrease the overall objective value at the expense of damaging one of the training objectives, leading to restricted solutions. In this paper, we rethink the optimization scheme for DA from a gradient-based perspective. We propose a Pareto Domain Adaptation (ParetoDA) approach to control the overall optimization direction, aiming to cooperatively optimize all training objectives. Specifically, to reach a desirable solution on the target domain, we design a surrogate loss mimicking target classification. To improve target-prediction accuracy to support the mimicking, we propose a target-prediction refining mechanism which exploits domain labels via Bayes' theorem. On the other hand, since prior knowledge of weighting schemes for objectives is often unavailable to guide optimization to approach the optimal solution on the target domain, we propose a dynamic preference mechanism to dynamically guide our cooperative optimization by the gradient of the surrogate loss on a held-out unlabeled target dataset. Extensive experiments on image classification and semantic segmentation benchmarks demonstrate the effectiveness of ParetoDA

With the widespread adoption of machine learning systems, the need to curtail their behavior has become increasingly apparent. This is evidenced by recent advancements towards developing models that satisfy robustness, safety, and fairness requirements. These requirements can be imposed (with generalization guarantees) by formulating constrained learning problems that can then be tackled by dual ascent algorithms. Yet, though these algorithms converge in objective value, even in non-convex settings, they cannot guarantee that their outcome is feasible. Doing so requires randomizing over all iterates, which is impractical in virtually any modern applications. Still, final iterates have been observed to perform well in practice. In this work, we address this gap between theory and practice by characterizing the constraint violation of Lagrangian minimizers associated with optimal dual variables, despite lack of convexity. To do this, we leverage the fact that non-convex, finite-dimensional constrained learning problems can be seen as parametrizations of convex, functional problems. Our results show that rich parametrizations effectively mitigate the issue of feasibility in dual methods, shedding light on prior empirical successes of dual learning. We illustrate our findings in fair learning tasks.

Despite recent progress made by large language models in code generation, they still struggle with programs that meet complex requirements. Recent work utilizes plan-and-solve decomposition to decrease the complexity and leverage self-tests to refine the generated program. Yet, planning deep-inside requirements in advance can be challenging, and the tests need to be accurate to accomplish self-improvement. To this end, we propose FunCoder, a code generation framework incorporating the divide-and-conquer strategy with functional consensus. Specifically, FunCoder recursively branches off sub-functions as smaller goals during code generation, represented by a tree hierarchy. These sub-functions are then composited to attain more complex objectives. Additionally, we designate functions via a consensus formed by identifying similarities in program behavior, mitigating error propagation. FunCoder outperforms state-of-the-art methods by +9.8% on average in HumanEval, MBPP, xCodeEval and MATH with GPT-3.5 and GPT-4. Moreover, our method demonstrates superiority on smaller models: With FunCoder, StableCode-3b surpasses GPT-3.5 by +18.6% and achieves 97.7% of GPT-4's performance on HumanEval. Further analysis reveals that our proposed dynamic function decomposition is capable of handling complex requirements, and the functional consensus prevails over self-testing in correctness evaluation.

Recent years have seen considerable progress in the continual training of deep neural networks, predominantly thanks to approaches that add replay or regularization terms to the loss function to approximate the joint loss over all tasks so far. However, we show that even with a perfect approximation to the joint loss, these approaches still suffer from temporary but substantial forgetting when starting to train on a new task. Motivated by this 'stability gap', we propose that continual learning strategies should focus not only on the optimization objective, but also on the way this objective is optimized. While there is some continual learning work that alters the optimization trajectory (e.g., using gradient projection techniques), this line of research is positioned as alternative to improving the optimization objective, while we argue it should be complementary. To evaluate the merits of our proposition, we plan to combine replay-approximated joint objectives with gradient projection-based optimization routines to test whether the addition of the latter provides benefits in terms of (1) alleviating the stability gap, (2) increasing the learning efficiency and (3) improving the final learning outcome.

