Daily Papers

Neural architecture search (NAS) promises to make deep learning accessible to non-experts by automating architecture engineering of deep neural networks. BANANAS is one state-of-the-art NAS method that is embedded within the Bayesian optimization framework. Recent experimental findings have demonstrated the strong performance of BANANAS on the NAS-Bench-101 benchmark being determined by its path encoding and not its choice of surrogate model. We present experimental results suggesting that the performance of BANANAS on the NAS-Bench-301 benchmark is determined by its acquisition function optimizer, which minimally mutates the incumbent.

As large language models (LLMs) become more capable, fine-tuning techniques for aligning with human intent are increasingly important. A key consideration for aligning these models is how to most effectively use human resources, or model resources in the case where LLMs themselves are used as oracles. Reinforcement learning from Human or AI preferences (RLHF/RLAIF) is the most prominent example of such a technique, but is complex and often unstable. Direct Preference Optimization (DPO) has recently been proposed as a simpler and more stable alternative. In this work, we develop an active learning strategy for DPO to make better use of preference labels. We propose a practical acquisition function for prompt/completion pairs based on the predictive entropy of the language model and a measure of certainty of the implicit preference model optimized by DPO. We demonstrate how our approach improves both the rate of learning and final performance of fine-tuning on pairwise preference data.

Bayesian Optimization (BO) is typically used to optimize an unknown function f that is noisy and costly to evaluate, by exploiting an acquisition function that must be maximized at each optimization step. Even if provably asymptotically optimal BO algorithms are efficient at optimizing low-dimensional functions, scaling them to high-dimensional spaces remains an open problem, often tackled by assuming an additive structure for f. By doing so, BO algorithms typically introduce additional restrictive assumptions on the additive structure that reduce their applicability domain. This paper contains two main contributions: (i) we relax the restrictive assumptions on the additive structure of f without weakening the maximization guarantees of the acquisition function, and (ii) we address the over-exploration problem for decentralized BO algorithms. To these ends, we propose DuMBO, an asymptotically optimal decentralized BO algorithm that achieves very competitive performance against state-of-the-art BO algorithms, especially when the additive structure of f comprises high-dimensional factors.

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.

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 introduce Feasible Learning (FL), a sample-centric learning paradigm where models are trained by solving a feasibility problem that bounds the loss for each training sample. In contrast to the ubiquitous Empirical Risk Minimization (ERM) framework, which optimizes for average performance, FL demands satisfactory performance on every individual data point. Since any model that meets the prescribed performance threshold is a valid FL solution, the choice of optimization algorithm and its dynamics play a crucial role in shaping the properties of the resulting solutions. In particular, we study a primal-dual approach which dynamically re-weights the importance of each sample during training. To address the challenge of setting a meaningful threshold in practice, we introduce a relaxation of FL that incorporates slack variables of minimal norm. Our empirical analysis, spanning image classification, age regression, and preference optimization in large language models, demonstrates that models trained via FL can learn from data while displaying improved tail behavior compared to ERM, with only a marginal impact on average performance.

Aligning generative models with human preference via RLHF typically suffers from overoptimization, where an imperfectly learned reward model can misguide the generative model to output undesired responses. We investigate this problem in a principled manner by identifying the source of the misalignment as a form of distributional shift and uncertainty in learning human preferences. To mitigate overoptimization, we first propose a theoretical algorithm that chooses the best policy for an adversarially chosen reward model; one that simultaneously minimizes the maximum likelihood estimation of the loss and a reward penalty term. Here, the reward penalty term is introduced to prevent the policy from choosing actions with spurious high proxy rewards, resulting in provable sample efficiency of the algorithm under a partial coverage style condition. Moving from theory to practice, the proposed algorithm further enjoys an equivalent but surprisingly easy-to-implement reformulation. Using the equivalence between reward models and the corresponding optimal policy, the algorithm features a simple objective that combines: (i) a preference optimization loss that directly aligns the policy with human preference, and (ii) a supervised learning loss that explicitly imitates the policy with a (suitable) baseline distribution. In the context of aligning large language models (LLM), this objective fuses the direct preference optimization (DPO) loss with the supervised fune-tuning (SFT) loss to help mitigate the overoptimization towards undesired responses, for which we name the algorithm Regularized Preference Optimization (RPO). Experiments of aligning LLMs demonstrate the improved performance of RPO compared with DPO baselines. Our work sheds light on the interplay between preference optimization and SFT in tuning LLMs with both theoretical guarantees and empirical evidence.

Learning to Optimize (L2O), a technique that utilizes machine learning to learn an optimization algorithm automatically from data, has gained arising attention in recent years. A generic L2O approach parameterizes the iterative update rule and learns the update direction as a black-box network. While the generic approach is widely applicable, the learned model can overfit and may not generalize well to out-of-distribution test sets. In this paper, we derive the basic mathematical conditions that successful update rules commonly satisfy. Consequently, we propose a novel L2O model with a mathematics-inspired structure that is broadly applicable and generalized well to out-of-distribution problems. Numerical simulations validate our theoretical findings and demonstrate the superior empirical performance of the proposed L2O model.

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 examine a simple stochastic strategy for adapting well-known single-point acquisition functions to allow batch active learning. Unlike acquiring the top-K points from the pool set, score- or rank-based sampling takes into account that acquisition scores change as new data are acquired. This simple strategy for adapting standard single-sample acquisition strategies can even perform just as well as compute-intensive state-of-the-art batch acquisition functions, like BatchBALD or BADGE, while using orders of magnitude less compute. In addition to providing a practical option for machine learning practitioners, the surprising success of the proposed method in a wide range of experimental settings raises a difficult question for the field: when are these expensive batch acquisition methods pulling their weight?

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.

While Reinforcement Learning from Human Feedback (RLHF) has become the predominant method for controlling language model outputs, it suffers from high computational costs and training instability. Guided decoding, especially value-guided methods, offers a cost-effective alternative by controlling outputs without re-training models. However, the accuracy of the value function is crucial for value-guided decoding, as inaccuracies can lead to suboptimal decision-making and degraded performance. Existing methods struggle with accurately estimating the optimal value function, leading to less effective control. We propose Iterative Value Function Optimization, a novel framework that addresses these limitations through two key components: Monte Carlo Value Estimation, which reduces estimation variance by exploring diverse trajectories, and Iterative On-Policy Optimization, which progressively improves value estimation through collecting trajectories from value-guided policies. Extensive experiments on text summarization, multi-turn dialogue, and instruction following demonstrate the effectiveness of value-guided decoding approaches in aligning language models. These approaches not only achieve alignment but also significantly reduce computational costs by leveraging principled value function optimization for efficient and effective control.

Bayesian optimization (BO) is a powerful framework to optimize black-box expensive-to-evaluate functions via sequential interactions. In several important problems (e.g. drug discovery, circuit design, neural architecture search, etc.), though, such functions are defined over large combinatorial and unstructured spaces. This makes existing BO algorithms not feasible due to the intractable maximization of the acquisition function over these domains. To address this issue, we propose GameOpt, a novel game-theoretical approach to combinatorial BO. GameOpt establishes a cooperative game between the different optimization variables, and selects points that are game equilibria of an upper confidence bound acquisition function. These are stable configurations from which no variable has an incentive to deviate- analog to local optima in continuous domains. Crucially, this allows us to efficiently break down the complexity of the combinatorial domain into individual decision sets, making GameOpt scalable to large combinatorial spaces. We demonstrate the application of GameOpt to the challenging protein design problem and validate its performance on four real-world protein datasets. Each protein can take up to 20^{X} possible configurations, where X is the length of a protein, making standard BO methods infeasible. Instead, our approach iteratively selects informative protein configurations and very quickly discovers highly active protein variants compared to other baselines.

The learning rate (LR) schedule is one of the most important hyper-parameters needing careful tuning in training DNNs. However, it is also one of the least automated parts of machine learning systems and usually costs significant manual effort and computing. Though there are pre-defined LR schedules and optimizers with adaptive LR, they introduce new hyperparameters that need to be tuned separately for different tasks/datasets. In this paper, we consider the question: Can we automatically tune the LR over the course of training without human involvement? We propose an efficient method, AutoLRS, which automatically optimizes the LR for each training stage by modeling training dynamics. AutoLRS aims to find an LR applied to every tau steps that minimizes the resulted validation loss. We solve this black-box optimization on the fly by Bayesian optimization (BO). However, collecting training instances for BO requires a system to evaluate each LR queried by BO's acquisition function for tau steps, which is prohibitively expensive in practice. Instead, we apply each candidate LR for only tau'lltau steps and train an exponential model to predict the validation loss after tau steps. This mutual-training process between BO and the loss-prediction model allows us to limit the training steps invested in the BO search. We demonstrate the advantages and the generality of AutoLRS through extensive experiments of training DNNs for tasks from diverse domains using different optimizers. The LR schedules auto-generated by AutoLRS lead to a speedup of 1.22times, 1.43times, and 1.5times when training ResNet-50, Transformer, and BERT, respectively, compared to the LR schedules in their original papers, and an average speedup of 1.31times over state-of-the-art heavily-tuned LR schedules.

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.

Text-to-image generative models have recently attracted considerable interest, enabling the synthesis of high-quality images from textual prompts. However, these models often lack the capability to generate specific subjects from given reference images or to synthesize novel renditions under varying conditions. Methods like DreamBooth and Subject-driven Text-to-Image (SuTI) have made significant progress in this area. Yet, both approaches primarily focus on enhancing similarity to reference images and require expensive setups, often overlooking the need for efficient training and avoiding overfitting to the reference images. In this work, we present the lambda-Harmonic reward function, which provides a reliable reward signal and enables early stopping for faster training and effective regularization. By combining the Bradley-Terry preference model, the lambda-Harmonic reward function also provides preference labels for subject-driven generation tasks. We propose Reward Preference Optimization (RPO), which offers a simpler setup (requiring only 3% of the negative samples used by DreamBooth) and fewer gradient steps for fine-tuning. Unlike most existing methods, our approach does not require training a text encoder or optimizing text embeddings and achieves text-image alignment by fine-tuning only the U-Net component. Empirically, lambda-Harmonic proves to be a reliable approach for model selection in subject-driven generation tasks. Based on preference labels and early stopping validation from the lambda-Harmonic reward function, our algorithm achieves a state-of-the-art CLIP-I score of 0.833 and a CLIP-T score of 0.314 on DreamBench.

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.

Meta-Bayesian optimisation (meta-BO) aims to improve the sample efficiency of Bayesian optimisation by leveraging data from related tasks. While previous methods successfully meta-learn either a surrogate model or an acquisition function independently, joint training of both components remains an open challenge. This paper proposes the first end-to-end differentiable meta-BO framework that generalises neural processes to learn acquisition functions via transformer architectures. We enable this end-to-end framework with reinforcement learning (RL) to tackle the lack of labelled acquisition data. Early on, we notice that training transformer-based neural processes from scratch with RL is challenging due to insufficient supervision, especially when rewards are sparse. We formalise this claim with a combinatorial analysis showing that the widely used notion of regret as a reward signal exhibits a logarithmic sparsity pattern in trajectory lengths. To tackle this problem, we augment the RL objective with an auxiliary task that guides part of the architecture to learn a valid probabilistic model as an inductive bias. We demonstrate that our method achieves state-of-the-art regret results against various baselines in experiments on standard hyperparameter optimisation tasks and also outperforms others in the real-world problems of mixed-integer programming tuning, antibody design, and logic synthesis for electronic design automation.

The Combined Algorithm Selection and Hyperparameters optimization (CASH) problem is one of the fundamental problems in Automated Machine Learning (AutoML). Motivated by the success of ensemble learning, recent AutoML systems build post-hoc ensembles to output the final predictions instead of using the best single learner. However, while most CASH methods focus on searching for a single learner with the best performance, they neglect the diversity among base learners (i.e., they may suggest similar configurations to previously evaluated ones), which is also a crucial consideration when building an ensemble. To tackle this issue and further enhance the ensemble performance, we propose DivBO, a diversity-aware framework to inject explicit search of diversity into the CASH problems. In the framework, we propose to use a diversity surrogate to predict the pair-wise diversity of two unseen configurations. Furthermore, we introduce a temporary pool and a weighted acquisition function to guide the search of both performance and diversity based on Bayesian optimization. Empirical results on 15 public datasets show that DivBO achieves the best average ranks (1.82 and 1.73) on both validation and test errors among 10 compared methods, including post-hoc designs in recent AutoML systems and state-of-the-art baselines for ensemble learning on CASH problems.

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.

Motivated by the large progress made by large language models (LLMs), we introduce the framework of verbalized machine learning (VML). In contrast to conventional machine learning models that are typically optimized over a continuous parameter space, VML constrains the parameter space to be human-interpretable natural language. Such a constraint leads to a new perspective of function approximation, where an LLM with a text prompt can be viewed as a function parameterized by the text prompt. Guided by this perspective, we revisit classical machine learning problems, such as regression and classification, and find that these problems can be solved by an LLM-parameterized learner and optimizer. The major advantages of VML include (1) easy encoding of inductive bias: prior knowledge about the problem and hypothesis class can be encoded in natural language and fed into the LLM-parameterized learner; (2) automatic model class selection: the optimizer can automatically select a concrete model class based on data and verbalized prior knowledge, and it can update the model class during training; and (3) interpretable learner updates: the LLM-parameterized optimizer can provide explanations for why each learner update is performed. We conduct several studies to empirically evaluate the effectiveness of VML, and hope that VML can serve as a stepping stone to stronger interpretability and trustworthiness in ML.

This work studies the general principles of improving the learning of language models (LMs), which aims at reducing the necessary training steps for achieving superior performance. Specifically, we present a theory for the optimal learning of LMs. We first propose an objective that optimizes LM learning by maximizing the data compression ratio in an "LM-training-as-lossless-compression" view. Then, we derive a theorem, named Learning Law, to reveal the properties of the dynamics in the optimal learning process under our objective. The theorem is then validated by experiments on a linear classification and a real-world language modeling task. Finally, we empirically verify that the optimal learning of LMs essentially stems from the improvement of the coefficients in the scaling law of LMs, indicating great promise and significance for designing practical learning acceleration methods. Our code can be found at https://aka.ms/LearningLaw.

We introduce iterative retrieval, a novel framework that empowers retrievers to make iterative decisions through policy optimization. Finding an optimal portfolio of retrieved items is a combinatorial optimization problem, generally considered NP-hard. This approach provides a learned approximation to such a solution, meeting specific task requirements under a given family of large language models (LLMs). We propose a training procedure based on reinforcement learning, incorporating feedback from LLMs. We instantiate an iterative retriever for composing in-context learning (ICL) exemplars and apply it to various semantic parsing tasks that demand synthesized programs as outputs. By adding only 4M additional parameters for state encoding, we convert an off-the-shelf dense retriever into a stateful iterative retriever, outperforming previous methods in selecting ICL exemplars on semantic parsing datasets such as CalFlow, TreeDST, and MTOP. Additionally, the trained iterative retriever generalizes across different inference LLMs beyond the one used during training.

We consider the distributionally robust optimization (DRO) problem with spectral risk-based uncertainty set and f-divergence penalty. This formulation includes common risk-sensitive learning objectives such as regularized condition value-at-risk (CVaR) and average top-k loss. We present Prospect, a stochastic gradient-based algorithm that only requires tuning a single learning rate hyperparameter, and prove that it enjoys linear convergence for smooth regularized losses. This contrasts with previous algorithms that either require tuning multiple hyperparameters or potentially fail to converge due to biased gradient estimates or inadequate regularization. Empirically, we show that Prospect can converge 2-3times faster than baselines such as stochastic gradient and stochastic saddle-point methods on distribution shift and fairness benchmarks spanning tabular, vision, and language domains.

Existing preference optimization methods are mainly designed for directly learning from human feedback with the assumption that paired examples (preferred vs. dis-preferred) are available. In contrast, we propose a method that can leverage unpaired preferred or dis-preferred examples, and works even when only one type of feedback (positive or negative) is available. This flexibility allows us to apply it in scenarios with varying forms of feedback and models, including training generative language models based on human feedback as well as training policies for sequential decision-making problems, where learned (value) functions are available. Our approach builds upon the probabilistic framework introduced in (Dayan and Hinton, 1997), which proposes to use expectation-maximization (EM) to directly optimize the probability of preferred outcomes (as opposed to classic expected reward maximization). To obtain a practical algorithm, we identify and address a key limitation in current EM-based methods: when applied to preference optimization, they solely maximize the likelihood of preferred examples, while neglecting dis-preferred samples. We show how one can extend EM algorithms to explicitly incorporate dis-preferred outcomes, leading to a novel, theoretically grounded, preference optimization algorithm that offers an intuitive and versatile way to learn from both positive and negative feedback.

We study the problem of classification with a reject option for a fixed predictor, applicable in natural language processing. We introduce a new problem formulation for this scenario, and an algorithm minimizing a new surrogate loss function. We provide a complete theoretical analysis of the surrogate loss function with a strong H-consistency guarantee. For evaluation, we choose the decontextualization task, and provide a manually-labelled dataset of 2mathord,000 examples. Our algorithm significantly outperforms the baselines considered, with a sim!!25% improvement in coverage when halving the error rate, which is only sim!! 3 % away from the theoretical limit.

Active Learning (AL) has gained prominence in integrating data-intensive machine learning (ML) models into domains with limited labeled data. However, its effectiveness diminishes significantly when the labeling budget is low. In this paper, we first empirically observe the performance degradation of existing AL algorithms in the low-budget settings, and then introduce Direct Acquisition Optimization (DAO), a novel AL algorithm that optimizes sample selections based on expected true loss reduction. Specifically, DAO utilizes influence functions to update model parameters and incorporates an additional acquisition strategy to mitigate bias in loss estimation. This approach facilitates a more accurate estimation of the overall error reduction, without extensive computations or reliance on labeled data. Experiments demonstrate DAO's effectiveness in low budget settings, outperforming state-of-the-arts approaches across seven benchmarks.

Despite the rapid development of large language models (LLMs), a fundamental challenge persists: the lack of high-quality optimization modeling datasets hampers LLMs' robust modeling of practical optimization problems from natural language descriptions (NL). This data scarcity also contributes to the generalization difficulties experienced by learning-based methods. To address these challenges, we propose a scalable framework for synthesizing a high-quality dataset, named OptMATH. Starting from curated seed data with mathematical formulations (MF), this framework automatically generates problem data (PD) with controllable complexity. Then, a back-translation step is employed to obtain NL. To verify the correspondence between the NL and the PD, a forward modeling step followed by rejection sampling is used. The accepted pairs constitute the training part of OptMATH. Then a collection of rejected pairs is identified and further filtered. This collection serves as a new benchmark for optimization modeling, containing difficult instances whose lengths are much longer than these of NL4OPT and MAMO. Through extensive experiments, we demonstrate that models of various sizes (0.5B-32B parameters) trained on OptMATH achieve superior results on multiple modeling benchmarks, thereby validating the effectiveness and scalability of our approach. Our dataset is publicly available at https://github.com/AuroraLHL/OptMATH.

Learned optimizers (LOs) can significantly reduce the wall-clock training time of neural networks, substantially reducing training costs. However, they often suffer from poor meta-generalization, especially when training networks larger than those seen during meta-training. To address this, we use the recently proposed Maximal Update Parametrization (muP), which allows zero-shot generalization of optimizer hyperparameters from smaller to larger models. We extend muP theory to learned optimizers, treating the meta-training problem as finding the learned optimizer under muP. Our evaluation shows that LOs meta-trained with muP substantially improve meta-generalization as compared to LOs trained under standard parametrization (SP). Notably, when applied to large-width models, our best muLO, trained for 103 GPU-hours, matches or exceeds the performance of VeLO, the largest publicly available learned optimizer, meta-trained with 4000 TPU-months of compute. Moreover, muLOs demonstrate better generalization than their SP counterparts to deeper networks and to much longer training horizons (25 times longer) than those seen during meta-training.

Large Language Models (LLMs) exhibit strong general language capabilities. However, fine-tuning these models on domain-specific tasks often leads to catastrophic forgetting, where the model overwrites or loses essential knowledge acquired during pretraining. This phenomenon significantly limits the broader applicability of LLMs. To address this challenge, we propose a novel approach to compute the element-wise importance of model parameters crucial for preserving general knowledge during fine-tuning. Our method utilizes a dual-objective optimization strategy: (1) regularization loss based on element-wise parameter importance, which constrains the updates to parameters crucial for general knowledge; (2) cross-entropy loss to adapt to domain-specific tasks. Additionally, we introduce layer-wise coefficients to account for the varying contributions of different layers, dynamically balancing the dual-objective optimization. Extensive experiments on scientific, medical, and physical tasks using GPT-J and LLaMA-3 demonstrate that our approach mitigates catastrophic forgetting while enhancing model adaptability. Compared to previous methods, our solution is approximately 20 times faster and requires only 10-15% of the storage, highlighting the practical efficiency. The code will be released.

Large language models are typically aligned with human preferences by optimizing reward models (RMs) fitted to human feedback. However, human preferences are multi-faceted, and it is increasingly common to derive reward from a composition of simpler reward models which each capture a different aspect of language quality. This itself presents a challenge, as it is difficult to appropriately weight these component RMs when combining them. Compounding this difficulty, because any RM is only a proxy for human evaluation, this process is vulnerable to overoptimization, wherein past a certain point, accumulating higher reward is associated with worse human ratings. In this paper, we perform, to our knowledge, the first study on overoptimization in composite RMs, showing that correlation between component RMs has a significant effect on the locations of these points. We then introduce an approach to solve this issue using constrained reinforcement learning as a means of preventing the agent from exceeding each RM's threshold of usefulness. Our method addresses the problem of weighting component RMs by learning dynamic weights, naturally expressed by Lagrange multipliers. As a result, each RM stays within the range at which it is an effective proxy, improving evaluation performance. Finally, we introduce an adaptive method using gradient-free optimization to identify and optimize towards these points during a single run.

During language model decoding, it is known that using higher temperature sampling gives more creative responses, while lower temperatures are more factually accurate. However, such models are commonly applied to general instruction following, which involves both creative and fact seeking tasks, using a single fixed temperature across all examples and tokens. In this work, we introduce Adaptive Decoding, a layer added to the model to select the sampling temperature dynamically at inference time, at either the token or example level, in order to optimize performance. To learn its parameters we introduce Latent Preference Optimization (LPO) a general approach to train discrete latent variables such as choices of temperature. Our method outperforms all fixed decoding temperatures across a range of tasks that require different temperatures, including UltraFeedback, Creative Story Writing, and GSM8K.

Learning from human preference has been considered key to aligning Large Language Models (LLMs) with human values. However, contrary to popular belief, our preliminary study reveals that reward models trained on human preference datasets tend to give higher scores to long off-topic responses than short on-topic ones. Motivated by this observation, we explore a preference-free approach utilizing `relevance' as a key objective for alignment. On our first attempt, we find that the relevance score obtained by a retriever alone is vulnerable to reward hacking, i.e., overoptimizing to undesired shortcuts, when we utilize the score as a reward for reinforcement learning. To mitigate it, we integrate effective inductive biases into the vanilla relevance to regularize each other, resulting in a mixture of reward functions: Regularized Relevance Reward (R^3). R^3 significantly improves performance on preference benchmarks by providing a robust reward signal. Notably, R^3 does not require any human preference datasets (i.e., preference-free), outperforming open-source reward models in improving human preference. Our analysis demonstrates that R^3 has advantages in elevating human preference while minimizing its side effects. Finally, we show the generalizability of R^3, consistently improving instruction-tuned models in various backbones and sizes without additional dataset cost. Our code is available at https://github.com/naver-ai/RRR.

In the classical Reinforcement Learning from Human Feedback (RLHF) framework, Proximal Policy Optimization (PPO) is employed to learn from sparse, sentence-level rewards -- a challenging scenario in traditional deep reinforcement learning. Despite the great successes of PPO in the alignment of state-of-the-art closed-source large language models (LLMs), its open-source implementation is still largely sub-optimal, as widely reported by numerous research studies. To address these issues, we introduce a framework that models RLHF problems as a Markov decision process (MDP), enabling the capture of fine-grained token-wise information. Furthermore, we provide theoretical insights that demonstrate the superiority of our MDP framework over the previous sentence-level bandit formulation. Under this framework, we introduce an algorithm, dubbed as Reinforced Token Optimization (RTO), which learns the token-wise reward function from preference data and performs policy optimization based on this learned token-wise reward signal. Theoretically, RTO is proven to have the capability of finding the near-optimal policy sample-efficiently. For its practical implementation, RTO innovatively integrates Direct Preference Optimization (DPO) and PPO. DPO, originally derived from sparse sentence rewards, surprisingly provides us with a token-wise characterization of response quality, which is seamlessly incorporated into our subsequent PPO training stage. Extensive real-world alignment experiments verify the effectiveness of the proposed approach.

Aligning large language models (LLMs) to human preferences is challenging in domains where preference data is unavailable. We address the problem of learning reward models for such target domains by leveraging feedback collected from simpler source domains, where human preferences are easier to obtain. Our key insight is that, while domains may differ significantly, human preferences convey domain-agnostic concepts that can be effectively captured by a reward model. We propose \method, a framework that trains domain-invariant reward models by optimizing a dual loss: a domain loss that minimizes the divergence between source and target distribution, and a source loss that optimizes preferences on the source domain. We show \method is a general approach that we evaluate and analyze across 4 distinct settings: (1) Cross-lingual transfer (accuracy: 0.621 rightarrow 0.661), (2) Clean-to-noisy (accuracy: 0.671 rightarrow 0.703), (3) Few-shot-to-full transfer (accuracy: 0.845 rightarrow 0.920), and (4) Simple-to-complex tasks transfer (correlation: 0.508 rightarrow 0.556). Our code, models and data are available at https://github.com/portal-cornell/dial.

Large language models (LLMs) demonstrate impressive performance but lack the flexibility to adapt to human preferences quickly without retraining. In this work, we introduce Test-time Preference Optimization (TPO), a framework that aligns LLM outputs with human preferences during inference, removing the need to update model parameters. Rather than relying on purely numerical rewards, TPO translates reward signals into textual critiques and uses them as textual rewards to iteratively refine its response. Evaluations on benchmarks covering instruction following, preference alignment, safety, and mathematics reveal that TPO progressively improves alignment with human preferences. Notably, after only a few TPO steps, the initially unaligned Llama-3.1-70B-SFT model can surpass the aligned counterpart, Llama-3.1-70B-Instruct. Furthermore, TPO scales efficiently with both the search width and depth during inference. Through case studies, we illustrate how TPO exploits the innate capacity of LLM to interpret and act upon reward signals. Our findings establish TPO as a practical, lightweight alternative for test-time preference optimization, achieving alignment on the fly. Our code is publicly available at https://github.com/yafuly/TPO.

The optimization of expensive-to-evaluate black-box functions is prevalent in various scientific disciplines. Bayesian optimization is an automatic, general and sample-efficient method to solve these problems with minimal knowledge of the underlying function dynamics. However, the ability of Bayesian optimization to incorporate prior knowledge or beliefs about the function at hand in order to accelerate the optimization is limited, which reduces its appeal for knowledgeable practitioners with tight budgets. To allow domain experts to customize the optimization routine, we propose ColaBO, the first Bayesian-principled framework for incorporating prior beliefs beyond the typical kernel structure, such as the likely location of the optimizer or the optimal value. The generality of ColaBO makes it applicable across different Monte Carlo acquisition functions and types of user beliefs. We empirically demonstrate ColaBO's ability to substantially accelerate optimization when the prior information is accurate, and to retain approximately default performance when it is misleading.

We show that learning-rate schedules for large model training behave surprisingly similar to a performance bound from non-smooth convex optimization theory. We provide a bound for the constant schedule with linear cooldown; in particular, the practical benefit of cooldown is reflected in the bound due to the absence of logarithmic terms. Further, we show that this surprisingly close match between optimization theory and practice can be exploited for learning-rate tuning: we achieve noticeable improvements for training 124M and 210M Llama-type models by (i) extending the schedule for continued training with optimal learning-rate, and (ii) transferring the optimal learning-rate across schedules.

PRefLexOR (Preference-based Recursive Language Modeling for Exploratory Optimization of Reasoning) combines preference optimization with concepts from Reinforcement Learning to enable models to self-teach through iterative reasoning improvements. We propose a recursive learning approach that engages the model in multi-step reasoning, revisiting, and refining intermediate steps before producing a final output in training and inference phases. Through multiple training stages, the model first learns to align its reasoning with accurate decision paths by optimizing the log odds between preferred and non-preferred responses. During this process, PRefLexOR builds a dynamic knowledge graph by generating questions from random text chunks and retrieval-augmentation to contextualize relevant details from the entire training corpus. In the second stage, preference optimization enhances model performance by using rejection sampling to fine-tune reasoning quality by continually producing in-situ training data while masking the reasoning steps. Recursive optimization within a thinking token framework introduces iterative feedback loops, where the model refines reasoning, achieving deeper coherence, consistency, and adaptability. Implemented in small language models with only 3 billion parameters, we should that even tiny models can iteratively teach themselves to reason with greater depth and reflectivity. Our implementation is straightforward and can be incorporated into any existing pretrained LLM. We focus our examples on applications in biological materials science and demonstrate the method in a variety of case studies that range from in-domain to cross-domain applications. Using reasoning strategies that include thinking and reflection modalities we build a multi-agent recursive self-improving inference approach to successively improve responses via repeated sampling in inference time.

This paper studies post-training large language models (LLMs) using preference feedback from a powerful oracle to help a model iteratively improve over itself. The typical approach for post-training LLMs involves Reinforcement Learning from Human Feedback (RLHF), which traditionally separates reward learning and subsequent policy optimization. However, such a reward maximization approach is limited by the nature of "point-wise" rewards (such as Bradley-Terry model), which fails to express complex intransitive or cyclic preference relations. While advances on RLHF show reward learning and policy optimization can be merged into a single contrastive objective for stability, they yet still remain tethered to the reward maximization framework. Recently, a new wave of research sidesteps the reward maximization presumptions in favor of directly optimizing over "pair-wise" or general preferences. In this paper, we introduce Direct Nash Optimization (DNO), a provable and scalable algorithm that marries the simplicity and stability of contrastive learning with theoretical generality from optimizing general preferences. Because DNO is a batched on-policy algorithm using a regression-based objective, its implementation is straightforward and efficient. Moreover, DNO enjoys monotonic improvement across iterations that help it improve even over a strong teacher (such as GPT-4). In our experiments, a resulting 7B parameter Orca-2.5 model aligned by DNO achieves the state-of-the-art win-rate against GPT-4-Turbo of 33% on AlpacaEval 2.0 (even after controlling for response length), an absolute gain of 26% (7% to 33%) over the initializing model. It outperforms models with far more parameters, including Mistral Large, Self-Rewarding LM (70B parameters), and older versions of GPT-4.

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.

We introduce a gradient-based approach for the problem of Bayesian optimal experimental design to learn causal models in a batch setting -- a critical component for causal discovery from finite data where interventions can be costly or risky. Existing methods rely on greedy approximations to construct a batch of experiments while using black-box methods to optimize over a single target-state pair to intervene with. In this work, we completely dispose of the black-box optimization techniques and greedy heuristics and instead propose a conceptually simple end-to-end gradient-based optimization procedure to acquire a set of optimal intervention target-state pairs. Such a procedure enables parameterization of the design space to efficiently optimize over a batch of multi-target-state interventions, a setting which has hitherto not been explored due to its complexity. We demonstrate that our proposed method outperforms baselines and existing acquisition strategies in both single-target and multi-target settings across a number of synthetic datasets.