We introduce a novel neural network-based algorithm to compute optimal transport (OT) plans for general cost functionals. In contrast to common Euclidean costs, i.e., ell^1 or ell^2, such functionals provide more flexibility and allow using auxiliary information, such as class labels, to construct the required transport map. Existing methods for general costs are discrete and have limitations in practice, i.e. they do not provide an out-of-sample estimation. We address the challenge of designing a continuous OT approach for general costs that generalizes to new data points in high-dimensional spaces, such as images. Additionally, we provide the theoretical error analysis for our recovered transport plans. As an application, we construct a cost functional to map data distributions while preserving the class-wise structure.

In Multi-Task Learning (MTL), tasks may compete and limit the performance achieved on each other, rather than guiding the optimization to a solution, superior to all its single-task trained counterparts. Since there is often not a unique solution optimal for all tasks, practitioners have to balance tradeoffs between tasks' performance, and resort to optimality in the Pareto sense. Most MTL methodologies either completely neglect this aspect, and instead of aiming at learning a Pareto Front, produce one solution predefined by their optimization schemes, or produce diverse but discrete solutions. Recent approaches parameterize the Pareto Front via neural networks, leading to complex mappings from tradeoff to objective space. In this paper, we conjecture that the Pareto Front admits a linear parameterization in parameter space, which leads us to propose Pareto Manifold Learning, an ensembling method in weight space. Our approach produces a continuous Pareto Front in a single training run, that allows to modulate the performance on each task during inference. Experiments on multi-task learning benchmarks, ranging from image classification to tabular datasets and scene understanding, show that Pareto Manifold Learning outperforms state-of-the-art single-point algorithms, while learning a better Pareto parameterization than multi-point baselines.

The prevalent deployment of learning from human preferences through reinforcement learning (RLHF) relies on two important approximations: the first assumes that pairwise preferences can be substituted with pointwise rewards. The second assumes that a reward model trained on these pointwise rewards can generalize from collected data to out-of-distribution data sampled by the policy. Recently, Direct Preference Optimisation (DPO) has been proposed as an approach that bypasses the second approximation and learn directly a policy from collected data without the reward modelling stage. However, this method still heavily relies on the first approximation. In this paper we try to gain a deeper theoretical understanding of these practical algorithms. In particular we derive a new general objective called PsiPO for learning from human preferences that is expressed in terms of pairwise preferences and therefore bypasses both approximations. This new general objective allows us to perform an in-depth analysis of the behavior of RLHF and DPO (as special cases of PsiPO) and to identify their potential pitfalls. We then consider another special case for PsiPO by setting Psi simply to Identity, for which we can derive an efficient optimisation procedure, prove performance guarantees and demonstrate its empirical superiority to DPO on some illustrative examples.

Compared to the wide array of advanced Monte Carlo methods supported by modern probabilistic programming languages (PPLs), PPL support for variational inference (VI) is less developed: users are typically limited to a predefined selection of variational objectives and gradient estimators, which are implemented monolithically (and without formal correctness arguments) in PPL backends. In this paper, we propose a more modular approach to supporting variational inference in PPLs, based on compositional program transformation. In our approach, variational objectives are expressed as programs, that may employ first-class constructs for computing densities of and expected values under user-defined models and variational families. We then transform these programs systematically into unbiased gradient estimators for optimizing the objectives they define. Our design enables modular reasoning about many interacting concerns, including automatic differentiation, density accumulation, tracing, and the application of unbiased gradient estimation strategies. Additionally, relative to existing support for VI in PPLs, our design increases expressiveness along three axes: (1) it supports an open-ended set of user-defined variational objectives, rather than a fixed menu of options; (2) it supports a combinatorial space of gradient estimation strategies, many not automated by today's PPLs; and (3) it supports a broader class of models and variational families, because it supports constructs for approximate marginalization and normalization (previously introduced only for Monte Carlo inference). We implement our approach in an extension to the Gen probabilistic programming system (genjax.vi, implemented in JAX), and evaluate on several deep generative modeling tasks, showing minimal performance overhead vs. hand-coded implementations and performance competitive with well-established open-source PPLs.