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

Reinforcement Learning with Human Feedback (RLHF) has achieved great success in aligning large language models (LLMs) with human preferences. Prevalent RLHF approaches are reward-based, following the Bradley-Terry (BT) model assumption, which may not fully capture the complexity of human preferences. In this paper, we explore RLHF under a general preference framework and approach it from a game-theoretic perspective. Specifically, we formulate the problem as a two-player game and propose a novel algorithm, iterative Nash policy optimization (INPO). The key idea is to let the policy play against itself via no-regret learning, thereby approximating the Nash policy. Unlike previous methods, INPO bypasses the need for estimating the expected win rate for individual responses, which typically incurs high computational or annotation costs. Instead, we introduce a new loss objective that is directly minimized over a preference dataset. We provide theoretical analysis for our approach and demonstrate its effectiveness through experiments on various representative benchmarks. With an LLaMA-3-8B-based SFT model, INPO achieves a 41.5% length-controlled win rate on AlpacaEval 2.0 and a 38.3% win rate on Arena-Hard, showing substantial improvement over the state-of-the-art iterative algorithm [Dong et al., 2024] under the BT model assumption. Additionally, our ablation study highlights the benefits of incorporating KL regularization for response length control.

Learning from preference labels plays a crucial role in fine-tuning large language models. There are several distinct approaches for preference fine-tuning, including supervised learning, on-policy reinforcement learning (RL), and contrastive learning. Different methods come with different implementation tradeoffs and performance differences, and existing empirical findings present different conclusions, for instance, some results show that online RL is quite important to attain good fine-tuning results, while others find (offline) contrastive or even purely supervised methods sufficient. This raises a natural question: what kind of approaches are important for fine-tuning with preference data and why? In this paper, we answer this question by performing a rigorous analysis of a number of fine-tuning techniques on didactic and full-scale LLM problems. Our main finding is that, in general, approaches that use on-policy sampling or attempt to push down the likelihood on certain responses (i.e., employ a "negative gradient") outperform offline and maximum likelihood objectives. We conceptualize our insights and unify methods that use on-policy sampling or negative gradient under a notion of mode-seeking objectives for categorical distributions. Mode-seeking objectives are able to alter probability mass on specific bins of a categorical distribution at a fast rate compared to maximum likelihood, allowing them to relocate masses across bins more effectively. Our analysis prescribes actionable insights for preference fine-tuning of LLMs and informs how data should be collected for maximal improvement.

Aligning Large Language Models (LLMs) to cater to different human preferences, learning new skills, and unlearning harmful behavior is an important problem. Search-based methods, such as Best-of-N or Monte-Carlo Tree Search, are performant, but impractical for LLM adaptation due to their high inference cost. On the other hand, using Reinforcement Learning (RL) for adaptation is computationally efficient, but performs worse due to the optimization challenges in co-training the value function and the policy. We present a new framework for reward optimization, Value Augmented Sampling (VAS), that can maximize different reward functions using data sampled from only the initial, frozen LLM. VAS solves for the optimal reward-maximizing policy without co-training the policy and the value function, making the optimization stable, outperforming established baselines, such as PPO and DPO, on standard benchmarks, and achieving comparable results to Best-of-128 with lower inference cost. Unlike existing RL methods that require changing the weights of the LLM, VAS does not require access to the weights of the pre-trained LLM. Thus, it can even adapt LLMs (e.g., ChatGPT), which are available only as APIs. In addition, our algorithm unlocks the new capability of composing several rewards and controlling the extent of each one during deployment time, paving the road ahead for the future of aligned, personalized LLMs.

Aligning foundation models is essential for their safe and trustworthy deployment. However, traditional fine-tuning methods are computationally intensive and require updating billions of model parameters. A promising alternative, alignment via decoding, adjusts the response distribution directly without model updates to maximize a target reward r, thus providing a lightweight and adaptable framework for alignment. However, principled decoding methods rely on oracle access to an optimal Q-function (Q^*), which is often unavailable in practice. Hence, prior SoTA methods either approximate this Q^* using Q^{pi_{sft}} (derived from the reference SFT model) or rely on short-term rewards, resulting in sub-optimal decoding performance. In this work, we propose Transfer Q^*, which implicitly estimates the optimal value function for a target reward r through a baseline model rho_{BL} aligned with a baseline reward rho_{BL} (which can be different from the target reward r). Theoretical analyses of Transfer Q^* provide a rigorous characterization of its optimality, deriving an upper bound on the sub-optimality gap and identifying a hyperparameter to control the deviation from the pre-trained reference SFT model based on user needs. Our approach significantly reduces the sub-optimality gap observed in prior SoTA methods and demonstrates superior empirical performance across key metrics such as coherence, diversity, and quality in extensive tests on several synthetic and real datasets.

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.

Pretrained language models are commonly aligned with human preferences and downstream tasks via reinforcement finetuning (RFT), which entails maximizing a (possibly learned) reward function using policy gradient algorithms. This work highlights a fundamental optimization obstacle in RFT: we prove that the expected gradient for an input vanishes when its reward standard deviation under the model is small, even if the expected reward is far from optimal. Through experiments on an RFT benchmark and controlled environments, as well as a theoretical analysis, we then demonstrate that vanishing gradients due to small reward standard deviation are prevalent and detrimental, leading to extremely slow reward maximization. Lastly, we explore ways to overcome vanishing gradients in RFT. We find the common practice of an initial supervised finetuning (SFT) phase to be the most promising candidate, which sheds light on its importance in an RFT pipeline. Moreover, we show that a relatively small number of SFT optimization steps on as few as 1% of the input samples can suffice, indicating that the initial SFT phase need not be expensive in terms of compute and data labeling efforts. Overall, our results emphasize that being mindful for inputs whose expected gradient vanishes, as measured by the reward standard deviation, is crucial for successful execution of RFT.

In class incremental learning, neural networks typically suffer from catastrophic forgetting. We show that an MLP featuring a sparse activation function and an adaptive learning rate optimizer can compete with established regularization techniques in the Split-MNIST task. We highlight the effectiveness of the Adaptive SwisH (ASH) activation function in this context and introduce a novel variant, Hard Adaptive SwisH (Hard ASH) to further enhance the learning retention.

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.

Learning from human feedback (LHF) -- and in particular learning from pairwise preferences -- has recently become a crucial ingredient in training large language models (LLMs), and has been the subject of much research. Most recent works frame it as a reinforcement learning problem, where a reward function is learned from pairwise preference data and the LLM is treated as a policy which is adapted to maximize the rewards, often under additional regularization constraints. We propose an alternative interpretation which centers on the generative process for pairwise preferences and treats LHF as a density estimation problem. We provide theoretical and empirical results showing that for a family of generative processes defined via preference behavior distribution equations, training a reward function on pairwise preferences effectively models an annotator's implicit preference distribution. Finally, we discuss and present findings on "annotator misspecification" -- failure cases where wrong modeling assumptions are made about annotator behavior, resulting in poorly-adapted models -- suggesting that approaches that learn from pairwise human preferences could have trouble learning from a population of annotators with diverse viewpoints.

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

We introduce an approach aimed at enhancing the reasoning capabilities of Large Language Models (LLMs) through an iterative preference learning process inspired by the successful strategy employed by AlphaZero. Our work leverages Monte Carlo Tree Search (MCTS) to iteratively collect preference data, utilizing its look-ahead ability to break down instance-level rewards into more granular step-level signals. To enhance consistency in intermediate steps, we combine outcome validation and stepwise self-evaluation, continually updating the quality assessment of newly generated data. The proposed algorithm employs Direct Preference Optimization (DPO) to update the LLM policy using this newly generated step-level preference data. Theoretical analysis reveals the importance of using on-policy sampled data for successful self-improving. Extensive evaluations on various arithmetic and commonsense reasoning tasks demonstrate remarkable performance improvements over existing models. For instance, our approach outperforms the Mistral-7B Supervised Fine-Tuning (SFT) baseline on GSM8K, MATH, and ARC-C, with substantial increases in accuracy to 81.8% (+5.9%), 34.7% (+5.8%), and 76.4% (+15.8%), respectively. Additionally, our research delves into the training and inference compute tradeoff, providing insights into how our method effectively maximizes performance gains. Our code is publicly available at https://github.com/YuxiXie/MCTS-DPO.

Augmenting large language models (LLMs) with external tools is a promising approach to enhance their capabilities. Effectively leveraging this potential for complex tasks hinges crucially on improving their ability to use tools. Synthesizing tool use data by simulating the real world is an effective approach. Nevertheless, our investigation reveals that training gains significantly decay as the scale of these data increases. The primary factor is the model's poor performance (a.k.a deficiency) in complex scenarios, which hinders learning from data using SFT. Driven by this objective, we propose an iterative reinforced fine-tuning strategy to continually guide the model to alleviate it. Specifically, we first identify deficiency-related data based on feedback from the policy model, then perform a Monte Carlo Tree Search to collect fine-grained preference pairs to pinpoint deficiencies. Subsequently, we update the policy model using preference optimization to align with ground truth and misalign with deficiencies. This process can be iterated. Moreover, before the iteration, we propose an easy-to-hard warm-up SFT strategy to facilitate learning from challenging data. The experiments demonstrate our models go beyond the same parametric models, outperforming many larger open-source and closed-source models. Additionally, it has achieved notable training gains in complex tool use scenarios.

Text-to-Image (T2I) models have made significant advancements in recent years, but they still struggle to accurately capture intricate details specified in complex compositional prompts. While fine-tuning T2I models with reward objectives has shown promise, it suffers from "reward hacking" and may not generalize well to unseen prompt distributions. In this work, we propose Reward-based Noise Optimization (ReNO), a novel approach that enhances T2I models at inference by optimizing the initial noise based on the signal from one or multiple human preference reward models. Remarkably, solving this optimization problem with gradient ascent for 50 iterations yields impressive results on four different one-step models across two competitive benchmarks, T2I-CompBench and GenEval. Within a computational budget of 20-50 seconds, ReNO-enhanced one-step models consistently surpass the performance of all current open-source Text-to-Image models. Extensive user studies demonstrate that our model is preferred nearly twice as often compared to the popular SDXL model and is on par with the proprietary Stable Diffusion 3 with 8B parameters. Moreover, given the same computational resources, a ReNO-optimized one-step model outperforms widely-used open-source models such as SDXL and PixArt-alpha, highlighting the efficiency and effectiveness of ReNO in enhancing T2I model performance at inference time. Code is available at https://github.com/ExplainableML/ReNO.

Momentum based optimizers are central to a wide range of machine learning applications. These typically rely on an Exponential Moving Average (EMA) of gradients, which decays exponentially the present contribution of older gradients. This accounts for gradients being local linear approximations which lose their relevance as the iterate moves along the loss landscape. This work questions the use of a single EMA to accumulate past gradients and empirically demonstrates how this choice can be sub-optimal: a single EMA cannot simultaneously give a high weight to the immediate past, and a non-negligible weight to older gradients. Building on this observation, we propose AdEMAMix, a simple modification of the Adam optimizer with a mixture of two EMAs to better take advantage of past gradients. Our experiments on language modeling and image classification show -- quite surprisingly -- that gradients can stay relevant for tens of thousands of steps. They help to converge faster, and often to lower minima: e.g., a 1.3B parameter AdEMAMix LLM trained on 101B tokens performs comparably to an AdamW model trained on 197B tokens (+95%). Moreover, our method significantly slows-down model forgetting during training. Our work motivates further exploration of different types of functions to leverage past gradients, beyond EMAs.

It is often advantageous to train models on a subset of the available train examples, because the examples are of variable quality or because one would like to train with fewer examples, without sacrificing performance. We present Gradient Information Optimization (GIO), a scalable, task-agnostic approach to this data selection problem that requires only a small set of (unlabeled) examples representing a target distribution. GIO begins from a natural, information-theoretic objective that is intractable in practice. Our contribution is in showing that it can be made highly scalable through a simple relaxation of the objective and a highly efficient implementation. In experiments with machine translation, spelling correction, and image recognition, we show that GIO delivers outstanding results with very small train sets. These findings are robust to different representation models and hyperparameters for GIO itself. GIO is task- and domain-agnostic and can be applied out-of-the-box to new datasets and domains.

While Retrieval Augmented Generation (RAG) has emerged as a popular technique for improving Large Language Model (LLM) systems, it introduces a large number of choices, parameters and hyperparameters that must be made or tuned. This includes the LLM, embedding, and ranker models themselves, as well as hyperparameters governing individual RAG components. Yet, collectively optimizing the entire configuration in a RAG or LLM system remains under-explored - especially in multi-objective settings - due to intractably large solution spaces, noisy objective evaluations, and the high cost of evaluations. In this work, we introduce the first approach for multi-objective parameter optimization of cost, latency, safety and alignment over entire LLM and RAG systems. We find that Bayesian optimization methods significantly outperform baseline approaches, obtaining a superior Pareto front on two new RAG benchmark tasks. We conclude our work with important considerations for practitioners who are designing multi-objective RAG systems, highlighting nuances such as how optimal configurations may not generalize across tasks and objectives.

In this work, we address the problem of large language model (LLM) unlearning, aiming to remove unwanted data influences and associated model capabilities (e.g., copyrighted data or harmful content generation) while preserving essential model utilities, without the need for retraining from scratch. Despite the growing need for LLM unlearning, a principled optimization framework remains lacking. To this end, we revisit the state-of-the-art approach, negative preference optimization (NPO), and identify the issue of reference model bias, which could undermine NPO's effectiveness, particularly when unlearning forget data of varying difficulty. Given that, we propose a simple yet effective unlearning optimization framework, called SimNPO, showing that 'simplicity' in removing the reliance on a reference model (through the lens of simple preference optimization) benefits unlearning. We also provide deeper insights into SimNPO's advantages, supported by analysis using mixtures of Markov chains. Furthermore, we present extensive experiments validating SimNPO's superiority over existing unlearning baselines in benchmarks like TOFU and MUSE, and robustness against relearning attacks. Codes are available at https://github.com/OPTML-Group/Unlearn-Simple.

We characterize the statistical efficiency of knowledge transfer through n samples from a teacher to a probabilistic student classifier with input space mathcal S over labels mathcal A. We show that privileged information at three progressive levels accelerates the transfer. At the first level, only samples with hard labels are known, via which the maximum likelihood estimator attains the minimax rate {|{mathcal S||{mathcal A}|}/{n}}. The second level has the teacher probabilities of sampled labels available in addition, which turns out to boost the convergence rate lower bound to {{|{mathcal S}||{mathcal A}|}/{n}}. However, under this second data acquisition protocol, minimizing a naive adaptation of the cross-entropy loss results in an asymptotically biased student. We overcome this limitation and achieve the fundamental limit by using a novel empirical variant of the squared error logit loss. The third level further equips the student with the soft labels (complete logits) on {mathcal A} given every sampled input, thereby provably enables the student to enjoy a rate {|{mathcal S}|}/{n} free of |{mathcal A}|. We find any Kullback-Leibler divergence minimizer to be optimal in the last case. Numerical simulations distinguish the four learners and corroborate our theory.

We propose a game-based formulation for learning dimensionality-reducing representations of feature vectors, when only a prior knowledge on future prediction tasks is available. In this game, the first player chooses a representation, and then the second player adversarially chooses a prediction task from a given class, representing the prior knowledge. The first player aims is to minimize, and the second player to maximize, the regret: The minimal prediction loss using the representation, compared to the same loss using the original features. For the canonical setting in which the representation, the response to predict and the predictors are all linear functions, and under the mean squared error loss function, we derive the theoretically optimal representation in pure strategies, which shows the effectiveness of the prior knowledge, and the optimal regret in mixed strategies, which shows the usefulness of randomizing the representation. For general representations and loss functions, we propose an efficient algorithm to optimize a randomized representation. The algorithm only requires the gradients of the loss function, and is based on incrementally adding a representation rule to a mixture of such rules.

The majority of language model training builds on imitation learning. It covers pretraining, supervised fine-tuning, and affects the starting conditions for reinforcement learning from human feedback (RLHF). The simplicity and scalability of maximum likelihood estimation (MLE) for next token prediction led to its role as predominant paradigm. However, the broader field of imitation learning can more effectively utilize the sequential structure underlying autoregressive generation. We focus on investigating the inverse reinforcement learning (IRL) perspective to imitation, extracting rewards and directly optimizing sequences instead of individual token likelihoods and evaluate its benefits for fine-tuning large language models. We provide a new angle, reformulating inverse soft-Q-learning as a temporal difference regularized extension of MLE. This creates a principled connection between MLE and IRL and allows trading off added complexity with increased performance and diversity of generations in the supervised fine-tuning (SFT) setting. We find clear advantages for IRL-based imitation, in particular for retaining diversity while maximizing task performance, rendering IRL a strong alternative on fixed SFT datasets even without online data generation. Our analysis of IRL-extracted reward functions further indicates benefits for more robust reward functions via tighter integration of supervised and preference-based LLM post-training.

Reinforcement learning with human feedback~(RLHF) is critical for aligning Large Language Models (LLMs) with human preference. Compared to the widely studied offline version of RLHF, e.g. direct preference optimization (DPO), recent works have shown that the online variants achieve even better alignment. However, online alignment requires on-the-fly generation of new training data, which is costly, hard to parallelize, and suffers from varying quality and utility. In this paper, we propose a more efficient data exploration strategy for online preference tuning (OPTune), which does not rely on human-curated or pre-collected teacher responses but dynamically samples informative responses for on-policy preference alignment. During data generation, OPTune only selects prompts whose (re)generated responses can potentially provide more informative and higher-quality training signals than the existing responses. In the training objective, OPTune reweights each generated response (pair) by its utility in improving the alignment so that learning can be focused on the most helpful samples. Throughout our evaluations, OPTune'd LLMs maintain the instruction-following benefits provided by standard preference tuning whilst enjoying 1.27-1.56x faster training speed due to the efficient data exploration strategy.

Supervised fine-tuning (SFT) followed by preference optimization (PO) denoted by SFTrightarrowPO has become the standard for improving pretrained large language models (LLMs), with PO demonstrating significant performance gains. However, PO methods rely on either human-labeled preference data or a strong reward model to generate preference data. Can we fine-tune LLMs without preference data or reward models while achieving competitive performance to SFTrightarrowPO? We address this question by introducing Discriminative Fine-Tuning (DFT), a novel approach that eliminates the need for preference data. Unlike SFT, which employs a generative approach and overlooks negative data, DFT adopts a discriminative paradigm that that increases the probability of positive answers while suppressing potentially negative ones, shifting from token prediction to data prediction. Our contributions include: (i) a discriminative probabilistic framework for fine-tuning LLMs by explicitly modeling the discriminative likelihood of an answer among all possible outputs given an input; (ii) efficient algorithms to optimize this discriminative likelihood; and (iii) extensive experiments demonstrating DFT's effectiveness, achieving performance better than SFT and comparable to if not better than SFTrightarrowPO. The code can be found at https://github.com/PenGuln/DFT.

Direct Preference Optimization (DPO) is a method for enhancing model performance by directly optimizing for the preferences or rankings of outcomes, instead of traditional loss functions. This approach has proven effective in aligning Large Language Models (LLMs) with human preferences. Despite its widespread use across various tasks, DPO has been criticized for its sensitivity to the effectiveness of Supervised Fine-Tuning (SFT) and its limitations in enabling models to learn human-preferred responses, leading to less satisfactory performance. To address these limitations, we propose Aligned Supervised Fine-Tuning (ASFT), an effective approach that better aligns LLMs with pair-wise datasets by optimizing absolute likelihood for each response, rather than using the Bradley-Terry model, and eliminates the need for a reference model. Through theoretical gradient analysis, we demonstrate that ASFT mitigates the issue where the DPO loss function decreases the probability of generating human-dispreferred data at a faster rate than it increases the probability of producing preferred data. Additionally, we compare ASFT to DPO and its latest variants, such as the single-step approach ORPO, using the latest instruction-tuned model Llama3, which has been fine-tuned on UltraFeedback and HH-RLHF. We evaluated performance on instruction-following benchmarks like MT-Bench and traditional text generation metrics such as BLEU-4 and ROUGE-L. Extensive experiments demonstrate that ASFT is an effective alignment approach, consistently outperforming existing methods.

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.

Preference learning algorithms (e.g., RLHF and DPO) are frequently used to steer LLMs to produce generations that are more preferred by humans, but our understanding of their inner workings is still limited. In this work, we study the conventional wisdom that preference learning trains models to assign higher likelihoods to more preferred outputs than less preferred outputs, measured via ranking accuracy. Surprisingly, we find that most state-of-the-art preference-tuned models achieve a ranking accuracy of less than 60% on common preference datasets. We furthermore derive the idealized ranking accuracy that a preference-tuned LLM would achieve if it optimized the DPO or RLHF objective perfectly. We demonstrate that existing models exhibit a significant alignment gap -- i.e., a gap between the observed and idealized ranking accuracies. We attribute this discrepancy to the DPO objective, which is empirically and theoretically ill-suited to fix even mild ranking errors in the reference model, and derive a simple and efficient formula for quantifying the difficulty of learning a given preference datapoint. Finally, we demonstrate that ranking accuracy strongly correlates with the empirically popular win rate metric when the model is close to the reference model used in the objective, shedding further light on the differences between on-policy (e.g., RLHF) and off-policy (e.g., DPO) preference learning algorithms.

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 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.

There often is a dilemma between ease of optimization and robust out-of-distribution (OoD) generalization. For instance, many OoD methods rely on penalty terms whose optimization is challenging. They are either too strong to optimize reliably or too weak to achieve their goals. We propose to initialize the networks with a rich representation containing a palette of potentially useful features, ready to be used by even simple models. On the one hand, a rich representation provides a good initialization for the optimizer. On the other hand, it also provides an inductive bias that helps OoD generalization. Such a representation is constructed with the Rich Feature Construction (RFC) algorithm, also called the Bonsai algorithm, which consists of a succession of training episodes. During discovery episodes, we craft a multi-objective optimization criterion and its associated datasets in a manner that prevents the network from using the features constructed in the previous iterations. During synthesis episodes, we use knowledge distillation to force the network to simultaneously represent all the previously discovered features. Initializing the networks with Bonsai representations consistently helps six OoD methods achieve top performance on ColoredMNIST benchmark. The same technique substantially outperforms comparable results on the Wilds Camelyon17 task, eliminates the high result variance that plagues other methods, and makes hyperparameter tuning and model selection more reliable.

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.

Aligning large language models (LLMs) with human preference has recently gained tremendous attention, with the canonical yet costly RLHF-PPO and the simple and straightforward Direct Preference Optimization (DPO) as two examples. Despite the efficiency, DPO has rarely be used in the state-of-the-art production-level LLMs, implying its potential pathologies. In this work, we revisit DPO with a comprehensive examination of its empirical efficacy and a systematic comparison with RLHF-PPO. We identify the 3D-properties of DPO's learning outcomes: the Drastic drop in the likelihood of rejected responses, the Degradation into LLM unlearning, and the Dispersion effect on unseen responses through experiments with both a carefully designed toy model and practical LLMs on tasks including mathematical problem-solving and instruction following. These findings inherently connect to some observations made by related works and we additionally contribute a plausible theoretical explanation for them. Accordingly, we propose easy regularization methods to mitigate the issues caused by 3D-properties, improving the training stability and final performance of DPO. Our contributions also include an investigation into how the distribution of the paired preference data impacts the effectiveness of DPO. We hope this work could offer research directions to narrow the gap between reward-free preference learning methods and reward-based ones.

The activation function plays a crucial role in model optimisation, yet the optimal choice remains unclear. For example, the Sigmoid activation is the de-facto activation in balanced classification tasks, however, in imbalanced classification, it proves inappropriate due to bias towards frequent classes. In this work, we delve deeper in this phenomenon by performing a comprehensive statistical analysis in the classification and intermediate layers of both balanced and imbalanced networks and we empirically show that aligning the activation function with the data distribution, enhances the performance in both balanced and imbalanced tasks. To this end, we propose the Adaptive Parametric Activation (APA) function, a novel and versatile activation function that unifies most common activation functions under a single formula. APA can be applied in both intermediate layers and attention layers, significantly outperforming the state-of-the-art on several imbalanced benchmarks such as ImageNet-LT, iNaturalist2018, Places-LT, CIFAR100-LT and LVIS and balanced benchmarks such as ImageNet1K, COCO and V3DET. The code is available at https://github.com/kostas1515/AGLU.

We propose an algorithm for inexpensive gradient-based hyperparameter optimization that combines the implicit function theorem (IFT) with efficient inverse Hessian approximations. We present results about the relationship between the IFT and differentiating through optimization, motivating our algorithm. We use the proposed approach to train modern network architectures with millions of weights and millions of hyper-parameters. For example, we learn a data-augmentation network - where every weight is a hyperparameter tuned for validation performance - outputting augmented training examples. Jointly tuning weights and hyperparameters with our approach is only a few times more costly in memory and compute than standard training.

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.

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.

Instruction-following is a fundamental capability of language models, requiring the model to recognize even the most subtle requirements in the instructions and accurately reflect them in its output. Such an ability is well-suited for and often optimized by preference learning. However, existing methods often directly sample multiple independent responses from the model when creating preference pairs. Such practice can introduce content variations irrelevant to whether the instruction is precisely followed (e.g., different expressions about the same semantic), interfering with the goal of teaching models to recognize the key differences that lead to improved instruction following. In light of this, we introduce SPaR, a self-play framework integrating tree-search self-refinement to yield valid and comparable preference pairs free from distractions. By playing against itself, an LLM employs a tree-search strategy to refine its previous responses with respect to the instruction while minimizing unnecessary variations. Our experiments show that a LLaMA3-8B model, trained over three iterations guided by SPaR, surpasses GPT-4-Turbo on the IFEval benchmark without losing general capabilities. Furthermore, SPaR demonstrates promising scalability and transferability, greatly enhancing models like GLM-4-9B and LLaMA3-70B. We also identify how inference scaling in tree search would impact model performance. Our code and data are publicly available at https://github.com/thu-coai/SPaR.

Click-through prediction (CTR) models transform features into latent vectors and enumerate possible feature interactions to improve performance based on the input feature set. Therefore, when selecting an optimal feature set, we should consider the influence of both feature and its interaction. However, most previous works focus on either feature field selection or only select feature interaction based on the fixed feature set to produce the feature set. The former restricts search space to the feature field, which is too coarse to determine subtle features. They also do not filter useless feature interactions, leading to higher computation costs and degraded model performance. The latter identifies useful feature interaction from all available features, resulting in many redundant features in the feature set. In this paper, we propose a novel method named OptFS to address these problems. To unify the selection of feature and its interaction, we decompose the selection of each feature interaction into the selection of two correlated features. Such a decomposition makes the model end-to-end trainable given various feature interaction operations. By adopting feature-level search space, we set a learnable gate to determine whether each feature should be within the feature set. Because of the large-scale search space, we develop a learning-by-continuation training scheme to learn such gates. Hence, OptFS generates the feature set only containing features which improve the final prediction results. Experimentally, we evaluate OptFS on three public datasets, demonstrating OptFS can optimize feature sets which enhance the model performance and further reduce both the storage and computational cost.

Domain-adaptive post-training of large language models (LLMs) has emerged as a promising approach for specialized domains such as medicine and finance. However, significant challenges remain in identifying optimal adaptation criteria and training strategies across varying data and model configurations. To address these challenges, we introduce FINDAP, a systematic and fine-grained investigation into domain-adaptive post-training of LLMs for the finance domain. Our approach begins by identifying the core capabilities required for the target domain and designing a comprehensive evaluation suite aligned with these needs. We then analyze the effectiveness of key post-training stages, including continual pretraining, instruction tuning, and preference alignment. Building on these insights, we propose an effective training recipe centered on a novel preference data distillation method, which leverages process signals from a generative reward model. The resulting model, Llama-Fin, achieves state-of-the-art performance across a wide range of financial tasks. Our analysis also highlights how each post-training stage contributes to distinct capabilities, uncovering specific challenges and effective solutions, providing valuable insights for domain adaptation of LLMs. Project page: https://github.com/SalesforceAIResearch/FinDap

Improving the alignment of language models with human preferences remains an active research challenge. Previous approaches have primarily utilized Reinforcement Learning from Human Feedback (RLHF) via online RL methods such as Proximal Policy Optimization (PPO). Recently, offline methods such as Sequence Likelihood Calibration (SLiC) and Direct Preference Optimization (DPO) have emerged as attractive alternatives, offering improvements in stability and scalability while maintaining competitive performance. SLiC refines its loss function using sequence pairs sampled from a supervised fine-tuned (SFT) policy, while DPO directly optimizes language models based on preference data, foregoing the need for a separate reward model. However, the maximum likelihood estimator (MLE) of the target optimal policy requires labeled preference pairs sampled from that policy. DPO's lack of a reward model constrains its ability to sample preference pairs from the optimal policy, and SLiC is restricted to sampling preference pairs only from the SFT policy. To address these limitations, we introduce a novel approach called Statistical Rejection Sampling Optimization (RSO) that aims to source preference data from the target optimal policy using rejection sampling, enabling a more accurate estimation of the optimal policy. We also propose a unified framework that enhances the loss functions used in both SLiC and DPO from a preference modeling standpoint. Through extensive experiments across three diverse tasks, we demonstrate that RSO consistently outperforms both SLiC and DPO on evaluations from both Large Language Model (LLM) and human raters.

Recent work has shown that fine-tuning large pre-trained language models on a collection of tasks described via instructions, a.k.a. instruction-tuning, improves their zero and few-shot generalization to unseen tasks. However, there is a limited understanding of the performance trade-offs of different decisions made during the instruction-tuning process. These decisions include the scale and diversity of the instruction-tuning benchmark, different task sampling strategies, fine-tuning with and without demonstrations, training using specialized datasets for reasoning and dialogue, and finally, the fine-tuning objectives themselves. In this paper, we characterize the effect of instruction-tuning decisions on downstream task performance when scaling both model and benchmark sizes. To this end, we create OPT-IML Bench: a large benchmark for Instruction Meta-Learning (IML) of 2000 NLP tasks consolidated into task categories from 8 existing benchmarks, and prepare an evaluation framework to measure three types of model generalizations: to tasks from fully held-out categories, to held-out tasks from seen categories, and to held-out instances from seen tasks. Through the lens of this framework, we first present insights about instruction-tuning decisions as applied to OPT-30B and further exploit these insights to train OPT-IML 30B and 175B, which are instruction-tuned versions of OPT. OPT-IML demonstrates all three generalization abilities at both scales on four different evaluation benchmarks with diverse tasks and input formats -- PromptSource, FLAN, Super-NaturalInstructions, and UnifiedSKG. Not only does it significantly outperform OPT on all benchmarks but is also highly competitive with existing models fine-tuned on each specific benchmark. We release OPT-IML at both scales, together with the OPT-IML Bench evaluation framework.

First-order optimization (FOO) algorithms are pivotal in numerous computational domains such as machine learning and signal denoising. However, their application to complex tasks like neural network training often entails significant inefficiencies due to the need for many sequential iterations for convergence. In response, we introduce first-order optimization expedited with approximately parallelized iterations (OptEx), the first framework that enhances the efficiency of FOO by leveraging parallel computing to mitigate its iterative bottleneck. OptEx employs kernelized gradient estimation to make use of gradient history for future gradient prediction, enabling parallelization of iterations -- a strategy once considered impractical because of the inherent iterative dependency in FOO. We provide theoretical guarantees for the reliability of our kernelized gradient estimation and the iteration complexity of SGD-based OptEx, confirming that estimation errors diminish to zero as historical gradients accumulate and that SGD-based OptEx enjoys an effective acceleration rate of Omega(N) over standard SGD given parallelism of N. We also use extensive empirical studies, including synthetic functions, reinforcement learning tasks, and neural network training across various datasets, to underscore the substantial efficiency improvements achieved by OptEx.