In problem-solving, we humans can come up with multiple novel solutions to the same problem. However, reinforcement learning algorithms can only produce a set of monotonous policies that maximize the cumulative reward but lack diversity and novelty. In this work, we address the problem of generating novel policies in reinforcement learning tasks. Instead of following the multi-objective framework used in existing methods, we propose to rethink the problem under a novel perspective of constrained optimization. We first introduce a new metric to evaluate the difference between policies and then design two practical novel policy generation methods following the new perspective. The two proposed methods, namely the Constrained Task Novel Bisector (CTNB) and the Interior Policy Differentiation (IPD), are derived from the feasible direction method and the interior point method commonly known in the constrained optimization literature. Experimental comparisons on the MuJoCo control suite show our methods can achieve substantial improvement over previous novelty-seeking methods in terms of both the novelty of policies and their performances in the primal task.

Beyond minimizing a single training loss, many deep learning estimation pipelines rely on an auxiliary objective to quantify and encourage desirable properties of the model (e.g. performance on another dataset, robustness, agreement with a prior). Although the simplest approach to incorporating an auxiliary loss is to sum it with the training loss as a regularizer, recent works have shown that one can improve performance by blending the gradients beyond a simple sum; this is known as gradient surgery. We cast the problem as a constrained minimization problem where the auxiliary objective is minimized among the set of minimizers of the training loss. To solve this bilevel problem, we follow a parameter update direction that combines the training loss gradient and the orthogonal projection of the auxiliary gradient to the training gradient. In a setting where gradients come from mini-batches, we explain how, using a moving average of the training loss gradients, we can carefully maintain this critical orthogonality property. We demonstrate that our method, Bloop, can lead to much better performances on NLP and vision experiments than other gradient surgery methods without EMA.

Offline Reinforcement Learning (RL) is structured to derive policies from static trajectory data without requiring real-time environment interactions. Recent studies have shown the feasibility of framing offline RL as a sequence modeling task, where the sole aim is to predict actions based on prior context using the transformer architecture. However, the limitation of this single task learning approach is its potential to undermine the transformer model's attention mechanism, which should ideally allocate varying attention weights across different tokens in the input context for optimal prediction. To address this, we reformulate offline RL as a multi-objective optimization problem, where the prediction is extended to states and returns. We also highlight a potential flaw in the trajectory representation used for sequence modeling, which could generate inaccuracies when modeling the state and return distributions. This is due to the non-smoothness of the action distribution within the trajectory dictated by the behavioral policy. To mitigate this issue, we introduce action space regions to the trajectory representation. Our experiments on D4RL benchmark locomotion tasks reveal that our propositions allow for more effective utilization of the attention mechanism in the transformer model, resulting in performance that either matches or outperforms current state-of-the art methods.

Large language models (LLMs) have demonstrated remarkable capabilities on a broad spectrum of downstream tasks. Within the realm of software engineering, specialized tasks on code, such as program repair, present unique challenges, necessitating fine-tuning to unlock state-of-the-art performance. Fine-tuning approaches proposed in the literature for LLMs on program repair tasks are however generally overlooking the need to reason about the logic behind code changes, beyond syntactic patterns in the data. High-performing fine-tuning experiments also usually come at very high computational costs. With MORepair, we propose a novel perspective on the learning focus of LLM fine-tuning for program repair: we not only adapt the LLM parameters to the syntactic nuances of the task of code transformation (objective 1), but we also specifically fine-tune the LLM with respect to the logical reason behind the code change in the training data (objective 2). Such a multi-objective fine-tuning will instruct LLMs to generate high-quality patches. We apply MORepair to fine-tune four open-source LLMs with different sizes and architectures. Experimental results on C++ and Java repair benchmarks show that the implemented fine-tuning effectively boosts LLM repair performance by 7.6% to 10% in Top-10 repair suggestions. We further show that our fine-tuning strategy yields superior performance compared to the incumbent state-of-the-art in fine-tuned models for program repair, Fine-tune-CoT and RepairLLaMA.

Population Based Training (PBT) is an efficient hyperparameter optimization algorithm. PBT is a single-objective algorithm, but many real-world hyperparameter optimization problems involve two or more conflicting objectives. In this work, we therefore introduce a multi-objective version of PBT, MO-PBT. Our experiments on diverse multi-objective hyperparameter optimization problems (Precision/Recall, Accuracy/Fairness, Accuracy/Adversarial Robustness) show that MO-PBT outperforms random search, single-objective PBT, and the state-of-the-art multi-objective hyperparameter optimization algorithm MO-ASHA.

Machine learning systems often experience a distribution shift between training and testing. In this paper, we introduce a simple variational objective whose optima are exactly the set of all representations on which risk minimizers are guaranteed to be robust to any distribution shift that preserves the Bayes predictor, e.g., covariate shifts. Our objective has two components. First, a representation must remain discriminative for the task, i.e., some predictor must be able to simultaneously minimize the source and target risk. Second, the representation's marginal support needs to be the same across source and target. We make this practical by designing self-supervised objectives that only use unlabelled data and augmentations to train robust representations. Our objectives give insights into the robustness of CLIP, and further improve CLIP's representations to achieve SOTA results on DomainBed.

Offline preference optimization is a key method for enhancing and controlling the quality of Large Language Model (LLM) outputs. Typically, preference optimization is approached as an offline supervised learning task using manually-crafted convex loss functions. While these methods are based on theoretical insights, they are inherently constrained by human creativity, so the large search space of possible loss functions remains under explored. We address this by performing LLM-driven objective discovery to automatically discover new state-of-the-art preference optimization algorithms without (expert) human intervention. Specifically, we iteratively prompt an LLM to propose and implement new preference optimization loss functions based on previously-evaluated performance metrics. This process leads to the discovery of previously-unknown and performant preference optimization algorithms. The best performing of these we call Discovered Preference Optimization (DiscoPOP), a novel algorithm that adaptively blends logistic and exponential losses. Experiments demonstrate the state-of-the-art performance of DiscoPOP and its successful transfer to held-out tasks.

Reinforcement learning from human feedback (RLHF) has emerged as the primary method for aligning large language models (LLMs) with human preferences. The RLHF process typically starts by training a reward model (RM) using human preference data. Conventional RMs are trained on pairwise responses to the same user request, with relative ratings indicating which response humans prefer. The trained RM serves as a proxy for human preferences. However, due to the black-box nature of RMs, their outputs lack interpretability, as humans cannot intuitively understand why an RM thinks a response is good or not. As RMs act as human preference proxies, we believe they should be human-interpretable to ensure that their internal decision processes are consistent with human preferences and to prevent reward hacking in LLM alignment. To build RMs with interpretable preferences, we propose a two-stage approach: i) train an Absolute-Rating Multi-Objective Reward Model (ArmoRM) with multi-dimensional absolute-rating data, each dimension corresponding to a human-interpretable objective (e.g., honesty, verbosity, safety); ii) employ a Mixture-of-Experts (MoE) strategy with a gating network that automatically selects the most suitable reward objectives based on the context. We efficiently trained an ArmoRM with Llama-3 8B and a gating network consisting of a shallow MLP on top of the ArmoRM. Our trained model, ArmoRM-Llama3-8B, obtains state-of-the-art performance on RewardBench, a benchmark evaluating RMs for language modeling. Notably, the performance of our model surpasses the LLM-as-a-judge method with GPT-4 judges by a margin, and approaches the performance of the much larger Nemotron-4 340B reward model.