Large language models (LLMs) with one or more fine-tuning phases have become a necessary step to unlock various capabilities, enabling LLMs to follow natural language instructions or align with human preferences. However, it carries the risk of catastrophic forgetting during sequential training, the parametric knowledge or the ability learned in previous stages may be overwhelmed by incoming training data. In this paper, we find that by regularly resetting partial parameters, LLMs can restore some of the original knowledge. Inspired by this, we introduce Half Fine-Tuning (HFT) for LLMs, as a substitute for full fine-tuning (FFT), to mitigate the forgetting issues, where half of the parameters are selected to learn new tasks while the other half are frozen to remain previous knowledge. We provide a feasibility analysis from the perspective of optimization and interpret the parameter selection operation as a regularization term. Without changing the model architecture, HFT could be seamlessly integrated into existing fine-tuning frameworks. Extensive experiments and analysis on supervised fine-tuning, direct preference optimization, and continual learning consistently demonstrate the effectiveness, robustness, and efficiency of HFT. Compared with FFT, HFT not only significantly alleviates the forgetting problem, but also achieves the best performance in a series of downstream benchmarks, with an approximately 30% reduction in training time.

We build a dual-way neural dictionary to retrieve words given definitions, and produce definitions for queried words. The model learns the two tasks simultaneously and handles unknown words via embeddings. It casts a word or a definition to the same representation space through a shared layer, then generates the other form in a multi-task fashion. Our method achieves promising automatic scores on previous benchmarks without extra resources. Human annotators prefer the model's outputs in both reference-less and reference-based evaluation, indicating its practicality. Analysis suggests that multiple objectives benefit learning.

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.

Reward engineering has long been a challenge in Reinforcement Learning (RL) research, as it often requires extensive human effort and iterative processes of trial-and-error to design effective reward functions. In this paper, we propose RL-VLM-F, a method that automatically generates reward functions for agents to learn new tasks, using only a text description of the task goal and the agent's visual observations, by leveraging feedbacks from vision language foundation models (VLMs). The key to our approach is to query these models to give preferences over pairs of the agent's image observations based on the text description of the task goal, and then learn a reward function from the preference labels, rather than directly prompting these models to output a raw reward score, which can be noisy and inconsistent. We demonstrate that RL-VLM-F successfully produces effective rewards and policies across various domains - including classic control, as well as manipulation of rigid, articulated, and deformable objects - without the need for human supervision, outperforming prior methods that use large pretrained models for reward generation under the same assumptions.

We present a method to formulate algorithm discovery as program search, and apply it to discover optimization algorithms for deep neural network training. We leverage efficient search techniques to explore an infinite and sparse program space. To bridge the large generalization gap between proxy and target tasks, we also introduce program selection and simplification strategies. Our method discovers a simple and effective optimization algorithm, Lion (Evo\textbf{Lved Sign Momentum}). It is more memory-efficient than Adam as it only keeps track of the momentum. Different from adaptive optimizers, its update has the same magnitude for each parameter calculated through the sign operation. We compare Lion with widely used optimizers, such as Adam and Adafactor, for training a variety of models on different tasks. On image classification, Lion boosts the accuracy of ViT by up to 2% on ImageNet and saves up to 5x the pre-training compute on JFT. On vision-language contrastive learning, we achieve 88.3% zero-shot and 91.1% fine-tuning accuracy on ImageNet, surpassing the previous best results by 2% and 0.1%, respectively. On diffusion models, Lion outperforms Adam by achieving a better FID score and reducing the training compute by up to 2.3x. For autoregressive, masked language modeling, and fine-tuning, Lion exhibits a similar or better performance compared to Adam. Our analysis of Lion reveals that its performance gain grows with the training batch size. It also requires a smaller learning rate than Adam due to the larger norm of the update produced by the sign function. Additionally, we examine the limitations of Lion and identify scenarios where its improvements are small or not statistically significant. The implementation of Lion is publicly available.

We study the problem of learning a single neuron with respect to the L_2^2-loss in the presence of adversarial label noise. We give an efficient algorithm that, for a broad family of activations including ReLUs, approximates the optimal L_2^2-error within a constant factor. Our algorithm applies under much milder distributional assumptions compared to prior work. The key ingredient enabling our results is a novel connection to local error bounds from optimization theory.

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.

Recent Meta-learning for Black-Box Optimization (MetaBBO) methods harness neural networks to meta-learn configurations of traditional black-box optimizers. Despite their success, they are inevitably restricted by the limitations of predefined hand-crafted optimizers. In this paper, we present Symbol, a novel framework that promotes the automated discovery of black-box optimizers through symbolic equation learning. Specifically, we propose a Symbolic Equation Generator (SEG) that allows closed-form optimization rules to be dynamically generated for specific tasks and optimization steps. Within Symbol, we then develop three distinct strategies based on reinforcement learning, so as to meta-learn the SEG efficiently. Extensive experiments reveal that the optimizers generated by Symbol not only surpass the state-of-the-art BBO and MetaBBO baselines, but also exhibit exceptional zero-shot generalization abilities across entirely unseen tasks with different problem dimensions, population sizes, and optimization horizons. Furthermore, we conduct in-depth analyses of our Symbol framework and the optimization rules that it generates, underscoring its desirable flexibility and interpretability.

We present an approach called Q-probing to adapt a pre-trained language model to maximize a task-specific reward function. At a high level, Q-probing sits between heavier approaches such as finetuning and lighter approaches such as few shot prompting, but can also be combined with either. The idea is to learn a simple linear function on a model's embedding space that can be used to reweight candidate completions. We theoretically show that this sampling procedure is equivalent to a KL-constrained maximization of the Q-probe as the number of samples increases. To train the Q-probes we consider either reward modeling or a class of novel direct policy learning objectives based on importance weighted policy gradients. With this technique, we see gains in domains with ground-truth rewards (code generation) as well as implicit rewards defined by preference data, even outperforming finetuning in data-limited regimes. Moreover, a Q-probe can be trained on top of an API since it only assumes access to sampling and embeddings. Code: https://github.com/likenneth/q_probe .

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.

Likelihood training and maximization-based decoding result in dull and repetitive generated texts even when using powerful language models (Holtzman et al., 2019). Adding a loss function for regularization was shown to improve text generation output by helping avoid unwanted properties, such as contradiction or repetition (Li at al., 2020). In this work, we propose fine-tuning a language model by using policy gradient reinforcement learning, directly optimizing for better generation. We apply this approach to minimizing repetition in generated text, and show that, when combined with unlikelihood training (Welleck et al., 2020), our method further reduces repetition without impacting the language model quality. We also evaluate other methods for improving generation at training and decoding time, and compare them using various metrics aimed at control for better text generation output.

We study the potential of using large language models (LLMs) as an interactive optimizer for solving maximization problems in a text space using natural language and numerical feedback. Inspired by the classical optimization literature, we classify the natural language feedback into directional and non-directional, where the former is a generalization of the first-order feedback to the natural language space. We find that LLMs are especially capable of optimization when they are provided with {directional feedback}. Based on this insight, we design a new LLM-based optimizer that synthesizes directional feedback from the historical optimization trace to achieve reliable improvement over iterations. Empirically, we show our LLM-based optimizer is more stable and efficient in solving optimization problems, from maximizing mathematical functions to optimizing prompts for writing poems, compared with existing techniques.

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.

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.

Large Transformer models are capable of implementing a plethora of so-called in-context learning algorithms. These include gradient descent, classification, sequence completion, transformation, and improvement. In this work, we investigate whether large language models (LLMs), which never explicitly encountered the task of black-box optimization, are in principle capable of implementing evolutionary optimization algorithms. While previous works have solely focused on language-based task specification, we move forward and focus on the zero-shot application of LLMs to black-box optimization. We introduce a novel prompting strategy, consisting of least-to-most sorting of discretized population members and querying the LLM to propose an improvement to the mean statistic, i.e. perform a type of black-box recombination operation. Empirically, we find that our setup allows the user to obtain an LLM-based evolution strategy, which we call `EvoLLM', that robustly outperforms baseline algorithms such as random search and Gaussian Hill Climbing on synthetic BBOB functions as well as small neuroevolution tasks. Hence, LLMs can act as `plug-in' in-context recombination operators. We provide several comparative studies of the LLM's model size, prompt strategy, and context construction. Finally, we show that one can flexibly improve EvoLLM's performance by providing teacher algorithm information via instruction fine-tuning on previously collected teacher optimization trajectories.

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.

Large language models (LLMs) have shown increasing power on various natural language processing (NLP) tasks. However, tuning these models for downstream tasks usually needs exorbitant costs or is unavailable due to commercial considerations. Recently, black-box tuning has been proposed to address this problem by optimizing task-specific prompts without accessing the gradients and hidden representations. However, most existing works have yet fully exploited the potential of gradient-free optimization under the scenario of few-shot learning. In this paper, we describe BBT-RGB, a suite of straightforward and complementary techniques for enhancing the efficiency and performance of black-box optimization. Specifically, our method includes three plug-and-play components: (1) Two-stage derivative-free optimization strategy that facilitates fast convergence and mitigates overfitting; (2) Automatic verbalizer construction with its novel usage under few-shot settings; (3) Better prompt initialization policy based on instruction search and auto-selected demonstration. Extensive experiments across various tasks on natural language understanding and inference demonstrate the effectiveness of our method. Our codes are publicly available at https://github.com/QiushiSun/BBT-RGB.

Direct Preference Optimization (DPO) and its variants have become increasingly popular for aligning language models with human preferences. These methods aim to teach models to better distinguish between chosen (or preferred) and rejected (or dispreferred) responses. However, prior research has identified that the probability of chosen responses often decreases during training, and this phenomenon is known as likelihood displacement. To tackle this challenge, in this work we introduce \method to controllably shift the distribution of the chosen probability. Then, we show that \method exhibits a fundamental trade-off between improving the chosen probability and sacrificing the reward margin, as supported by both theoretical analysis and experimental validation. Furthermore, we demonstrate the superiority of \method over DPO on downstream tasks such as MT-Bench and a designed win rate experiment. We believe this study shows that the likelihood displacement issue of DPO can be effectively mitigated with a simple, theoretically grounded solution. Our code is available at https://github.com/Meaquadddd/DPO-Shift.

Reinforcement learning from human feedback (RLHF) is a standard approach for fine-tuning large language models to follow instructions. As part of this process, learned reward models are used to approximately model human preferences. However, as imperfect representations of the "true" reward, these learned reward models are susceptible to overoptimization. Gao et al. (2023) studied this phenomenon in a synthetic human feedback setup with a significantly larger "gold" reward model acting as the true reward (instead of humans) and showed that overoptimization remains a persistent problem regardless of the size of the proxy reward model and training data used. Using a similar setup, we conduct a systematic study to evaluate the efficacy of using ensemble-based conservative optimization objectives, specifically worst-case optimization (WCO) and uncertainty-weighted optimization (UWO), for mitigating reward model overoptimization when using two optimization methods: (a) best-of-n sampling (BoN) (b) proximal policy optimization (PPO). We additionally extend the setup of Gao et al. (2023) to include 25% label noise to better mirror real-world conditions. Both with and without label noise, we find that conservative optimization practically eliminates overoptimization and improves performance by up to 70% for BoN sampling. For PPO, ensemble-based conservative optimization always reduces overoptimization and outperforms single reward model optimization. Moreover, combining it with a small KL penalty successfully prevents overoptimization at no performance cost. Overall, our results demonstrate that ensemble-based conservative optimization can effectively counter overoptimization.

The widespread applicability and increasing omnipresence of LLMs have instigated a need to align LLM responses to user and stakeholder preferences. Many preference optimization approaches have been proposed that fine-tune LLM parameters to achieve good alignment. However, such parameter tuning is known to interfere with model performance on many tasks. Moreover, keeping up with shifting user preferences is tricky in such a situation. Decoding-time alignment with reward model guidance solves these issues at the cost of increased inference time. However, most of such methods fail to strike the right balance between exploration and exploitation of reward -- often due to the conflated formulation of these two aspects - to give well-aligned responses. To remedy this we decouple these two aspects and implement them in an evolutionary fashion: exploration is enforced by decoding from mutated instructions and exploitation is represented as the periodic replacement of poorly-rewarded generations with well-rewarded ones. Empirical evidences indicate that this strategy outperforms many preference optimization and decode-time alignment approaches on two widely accepted alignment benchmarks AlpacaEval 2 and MT-Bench. Our implementation will be available at: https://darwin-alignment.github.io.

Model-Based Reinforcement Learning (RL) is widely believed to have the potential to improve sample efficiency by allowing an agent to synthesize large amounts of imagined experience. Experience Replay (ER) can be considered a simple kind of model, which has proved extremely effective at improving the stability and efficiency of deep RL. In principle, a learned parametric model could improve on ER by generalizing from real experience to augment the dataset with additional plausible experience. However, owing to the many design choices involved in empirically successful algorithms, it can be very hard to establish where the benefits are actually coming from. Here, we provide theoretical and empirical insight into when, and how, we can expect data generated by a learned model to be useful. First, we provide a general theorem motivating how learning a model as an intermediate step can narrow down the set of possible value functions more than learning a value function directly from data using the Bellman equation. Second, we provide an illustrative example showing empirically how a similar effect occurs in a more concrete setting with neural network function approximation. Finally, we provide extensive experiments showing the benefit of model-based learning for online RL in environments with combinatorial complexity, but factored structure that allows a learned model to generalize. In these experiments, we take care to control for other factors in order to isolate, insofar as possible, the benefit of using experience generated by a learned model relative to ER alone.

A common technique for aligning large language models (LLMs) relies on acquiring human preferences by comparing multiple generations conditioned on a fixed context. This only leverages the pairwise comparisons when the generations are placed in an identical context. However, such conditional rankings often fail to capture the complex and multidimensional aspects of human preferences. In this work, we revisit the traditional paradigm of preference acquisition and propose a new axis that is based on eliciting preferences jointly over the instruction-response pairs. While prior preference optimizations are designed for conditional ranking protocols (e.g., DPO), our proposed preference acquisition protocol introduces DOVE, a new preference optimization objective that upweights the joint probability of the chosen instruction-response pair over the rejected instruction-response pair. Interestingly, we find that the LLM trained with joint instruction-response preference data using DOVE outperforms the LLM trained with DPO by 5.2% and 3.3% win-rate for the summarization and open-ended dialogue datasets, respectively. Our findings reveal that joint preferences over instruction and response pairs can significantly enhance the alignment of LLMs by tapping into a broader spectrum of human preference elicitation. The data and code is available at https://github.com/Hritikbansal/dove.

Effective personalization of LLMs is critical for a broad range of user-interfacing applications such as virtual assistants and content curation. Inspired by the strong in-context learning capabilities of LLMs, we propose Few-Shot Preference Optimization (FSPO), which reframes reward modeling as a meta-learning problem. Under this framework, an LLM learns to quickly adapt to a user via a few labeled preferences from that user, constructing a personalized reward function for them. Additionally, since real-world preference data is scarce and challenging to collect at scale, we propose careful design choices to construct synthetic preference datasets for personalization, generating over 1M synthetic personalized preferences using publicly available LLMs. In particular, to successfully transfer from synthetic data to real users, we find it crucial for the data to exhibit both high diversity and coherent, self-consistent structure. We evaluate FSPO on personalized open-ended generation for up to 1,500 synthetic users across across three domains: movie reviews, pedagogical adaptation based on educational background, and general question answering, along with a controlled human study. Overall, FSPO achieves an 87% Alpaca Eval winrate on average in generating responses that are personalized to synthetic users and a 72% winrate with real human users in open-ended question answering.