A central challenge of the clean energy transition is the development of catalysts for low-emissions technologies. Recent advances in Machine Learning for quantum chemistry drastically accelerate the computation of catalytic activity descriptors such as adsorption energies. Here we introduce AdsorbRL, a Deep Reinforcement Learning agent aiming to identify potential catalysts given a multi-objective binding energy target, trained using offline learning on the Open Catalyst 2020 and Materials Project data sets. We experiment with Deep Q-Network agents to traverse the space of all ~160,000 possible unary, binary and ternary compounds of 55 chemical elements, with very sparse rewards based on adsorption energy known for only between 2,000 and 3,000 catalysts per adsorbate. To constrain the actions space, we introduce Random Edge Traversal and train a single-objective DQN agent on the known states subgraph, which we find strengthens target binding energy by an average of 4.1 eV. We extend this approach to multi-objective, goal-conditioned learning, and train a DQN agent to identify materials with the highest (respectively lowest) adsorption energies for multiple simultaneous target adsorbates. We experiment with Objective Sub-Sampling, a novel training scheme aimed at encouraging exploration in the multi-objective setup, and demonstrate simultaneous adsorption energy improvement across all target adsorbates, by an average of 0.8 eV. Overall, our results suggest strong potential for Deep Reinforcement Learning applied to the inverse catalysts design problem.

Recent representation learning approaches enhance neural topic models by optimizing the weighted linear combination of the evidence lower bound (ELBO) of the log-likelihood and the contrastive learning objective that contrasts pairs of input documents. However, document-level contrastive learning might capture low-level mutual information, such as word ratio, which disturbs topic modeling. Moreover, there is a potential conflict between the ELBO loss that memorizes input details for better reconstruction quality, and the contrastive loss which attempts to learn topic representations that generalize among input documents. To address these issues, we first introduce a novel contrastive learning method oriented towards sets of topic vectors to capture useful semantics that are shared among a set of input documents. Secondly, we explicitly cast contrastive topic modeling as a gradient-based multi-objective optimization problem, with the goal of achieving a Pareto stationary solution that balances the trade-off between the ELBO and the contrastive objective. Extensive experiments demonstrate that our framework consistently produces higher-performing neural topic models in terms of topic coherence, topic diversity, and downstream performance.

Contrastive-learning-based methods have dominated sentence representation learning. These methods regularize the representation space by pulling similar sentence representations closer and pushing away the dissimilar ones and have been proven effective in various NLP tasks, e.g., semantic textual similarity (STS) tasks. However, it is challenging for these methods to learn fine-grained semantics as they only learn from the inter-sentence perspective, i.e., their supervision signal comes from the relationship between data samples. In this work, we propose a novel denoising objective that inherits from another perspective, i.e., the intra-sentence perspective. By introducing both discrete and continuous noise, we generate noisy sentences and then train our model to restore them to their original form. Our empirical evaluations demonstrate that this approach delivers competitive results on both semantic textual similarity (STS) and a wide range of transfer tasks, standing up well in comparison to contrastive-learning-based methods. Notably, the proposed intra-sentence denoising objective complements existing inter-sentence contrastive methodologies and can be integrated with them to further enhance performance. Our code is available at https://github.com/xinghaow99/DenoSent.

Reinforcement learning from human feedback (RLHF) has emerged as a powerful technique to make large language models (LLMs) more capable in complex settings. RLHF proceeds as collecting human preference data, training a reward model on said data, and optimizing a base ML model with respect to said reward for extrinsic evaluation metrics (e.g. MMLU, GSM8k). RLHF relies on many assumptions about how the various pieces fit together, such as a reward model capturing human preferences and an RL optimizer extracting the right signal from a reward model. As the RLHF process involves many distinct design decisions, it is easy to assume that multiple processes are correlated and therefore numerically linked. This apparent correlation is often not true, where reward models are easily overoptimized or RL optimizers can reduce performance on tasks not modeled in the data. Notable manifestations of models trained with imperfect RLHF systems are those that are prone to refusing basic requests for safety reasons or appearing lazy in generations. As chat model evaluation becomes increasingly nuanced, the reliance on a perceived link between reward model training, RL scores, and downstream performance drives these issues, which we describe as an objective mismatch. In this paper, we illustrate the causes of this issue, reviewing relevant literature from model-based reinforcement learning, and argue for solutions. By solving objective mismatch in RLHF, the ML models of the future will be more precisely aligned to user instructions for both safety and helpfulness.