Preference optimization, particularly through Reinforcement Learning from Human Feedback (RLHF), has achieved significant success in aligning Large Language Models (LLMs) to adhere to human intentions. Unlike offline alignment with a fixed dataset, online feedback collection from humans or AI on model generations typically leads to more capable reward models and better-aligned LLMs through an iterative process. However, achieving a globally accurate reward model requires systematic exploration to generate diverse responses that span the vast space of natural language. Random sampling from standard reward-maximizing LLMs alone is insufficient to fulfill this requirement. To address this issue, we propose a bilevel objective optimistically biased towards potentially high-reward responses to actively explore out-of-distribution regions. By solving the inner-level problem with the reparameterized reward function, the resulting algorithm, named Self-Exploring Language Models (SELM), eliminates the need for a separate RM and iteratively updates the LLM with a straightforward objective. Compared to Direct Preference Optimization (DPO), the SELM objective reduces indiscriminate favor of unseen extrapolations and enhances exploration efficiency. Our experimental results demonstrate that when finetuned on Zephyr-7B-SFT and Llama-3-8B-Instruct models, SELM significantly boosts the performance on instruction-following benchmarks such as MT-Bench and AlpacaEval 2.0, as well as various standard academic benchmarks in different settings. Our code and models are available at https://github.com/shenao-zhang/SELM.

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.

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.

The rise in internet usage has led to the generation of massive amounts of data, resulting in the adoption of various supervised and semi-supervised machine learning algorithms, which can effectively utilize the colossal amount of data to train models. However, before deploying these models in the real world, these must be strictly evaluated on performance measures like worst-case recall and satisfy constraints such as fairness. We find that current state-of-the-art empirical techniques offer sub-optimal performance on these practical, non-decomposable performance objectives. On the other hand, the theoretical techniques necessitate training a new model from scratch for each performance objective. To bridge the gap, we propose SelMix, a selective mixup-based inexpensive fine-tuning technique for pre-trained models, to optimize for the desired objective. The core idea of our framework is to determine a sampling distribution to perform a mixup of features between samples from particular classes such that it optimizes the given objective. We comprehensively evaluate our technique against the existing empirical and theoretically principled methods on standard benchmark datasets for imbalanced classification. We find that proposed SelMix fine-tuning significantly improves the performance for various practical non-decomposable objectives across benchmarks.

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.

Loss of plasticity is a phenomenon where neural networks become more difficult to train during the course of learning. Continual learning algorithms seek to mitigate this effect by sustaining good predictive performance while maintaining network trainability. We develop new techniques for improving continual learning by first reconsidering how initialization can ensure trainability during early phases of learning. From this perspective, we derive new regularization strategies for continual learning that ensure beneficial initialization properties are better maintained throughout training. In particular, we investigate two new regularization techniques for continual learning: (i) Wasserstein regularization toward the initial weight distribution, which is less restrictive than regularizing toward initial weights; and (ii) regularizing weight matrix singular values, which directly ensures gradient diversity is maintained throughout training. We present an experimental analysis that shows these alternative regularizers can improve continual learning performance across a range of supervised learning tasks and model architectures. The alternative regularizers prove to be less sensitive to hyperparameters while demonstrating better training in individual tasks, sustaining trainability as new tasks arrive, and achieving better generalization performance.

Iterative preference optimization has recently become one of the de-facto training paradigms for large language models (LLMs), but the performance is still underwhelming due to too much noisy preference data yielded in the loop. To combat this issue, we present an Uncertainty-enhanced Preference Optimization (UPO) framework to make the LLM self-evolve with reliable feedback. The key idea is mitigating the noisy preference data derived from the current policy and reward models by performing pair-wise uncertainty estimation and judiciously reliable feedback sampling. To reach this goal, we thus introduce an estimator model, which incorporates Monte Carlo (MC) dropout in Bayesian neural network (BNN) to perform uncertainty estimation for the preference data derived from the LLM policy. Compared to the existing methods that directly filter generated responses based on the reward score, the estimator focuses on the model uncertainty in a pair-wise manner and effectively bypasses the confirmation bias problem of the reward model. Additionally, we also propose an uncertainty-enhanced self-evolution algorithm to improve the robustness of preference optimization and encourage the LLM to generate responses with both high reward and certainty. Extensive experiments over multiple benchmarks demonstrate that our framework substantially alleviates the noisy problem and improves the performance of iterative preference optimization.

AdamW has been the default optimizer for transformer pretraining. For many years, our community searches for faster and more stable optimizers with only constraint positive outcomes. In this work, we propose a single-line modification in Pytorch to any momentum-based optimizer, which we rename Cautious Optimizer, e.g. C-AdamW and C-Lion. Our theoretical result shows that this modification preserves Adam's Hamiltonian function and it does not break the convergence guarantee under the Lyapunov analysis. In addition, a whole new family of optimizers is revealed by our theoretical insight. Among them, we pick the simplest one for empirical experiments, showing speed-up on Llama and MAE pretraining up to 1.47times. Code is available at https://github.com/kyleliang919/C-Optim

LLM-based Automatic Prompt Optimization, which typically utilizes LLMs as Prompt Optimizers to self-reflect and refine prompts, has shown promising performance in recent studies. Despite the success, the underlying mechanism of this approach remains unexplored, and the true effectiveness of LLMs as Prompt Optimizers requires further validation. In this work, we conducted a comprehensive study to uncover the actual mechanism of LLM-based Prompt Optimization. Our findings reveal that the LLM optimizers struggle to identify the true causes of errors during reflection, tending to be biased by their own prior knowledge rather than genuinely reflecting on the errors. Furthermore, even when the reflection is semantically valid, the LLM optimizers often fail to generate appropriate prompts for the target models with a single prompt refinement step, partly due to the unpredictable behaviors of the target models. Based on the observations, we introduce a new "Automatic Behavior Optimization" paradigm, which directly optimizes the target model's behavior in a more controllable manner. We hope our study can inspire new directions for automatic prompt optimization development.

When an agent encounters a continual stream of new tasks in the lifelong learning setting, it leverages the knowledge it gained from the earlier tasks to help learn the new tasks better. In such a scenario, identifying an efficient knowledge representation becomes a challenging problem. Most research works propose to either store a subset of examples from the past tasks in a replay buffer, dedicate a separate set of parameters to each task or penalize excessive updates over parameters by introducing a regularization term. While existing methods employ the general task-agnostic stochastic gradient descent update rule, we propose a task-aware optimizer that adapts the learning rate based on the relatedness among tasks. We utilize the directions taken by the parameters during the updates by accumulating the gradients specific to each task. These task-based accumulated gradients act as a knowledge base that is maintained and updated throughout the stream. We empirically show that our proposed adaptive learning rate not only accounts for catastrophic forgetting but also allows positive backward transfer. We also show that our method performs better than several state-of-the-art methods in lifelong learning on complex datasets with a large number of tasks.

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.

Designing reward functions is a core component of reinforcement learning but can be challenging for truly complex behavior. Reinforcement Learning from Human Feedback (RLHF) has been used to alleviate this challenge by replacing a hand-coded reward function with a reward function learned from preferences. However, it can be exceedingly inefficient to learn these rewards as they are often learned tabula rasa. We investigate whether Large Language Models (LLMs) can reduce this query inefficiency by converting an iterative series of human preferences into code representing the rewards. We propose In-Context Preference Learning (ICPL), a method that uses the grounding of an LLM to accelerate learning reward functions from preferences. ICPL takes the environment context and task description, synthesizes a set of reward functions, and then repeatedly updates the reward functions using human rankings of videos of the resultant policies. Using synthetic preferences, we demonstrate that ICPL is orders of magnitude more efficient than RLHF and is even competitive with methods that use ground-truth reward functions instead of preferences. Finally, we perform a series of human preference-learning trials and observe that ICPL extends beyond synthetic settings and can work effectively with humans-in-the-loop. Additional information and videos are provided at https://sites.google.com/view/few-shot-icpl/home.

Bayesian optimization (BO) is a powerful approach for optimizing complex and expensive-to-evaluate black-box functions. Its importance is underscored in many applications, notably including hyperparameter tuning, but its efficacy depends on efficiently balancing exploration and exploitation. While there has been substantial progress in BO methods, striking this balance remains a delicate process. In this light, we present LLAMBO, a novel approach that integrates the capabilities of Large Language Models (LLM) within BO. At a high level, we frame the BO problem in natural language, enabling LLMs to iteratively propose and evaluate promising solutions conditioned on historical evaluations. More specifically, we explore how combining contextual understanding, few-shot learning proficiency, and domain knowledge of LLMs can improve model-based BO. Our findings illustrate that LLAMBO is effective at zero-shot warmstarting, and enhances surrogate modeling and candidate sampling, especially in the early stages of search when observations are sparse. Our approach is performed in context and does not require LLM finetuning. Additionally, it is modular by design, allowing individual components to be integrated into existing BO frameworks, or function cohesively as an end-to-end method. We empirically validate LLAMBO's efficacy on the problem of hyperparameter tuning, highlighting strong empirical performance across a range of diverse benchmarks, proprietary, and synthetic tasks.

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).

Preference optimization methods typically begin training with a well-trained SFT model as a reference model. In RLHF and DPO, a regularization term is used during the preference optimization process to prevent the policy model from deviating too far from the reference model's distribution, thereby avoiding the generation of anomalous responses. When the reference model is already well-aligned with the given data or only requires slight adjustments, this approach can produce a well-aligned model. However, if the reference model is not aligned with the given data and requires significant deviation from its current state, a regularization term may actually hinder the model alignment. In this study, we propose Modulated Intervention Preference Optimization (MIPO) to address this issue. MIPO modulates the degree of intervention from the reference model based on how well the given data is aligned with it. If the data is well-aligned, the intervention is increased to prevent the policy model from diverging significantly from reference model. Conversely, if the alignment is poor, the interference is reduced to facilitate more extensive training. We compare the performance of MIPO and DPO using Mistral-7B and Llama3-8B in Alpaca Eval 2.0 and MT-Bench. The experimental results demonstrate that MIPO consistently outperforms DPO across various evaluation scenarios.

Iterative preference optimization methods have recently been shown to perform well for general instruction tuning tasks, but typically make little improvement on reasoning tasks (Yuan et al., 2024, Chen et al., 2024). In this work we develop an iterative approach that optimizes the preference between competing generated Chain-of-Thought (CoT) candidates by optimizing for winning vs. losing reasoning steps that lead to the correct answer. We train using a modified DPO loss (Rafailov et al., 2023) with an additional negative log-likelihood term, which we find to be crucial. We show reasoning improves across repeated iterations of this scheme. While only relying on examples in the training set, our approach results in increasing accuracy for Llama-2-70B-Chat from 55.6% to 81.6% on GSM8K (and 88.7% with majority voting out of 32 samples), from 12.5% to 20.8% on MATH, and from 77.8% to 86.7% on ARC-Challenge, which outperforms other Llama-2-based models not relying on additionally sourced datasets.

Reward models trained on human preference data have been proven to be effective for aligning Large Language Models (LLMs) with human intent within the reinforcement learning from human feedback (RLHF) framework. However, the generalization capabilities of current reward models to unseen prompts and responses are limited. This limitation can lead to an unexpected phenomenon known as reward over-optimization, where excessive optimization of rewards results in a decline in actual performance. While previous research has advocated for constraining policy optimization, our study proposes a novel approach to enhance the reward model's generalization ability against distribution shifts by regularizing the hidden states. Specifically, we retain the base model's language model head and incorporate a suite of text-generation losses to preserve the hidden states' text generation capabilities, while concurrently learning a reward head behind the same hidden states. Our experimental results demonstrate that the introduced regularization technique markedly improves the accuracy of learned reward models across a variety of out-of-distribution (OOD) tasks and effectively alleviate the over-optimization issue in RLHF, offering a more reliable and robust preference learning paradigm.

RLHF techniques like DPO can significantly improve the generation quality of text-to-image diffusion models. However, these methods optimize for a single reward that aligns model generation with population-level preferences, neglecting the nuances of individual users' beliefs or values. This lack of personalization limits the efficacy of these models. To bridge this gap, we introduce PPD, a multi-reward optimization objective that aligns diffusion models with personalized preferences. With PPD, a diffusion model learns the individual preferences of a population of users in a few-shot way, enabling generalization to unseen users. Specifically, our approach (1) leverages a vision-language model (VLM) to extract personal preference embeddings from a small set of pairwise preference examples, and then (2) incorporates the embeddings into diffusion models through cross attention. Conditioning on user embeddings, the text-to-image models are fine-tuned with the DPO objective, simultaneously optimizing for alignment with the preferences of multiple users. Empirical results demonstrate that our method effectively optimizes for multiple reward functions and can interpolate between them during inference. In real-world user scenarios, with as few as four preference examples from a new user, our approach achieves an average win rate of 76\% over Stable Cascade, generating images that more accurately reflect specific user preferences.

We introduce Gradient Descent with Adaptive Momentum Scaling (Grams), a novel optimization algorithm that decouples the direction and magnitude of parameter updates in deep learning. Unlike traditional optimizers that directly integrate momentum into updates, Grams separates the update direction, derived from current gradients, from momentum, which is used solely for adaptive magnitude scaling. This approach enables Grams to achieve improved loss descent compared to state-of-the-art cautious and momentum-based optimizers. We establish a global convergence guarantee for Grams and validate its effectiveness through extensive empirical evaluations. The results demonstrate Grams' superior performance, including faster convergence and better generalization, compared to widely-used optimizers such as Adam, Lion, and their cautious variants. Our results highlight Grams' potential as a transformative approach for efficient optimization in large-scale machine learning.

Popular machine learning approaches forgo second-order information due to the difficulty of computing curvature in high dimensions. We present FOSI, a novel meta-algorithm that improves the performance of any base first-order optimizer by efficiently incorporating second-order information during the optimization process. In each iteration, FOSI implicitly splits the function into two quadratic functions defined on orthogonal subspaces, then uses a second-order method to minimize the first, and the base optimizer to minimize the other. We formally analyze FOSI's convergence and the conditions under which it improves a base optimizer. Our empirical evaluation demonstrates that FOSI improves the convergence rate and optimization time of first-order methods such as Heavy-Ball and Adam, and outperforms second-order methods (K-FAC and L-BFGS).

Existing pre-trained models are generally geared towards a particular class of problems. To date, there seems to be still no consensus on what the right architecture and pre-training setup should be. This paper presents a unified framework for pre-training models that are universally effective across datasets and setups. We begin by disentangling architectural archetypes with pre-training objectives -- two concepts that are commonly conflated. Next, we present a generalized & unified perspective for self-supervision in NLP and show how different pre-training objectives can be cast as one another and how interpolating between different objectives can be effective. We then propose Mixture-of-Denoisers (MoD), a pre-training objective that combines diverse pre-training paradigms together. We furthermore introduce a notion of mode switching, wherein downstream fine-tuning is associated with specific pre-training schemes. We conduct extensive ablative experiments to compare multiple pre-training objectives and find that our method pushes the Pareto-frontier by outperforming T5 & GPT-like models across multiple diverse setups. By scaling our model up to 20B parameters, we achieve SOTA performance on 50 well-established supervised finetuning based NLP tasks. Our model also achieve strong results at in-context learning, outperforming 175B GPT-3 on zero-shot SuperGLUE and tripling the performance of T5-XXL on one-shot summarization. On 0-shot MMLU, UL2 20B outperforms T0 and T5 models. UL2 20B also works well with chain-of-thought prompting and reasoning, making it an appealing choice for research into reasoning at a small to medium scale of 20B parameters. Finally, we apply FLAN instruction tuning to the UL2 20B model, achieving MMLU and Big-Bench scores competitive to FLAN-PaLM 62B. We release Flax-based T5X checkpoints for the UL2 20B & Flan-UL2 20B.

Large Language Models (LLMs) have highlighted the necessity of effective unlearning mechanisms to comply with data regulations and ethical AI practices. LLM unlearning aims at removing undesired data influences and associated model capabilities without compromising utility out of the scope of unlearning. While interest in studying LLM unlearning is growing,the impact of the optimizer choice for LLM unlearning remains under-explored. In this work, we shed light on the significance of optimizer selection in LLM unlearning for the first time, establishing a clear connection between {second-order optimization} and influence unlearning (a classical approach using influence functions to update the model for data influence removal). This insight propels us to develop a second-order unlearning framework, termed SOUL, built upon the second-order clipped stochastic optimization (Sophia)-based LLM training method. SOUL extends the static, one-shot model update using influence unlearning to a dynamic, iterative unlearning process. Our extensive experiments show that SOUL consistently outperforms conventional first-order methods across various unlearning tasks, models, and metrics, suggesting the promise of second-order optimization in providing a scalable and easily implementable solution for LLM unlearning.

Aligning Large Language Models (LLMs) to human preferences through preference optimization has been crucial but labor-intensive, necessitating for each prompt a comparison of both a chosen and a rejected text completion by evaluators. Recently, Kahneman-Tversky Optimization (KTO) has demonstrated that LLMs can be aligned using merely binary "thumbs-up" or "thumbs-down" signals on each prompt-completion pair. In this paper, we present theoretical foundations to explain the successful alignment achieved through these binary signals. Our analysis uncovers a new perspective: optimizing a binary classifier, whose logit is a reward, implicitly induces minimizing the Direct Preference Optimization (DPO) loss. In the process of this discovery, we identified two techniques for effective alignment: reward shift and underlying distribution matching. Consequently, we propose a new algorithm, Binary Classifier Optimization, that integrates the techniques. We validate our methodology in two settings: first, on a paired preference dataset, where our method performs on par with DPO and KTO; and second, on binary signal datasets simulating real-world conditions with divergent underlying distributions between thumbs-up and thumbs-down data. Our model consistently demonstrates effective and robust alignment across two base LLMs and three different binary signal datasets, showcasing the strength of our approach to learning from binary feedback.

The dominant framework for alignment of large language models (LLM), whether through reinforcement learning from human feedback or direct preference optimisation, is to learn from preference data. This involves building datasets where each element is a quadruplet composed of a prompt, two independent responses (completions of the prompt) and a human preference between the two independent responses, yielding a preferred and a dis-preferred response. Such data is typically scarce and expensive to collect. On the other hand, single-trajectory datasets where each element is a triplet composed of a prompt, a response and a human feedback is naturally more abundant. The canonical element of such datasets is for instance an LLM's response to a user's prompt followed by a user's feedback such as a thumbs-up/down. Consequently, in this work, we propose DRO, or Direct Reward Optimisation, as a framework and associated algorithms that do not require pairwise preferences. DRO uses a simple mean-squared objective that can be implemented in various ways. We validate our findings empirically, using T5 encoder-decoder language models, and show DRO's performance over selected baselines such as Kahneman-Tversky Optimization (KTO). Thus, we confirm that DRO is a simple and empirically compelling method for single-trajectory policy optimisation.

Recently, there has been significant interest in replacing the reward model in Reinforcement Learning with Human Feedback (RLHF) methods for Large Language Models (LLMs), such as Direct Preference Optimization (DPO) and its variants. These approaches commonly use a binary cross-entropy mechanism on pairwise samples, i.e., minimizing and maximizing the loss based on preferred or dis-preferred responses, respectively. However, while this training strategy omits the reward model, it also overlooks the varying preference degrees within different responses. We hypothesize that this is a key factor hindering LLMs from sufficiently understanding human preferences. To address this problem, we propose a novel Self-supervised Preference Optimization (SPO) framework, which constructs a self-supervised preference degree loss combined with the alignment loss, thereby helping LLMs improve their ability to understand the degree of preference. Extensive experiments are conducted on two widely used datasets of different tasks. The results demonstrate that SPO can be seamlessly integrated with existing preference optimization methods and significantly boost their performance to achieve state-of-the-art performance. We also conduct detailed analyses to offer comprehensive insights into SPO, which verifies its effectiveness. The code is available at https://github.com/lijian16/SPO.

Feature selection helps reduce data acquisition costs in ML, but the standard approach is to train models with static feature subsets. Here, we consider the dynamic feature selection (DFS) problem where a model sequentially queries features based on the presently available information. DFS is often addressed with reinforcement learning, but we explore a simpler approach of greedily selecting features based on their conditional mutual information. This method is theoretically appealing but requires oracle access to the data distribution, so we develop a learning approach based on amortized optimization. The proposed method is shown to recover the greedy policy when trained to optimality, and it outperforms numerous existing feature selection methods in our experiments, thus validating it as a simple but powerful approach for this problem.

Reinforcement Learning from Human Feedback (RLHF) has been credited as the key advance that has allowed Large Language Models (LLMs) to effectively follow instructions and produce useful assistance. Classically, this involves generating completions from the LLM in response to a query before using a separate reward model to assign a score to the full completion. As an auto-regressive process, the LLM has to take many "actions" (selecting individual tokens) and only receives a single, sparse reward at the end of an episode, a setup that is known to be difficult to optimise in traditional reinforcement learning. In this work we leverage the fact that the reward model contains more information than just its scalar output, in particular, it calculates an attention map over tokens as part of the transformer architecture. We use these attention weights to redistribute the reward along the whole completion, effectively densifying the signal and highlighting the most important tokens, all without incurring extra computational cost or requiring any additional modelling. We demonstrate that, theoretically, this approach is equivalent to potential-based reward shaping, ensuring that the optimal policy remains unchanged. Empirically, we show that it stabilises training, accelerates the rate of learning, and, in practical cases, may lead to better local optima.

Successful negotiators must learn how to balance optimizing for self-interest and cooperation. Yet current artificial negotiation agents often heavily depend on the quality of the static datasets they were trained on, limiting their capacity to fashion an adaptive response balancing self-interest and cooperation. For this reason, we find that these agents can achieve either high utility or cooperation, but not both. To address this, we introduce a targeted data acquisition framework where we guide the exploration of a reinforcement learning agent using annotations from an expert oracle. The guided exploration incentivizes the learning agent to go beyond its static dataset and develop new negotiation strategies. We show that this enables our agents to obtain higher-reward and more Pareto-optimal solutions when negotiating with both simulated and human partners compared to standard supervised learning and reinforcement learning methods. This trend additionally holds when comparing agents using our targeted data acquisition framework to variants of agents trained with a mix of supervised learning and reinforcement learning, or to agents using tailored reward functions that explicitly optimize for utility and Pareto-optimality.

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%.

The efficacy of large language models (LLMs) in understanding and generating natural language has aroused a wide interest in developing prompt-based methods to harness the power of black-box LLMs. Existing methodologies usually prioritize a global optimization for finding the global optimum, which however will perform poorly in certain tasks. This thus motivates us to re-think the necessity of finding a global optimum in prompt optimization. To answer this, we conduct a thorough empirical study on prompt optimization and draw two major insights. Contrasting with the rarity of global optimum, local optima are usually prevalent and well-performed, which can be more worthwhile for efficient prompt optimization (Insight I). The choice of the input domain, covering both the generation and the representation of prompts, affects the identification of well-performing local optima (Insight II). Inspired by these insights, we propose a novel algorithm, namely localized zeroth-order prompt optimization (ZOPO), which incorporates a Neural Tangent Kernel-based derived Gaussian process into standard zeroth-order optimization for an efficient search of well-performing local optima in prompt optimization. Remarkably, ZOPO outperforms existing baselines in terms of both the optimization performance and the query efficiency, which we demonstrate through extensive experiments.

Sampling is ubiquitous in machine learning methodologies. Due to the growth of large datasets and model complexity, we want to learn and adapt the sampling process while training a representation. Towards achieving this grand goal, a variety of sampling techniques have been proposed. However, most of them either use a fixed sampling scheme or adjust the sampling scheme based on simple heuristics. They cannot choose the best sample for model training in different stages. Inspired by "Think, Fast and Slow" (System 1 and System 2) in cognitive science, we propose a reward-guided sampling strategy called Adaptive Sample with Reward (ASR) to tackle this challenge. To the best of our knowledge, this is the first work utilizing reinforcement learning (RL) to address the sampling problem in representation learning. Our approach optimally adjusts the sampling process to achieve optimal performance. We explore geographical relationships among samples by distance-based sampling to maximize overall cumulative reward. We apply ASR to the long-standing sampling problems in similarity-based loss functions. Empirical results in information retrieval and clustering demonstrate ASR's superb performance across different datasets. We also discuss an engrossing phenomenon which we name as "ASR gravity well" in experiments.

Researchers and practitioners have recently reframed powerful Large Language Models (LLMs) as agents, enabling them to automate complex tasks largely via the use of specialized functions. To facilitate the development of LLM agents, we present a novel paradigm of training LLM agents without modifying the LLM weights, which is particularly useful when the LLMs are difficult or inaccessible for modifications. Inspired by how humans continuously forge tools to adapt to real-world tasks, rather than change our biological structure to fit a static set of tools, we propose to progressively forge agent's functions to better solve the downstream tasks instead of modifying the LLM weights. By treating the functions as learnable `agent parameters' and leveraging the fundamental idea of model training in artificial intelligence, we develop AgentOptimizer that employs the LLM to update agents' functions and devise an agent training algorithm with two strategies, roll-back, and early-stop, to streamline the training process. With extensive experiments, we showcase that the agent training paradigm could significantly improve the performance of representative LLM agents in various downstream tasks. We also study the behavior of the agent training regarding aspects like the learning curve and domain transferability.

Text-to-image diffusion models have recently emerged at the forefront of image generation, powered by very large-scale unsupervised or weakly supervised text-to-image training datasets. Due to their unsupervised training, controlling their behavior in downstream tasks, such as maximizing human-perceived image quality, image-text alignment, or ethical image generation, is difficult. Recent works finetune diffusion models to downstream reward functions using vanilla reinforcement learning, notorious for the high variance of the gradient estimators. In this paper, we propose AlignProp, a method that aligns diffusion models to downstream reward functions using end-to-end backpropagation of the reward gradient through the denoising process. While naive implementation of such backpropagation would require prohibitive memory resources for storing the partial derivatives of modern text-to-image models, AlignProp finetunes low-rank adapter weight modules and uses gradient checkpointing, to render its memory usage viable. We test AlignProp in finetuning diffusion models to various objectives, such as image-text semantic alignment, aesthetics, compressibility and controllability of the number of objects present, as well as their combinations. We show AlignProp achieves higher rewards in fewer training steps than alternatives, while being conceptually simpler, making it a straightforward choice for optimizing diffusion models for differentiable reward functions of interest. Code and Visualization results are available at https://align-prop.github.io/.

Program synthesis aims to create accurate, executable code from natural language descriptions. This field has leveraged the power of reinforcement learning (RL) in conjunction with large language models (LLMs), significantly enhancing code generation capabilities. This integration focuses on directly optimizing functional correctness, transcending conventional supervised losses. While current literature predominantly favors policy-based algorithms, attributes of program synthesis suggest a natural compatibility with value-based methods. This stems from rich collection of off-policy programs developed by human programmers, and the straightforward verification of generated programs through automated unit testing (i.e. easily obtainable rewards in RL language). Diverging from the predominant use of policy-based algorithms, our work explores the applicability of value-based approaches, leading to the development of our B-Coder (pronounced Bellman coder). Yet, training value-based methods presents challenges due to the enormous search space inherent to program synthesis. To this end, we propose an initialization protocol for RL agents utilizing pre-trained LMs and a conservative Bellman operator to reduce training complexities. Moreover, we demonstrate how to leverage the learned value functions as a dual strategy to post-process generated programs. Our empirical evaluations demonstrated B-Coder's capability in achieving state-of-the-art performance compared with policy-based methods. Remarkably, this achievement is reached with minimal reward engineering effort, highlighting the effectiveness of value-based RL, independent of reward designs.

Recent advancements in large language models have opened new possibilities for generative molecular drug design. We present Chemlactica and Chemma, two language models fine-tuned on a novel corpus of 110M molecules with computed properties, totaling 40B tokens. These models demonstrate strong performance in generating molecules with specified properties and predicting new molecular characteristics from limited samples. We introduce a novel optimization algorithm that leverages our language models to optimize molecules for arbitrary properties given limited access to a black box oracle. Our approach combines ideas from genetic algorithms, rejection sampling, and prompt optimization. It achieves state-of-the-art performance on multiple molecular optimization benchmarks, including an 8% improvement on Practical Molecular Optimization compared to previous methods. We publicly release the training corpus, the language models and the optimization algorithm.

Large language models have demonstrated remarkable capabilities, but their performance is heavily reliant on effective prompt engineering. Automatic prompt optimization (APO) methods are designed to automate this and can be broadly categorized into those targeting instructions (instruction optimization, IO) vs. those targeting exemplars (exemplar selection, ES). Despite their shared objective, these have evolved rather independently, with IO recently receiving more research attention. This paper seeks to bridge this gap by comprehensively comparing the performance of representative IO and ES techniques, both isolation and combination, on a diverse set of challenging tasks. Our findings reveal that intelligently reusing model-generated input-output pairs obtained from evaluating prompts on the validation set as exemplars consistently improves performance over IO methods but is currently under-investigated. We also find that despite the recent focus on IO, how we select exemplars can outweigh how we optimize instructions, with ES strategies as simple as random search outperforming state-of-the-art IO methods with seed instructions without any optimization. Moreover, we observe synergy between ES and IO, with optimal combinations surpassing individual contributions. We conclude that studying exemplar selection as a standalone method and its optimal combination with instruction optimization remains a crucial aspect of APO and deserves greater consideration in future research, even in the era of highly capable instruction-following models.

Kahneman & Tversky's prospect theory tells us that humans perceive random variables in a biased but well-defined manner; for example, humans are famously loss-averse. We show that objectives for aligning LLMs with human feedback implicitly incorporate many of these biases -- the success of these objectives (e.g., DPO) over cross-entropy minimization can partly be ascribed to them being human-aware loss functions (HALOs). However, the utility functions these methods attribute to humans still differ from those in the prospect theory literature. Using a Kahneman-Tversky model of human utility, we propose a HALO that directly maximizes the utility of generations instead of maximizing the log-likelihood of preferences, as current methods do. We call this approach Kahneman-Tversky Optimization (KTO), and it matches or exceeds the performance of preference-based methods at scales from 1B to 30B. Crucially, KTO does not need preferences -- only a binary signal of whether an output is desirable or undesirable for a given input. This makes it far easier to use in the real world, where preference data is scarce and expensive.

We propose a novel interpretation technique to explain the behavior of structured output models, which learn mappings between an input vector to a set of output variables simultaneously. Because of the complex relationship between the computational path of output variables in structured models, a feature can affect the value of output through other ones. We focus on one of the outputs as the target and try to find the most important features utilized by the structured model to decide on the target in each locality of the input space. In this paper, we assume an arbitrary structured output model is available as a black box and argue how considering the correlations between output variables can improve the explanation performance. The goal is to train a function as an interpreter for the target output variable over the input space. We introduce an energy-based training process for the interpreter function, which effectively considers the structural information incorporated into the model to be explained. The effectiveness of the proposed method is confirmed using a variety of simulated and real data sets.

We propose iterative inversion -- an algorithm for learning an inverse function without input-output pairs, but only with samples from the desired output distribution and access to the forward function. The key challenge is a distribution shift between the desired outputs and the outputs of an initial random guess, and we prove that iterative inversion can steer the learning correctly, under rather strict conditions on the function. We apply iterative inversion to learn control. Our input is a set of demonstrations of desired behavior, given as video embeddings of trajectories (without actions), and our method iteratively learns to imitate trajectories generated by the current policy, perturbed by random exploration noise. Our approach does not require rewards, and only employs supervised learning, which can be easily scaled to use state-of-the-art trajectory embedding techniques and policy representations. Indeed, with a VQ-VAE embedding, and a transformer-based policy, we demonstrate non-trivial continuous control on several tasks. Further, we report an improved performance on imitating diverse behaviors compared to reward based methods.

While deep learning models have replaced hand-designed features across many domains, these models are still trained with hand-designed optimizers. In this work, we leverage the same scaling approach behind the success of deep learning to learn versatile optimizers. We train an optimizer for deep learning which is itself a small neural network that ingests gradients and outputs parameter updates. Meta-trained with approximately four thousand TPU-months of compute on a wide variety of optimization tasks, our optimizer not only exhibits compelling performance, but optimizes in interesting and unexpected ways. It requires no hyperparameter tuning, instead automatically adapting to the specifics of the problem being optimized. We open source our learned optimizer, meta-training code, the associated train and test data, and an extensive optimizer benchmark suite with baselines at velo-code.github.io.

Natural Language Processing (NLP) systems are increasingly taking the form of multi-stage pipelines involving multiple distinct language models (LMs) and prompting strategies. Here we address the question of how to fine-tune such systems to improve their performance. We cast this as a problem of optimizing the underlying LM weights and the prompting strategies together, and consider a challenging but highly realistic scenario in which we have no gold labels for any intermediate stages in the pipeline. To address this challenge, we evaluate approximate optimization strategies in which we bootstrap training labels for all pipeline stages and use these to optimize the pipeline's prompts and fine-tune its weights alternatingly. In experiments with multi-hop QA, mathematical reasoning, and feature-based classification, we find that simple approaches for optimizing the prompts and weights together outperform directly optimizing weights alone and prompts alone by up to 65% and 5%, respectively, on average across LMs and tasks. We will release our new optimizers in DSPy at http://dspy.ai

We propose a Distributional Approach for addressing Controlled Text Generation from pre-trained Language Models (LMs). This approach permits to specify, in a single formal framework, both "pointwise" and "distributional" constraints over the target LM -- to our knowledge, the first model with such generality -- while minimizing KL divergence from the initial LM distribution. The optimal target distribution is then uniquely determined as an explicit EBM (Energy-Based Model) representation. From that optimal representation we then train a target controlled Autoregressive LM through an adaptive distributional variant of Policy Gradient. We conduct a first set of experiments over pointwise constraints showing the advantages of our approach over a set of baselines, in terms of obtaining a controlled LM balancing constraint satisfaction with divergence from the initial LM. We then perform experiments over distributional constraints, a unique feature of our approach, demonstrating its potential as a remedy to the problem of Bias in Language Models. Through an ablation study, we show the effectiveness of our adaptive technique for obtaining faster convergence. (Code available at https://github.com/naver/gdc)

Modern machine learning requires system designers to specify aspects of the learning pipeline, such as losses, architectures, and optimizers. Meta-learning, or learning-to-learn, instead aims to learn those aspects, and promises to unlock greater capabilities with less manual effort. One particularly ambitious goal of meta-learning is to train general-purpose in-context learning algorithms from scratch, using only black-box models with minimal inductive bias. Such a model takes in training data, and produces test-set predictions across a wide range of problems, without any explicit definition of an inference model, training loss, or optimization algorithm. In this paper we show that Transformers and other black-box models can be meta-trained to act as general-purpose in-context learners. We characterize transitions between algorithms that generalize, algorithms that memorize, and algorithms that fail to meta-train at all, induced by changes in model size, number of tasks, and meta-optimization. We further show that the capabilities of meta-trained algorithms are bottlenecked by the accessible state size (memory) determining the next prediction, unlike standard models which are thought to be bottlenecked by parameter count. Finally, we propose practical interventions such as biasing the training distribution that improve the meta-training and meta-generalization of general-purpose in-context learning algorithms.

This study focuses on the topic of offline preference-based reinforcement learning (PbRL), a variant of conventional reinforcement learning that dispenses with the need for online interaction or specification of reward functions. Instead, the agent is provided with fixed offline trajectories and human preferences between pairs of trajectories to extract the dynamics and task information, respectively. Since the dynamics and task information are orthogonal, a naive approach would involve using preference-based reward learning followed by an off-the-shelf offline RL algorithm. However, this requires the separate learning of a scalar reward function, which is assumed to be an information bottleneck of the learning process. To address this issue, we propose the offline preference-guided policy optimization (OPPO) paradigm, which models offline trajectories and preferences in a one-step process, eliminating the need for separately learning a reward function. OPPO achieves this by introducing an offline hindsight information matching objective for optimizing a contextual policy and a preference modeling objective for finding the optimal context. OPPO further integrates a well-performing decision policy by optimizing the two objectives iteratively. Our empirical results demonstrate that OPPO effectively models offline preferences and outperforms prior competing baselines, including offline RL algorithms performed over either true or pseudo reward function specifications. Our code is available on the project website: https://sites.google.com/view/oppo-icml-2023 .

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.

Recent research explores optimization using large language models (LLMs) by either iteratively seeking next-step solutions from LLMs or directly prompting LLMs for an optimizer. However, these approaches exhibit inherent limitations, including low operational efficiency, high sensitivity to prompt design, and a lack of domain-specific knowledge. We introduce LLaMoCo, the first instruction-tuning framework designed to adapt LLMs for solving optimization problems in a code-to-code manner. Specifically, we establish a comprehensive instruction set containing well-described problem prompts and effective optimization codes. We then develop a novel two-phase learning strategy that incorporates a contrastive learning-based warm-up procedure before the instruction-tuning phase to enhance the convergence behavior during model fine-tuning. The experiment results demonstrate that a CodeGen (350M) model fine-tuned by our LLaMoCo achieves superior optimization performance compared to GPT-4 Turbo and the other competitors across both synthetic and realistic problem sets. The fine-tuned model and the usage instructions are available at https://anonymous.4open.science/r/LLaMoCo-722A.

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.

The goal of few-shot learning is to generalize and achieve high performance on new unseen learning tasks, where each task has only a limited number of examples available. Gradient-based meta-learning attempts to address this challenging task by learning how to learn new tasks by embedding inductive biases informed by prior learning experiences into the components of the learning algorithm. In this work, we build upon prior research and propose Neural Procedural Bias Meta-Learning (NPBML), a novel framework designed to meta-learn task-adaptive procedural biases. Our approach aims to consolidate recent advancements in meta-learned initializations, optimizers, and loss functions by learning them simultaneously and making them adapt to each individual task to maximize the strength of the learned inductive biases. This imbues each learning task with a unique set of procedural biases which is specifically designed and selected to attain strong learning performance in only a few gradient steps. The experimental results show that by meta-learning the procedural biases of a neural network, we can induce strong inductive biases towards a distribution of learning tasks, enabling robust learning performance across many well-established few-shot learning benchmarks.

Reinforcement learning from human feedback (RLHF) has been crucial in aligning large language models (LLMs) with human values. Traditionally, RLHF involves generating responses to a query and using a reward model to assign a reward to the entire response. However, this approach faces challenges due to its reliance on a single, sparse reward, which makes it challenging for the model to identify which parts of the sequence contribute most significantly to the final reward. Recent methods have attempted to address this limitation by introducing token-level rewards. However, these methods often rely on either a trained credit assignment model or AI annotators, raising concerns about the quality and reliability of the rewards. In this paper, we propose token-level reward regularization (T-REG), a novel approach that leverages both sequence-level and token-level rewards for preference optimization. Harnessing the self-refinement capabilities of LLMs, our method uses contrastive prompting to enable LLMs to self-generate token-level rewards. These self-generated rewards then act as reward regularization, guiding the model to more effectively distribute sequence-level rewards across tokens. This facilitates better token-level credit assignment and enhances alignment performance. Experiments on the instruction following benchmarks, including Alpaca Eval 2 and Arena-Hard, show that our method consistently outperforms baseline methods by up to 3.8% and 4.4%, respectively. We will release the code and models at https://github.com/wzhouad/T-REG.

We propose expanding the shared Transformer module to produce and initialize Transformers of varying depths, enabling adaptation to diverse resource constraints. Drawing an analogy to genetic expansibility, we term such module as learngene. To identify the expansion mechanism, we delve into the relationship between the layer's position and its corresponding weight value, and find that linear function appropriately approximates this relationship. Building on this insight, we present Transformer as Linear Expansion of learnGene (TLEG), a novel approach for flexibly producing and initializing Transformers of diverse depths. Specifically, to learn learngene, we firstly construct an auxiliary Transformer linearly expanded from learngene, after which we train it through employing soft distillation. Subsequently, we can produce and initialize Transformers of varying depths via linearly expanding the well-trained learngene, thereby supporting diverse downstream scenarios. Extensive experiments on ImageNet-1K demonstrate that TLEG achieves comparable or better performance in contrast to many individual models trained from scratch, while reducing around 2x training cost. When transferring to several downstream classification datasets, TLEG surpasses existing initialization methods by a large margin (e.g., +6.87% on iNat 2019 and +7.66% on CIFAR-100). Under the situation where we need to produce models of varying depths adapting for different resource constraints, TLEG achieves comparable results while reducing around 19x parameters stored to initialize these models and around 5x pre-training costs, in contrast to the pre-training and fine-tuning approach. When transferring a fixed set of parameters to initialize different models, TLEG presents better flexibility and competitive performance while reducing around 2.9x parameters stored to initialize, compared to the pre-training approach.

Feature visualization, also known as "dreaming", offers insights into vision models by optimizing the inputs to maximize a neuron's activation or other internal component. However, dreaming has not been successfully applied to language models because the input space is discrete. We extend Greedy Coordinate Gradient, a method from the language model adversarial attack literature, to design the Evolutionary Prompt Optimization (EPO) algorithm. EPO optimizes the input prompt to simultaneously maximize the Pareto frontier between a chosen internal feature and prompt fluency, enabling fluent dreaming for language models. We demonstrate dreaming with neurons, output logits and arbitrary directions in activation space. We measure the fluency of the resulting prompts and compare language model dreaming with max-activating dataset examples. Critically, fluent dreaming allows automatically exploring the behavior of model internals in reaction to mildly out-of-distribution prompts. Code for running EPO is available at https://github.com/Confirm-Solutions/dreamy. A companion page demonstrating code usage is at https://confirmlabs.org/posts/dreamy.html

Research on generative models to produce human-aligned / human-preferred outputs has seen significant recent contributions. Between text and image-generative models, we narrowed our focus to text-based generative models, particularly to produce captions for images that align with human preferences. In this research, we explored a potential method to amplify the performance of the Deep Neural Network Model to generate captions that are preferred by humans. This was achieved by integrating Supervised Learning and Reinforcement Learning with Human Feedback (RLHF) using the Flickr8k dataset. Also, a novel loss function that is capable of optimizing the model based on human feedback is introduced. In this paper, we provide a concise sketch of our approach and results, hoping to contribute to the ongoing advances in the field of human-aligned generative AI models.

Reinforcement Learning (RL) has been used to finetune Large Language Models (LLMs) using a reward model trained from preference data, to better align with human judgment. The recently introduced direct alignment methods, which are often simpler, more stable, and computationally lighter, can more directly achieve this. However, these approaches cannot optimize arbitrary rewards, and the preference-based ones are not the only rewards of interest for LLMs (eg., unit tests for code generation or textual entailment for summarization, among others). RL-finetuning is usually done with a variation of policy gradient, which calls for on-policy or near-on-policy samples, requiring costly generations. We introduce Contrastive Policy Gradient, or CoPG, a simple and mathematically principled new RL algorithm that can estimate the optimal policy even from off-policy data. It can be seen as an off-policy policy gradient approach that does not rely on important sampling techniques and highlights the importance of using (the right) state baseline. We show this approach to generalize the direct alignment method IPO (identity preference optimization) and classic policy gradient. We experiment with the proposed CoPG on a toy bandit problem to illustrate its properties, as well as for finetuning LLMs on a summarization task, using a learned reward function considered as ground truth for the purpose of the experiments.

Preference alignment in Large Language Models (LLMs) has significantly improved their ability to adhere to human instructions and intentions. However, existing direct alignment algorithms primarily focus on relative preferences and often overlook the qualitative aspects of responses. Striving to maximize the implicit reward gap between the chosen and the slightly inferior rejected responses can cause overfitting and unnecessary unlearning of the high-quality rejected responses. The unawareness of the reward scores also drives the LLM to indiscriminately favor the low-quality chosen responses and fail to generalize to responses with the highest rewards, which are sparse in data. To overcome these shortcomings, our study introduces reward-conditioned LLM policies that discern and learn from the entire spectrum of response quality within the dataset, helping extrapolate to more optimal regions. We propose an effective yet simple data relabeling method that conditions the preference pairs on quality scores to construct a reward-augmented dataset. This dataset is easily integrated with existing direct alignment algorithms and is applicable to any preference dataset. The experimental results across instruction-following benchmarks including AlpacaEval, MT-Bench, and Arena-Hard-Auto demonstrate that our approach consistently boosts the performance of DPO by a considerable margin across diverse models. Additionally, our method improves the average accuracy on various academic benchmarks. When applying our method to on-policy data, the resulting DPO model achieves SOTA results on AlpacaEval. Through ablation studies, we demonstrate that our method not only maximizes the utility of preference data but also mitigates the issue of unlearning, demonstrating its broad effectiveness beyond mere dataset expansion. Our code is available at https://github.com/shenao-zhang/reward-augmented-preference.

Abstract Language Models (LMs) achieve substantial language capabilities when finetuned using Reinforcement Learning with Human Feedback (RLHF). However, RLHF is an unstable and data-hungry process that continually requires new high-quality LM-generated data for finetuning. We introduce Advantage-Leftover Lunch RL (A-LoL), a new class of offline policy gradient algorithms that enable RL training on any pre-existing data. By assuming the entire LM output sequence as a single action, A-LoL allows incorporating sequence-level classifiers or human-designed scoring functions as rewards. Subsequently, by using LM's internal sequence-level value estimate, A-LoL filters negative advantage (low-quality) data points during training, making it resilient to noise. Overall, A-LoL is an easy-to-implement LM training recipe that is sample-efficient and stable. We demonstrate the effectiveness of A-LoL and its variants with a set of four different language generation tasks. We compare against both online RL (PPO) and recent preference-based (DPO, PRO) and reward-based (GOLD) offline RL baselines. On the commonly-used RLHF benchmark, Helpful and Harmless Assistant (HHA), LMs trained with A-LoL methods achieve the highest diversity while also being rated more safe and helpful than baselines according to humans. Additionally, in the remaining three tasks, A-LoL could optimize multiple distinct reward functions even when using noisy or suboptimal training data. We also release our experimental code. https://github.com/abaheti95/LoL-RL

In the post-training of large language models (LLMs), Reinforcement Learning from Human Feedback (RLHF) is an effective approach to achieve generation aligned with human preferences. Direct Preference Optimization (DPO) allows for policy training with a simple binary cross-entropy loss without a reward model. The objective of DPO is regularized by reverse KL divergence that encourages mode-seeking fitting to the reference policy. Nonetheless, we indicate that minimizing reverse KL divergence could fail to capture a mode of the reference distribution, which may hurt the policy's performance. Based on this observation, we propose a simple modification to DPO, H-DPO, which allows for control over the entropy of the resulting policy, enhancing the distribution's sharpness and thereby enabling mode-seeking fitting more effectively. In our experiments, we show that H-DPO outperformed DPO across various tasks, demonstrating superior results in pass@k evaluations for mathematical tasks. Moreover, H-DPO is simple to implement, requiring only minor modifications to the loss calculation of DPO, which makes it highly practical and promising for wide-ranging applications in the training of LLMs.

Iterative data generation and model retraining are widely used to align large language models (LLMs). It typically involves a policy model to generate on-policy responses and a reward model to guide training data selection. Direct Preference Optimization (DPO) further enhances this process by constructing preference pairs of chosen and rejected responses. In this work, we aim to scale up the number of on-policy samples via repeated random sampling to improve alignment performance. Conventional practice selects the sample with the highest reward as chosen and the lowest as rejected for DPO. However, our experiments reveal that this strategy leads to a decline in performance as the sample size increases. To address this, we investigate preference data construction through the lens of underlying normal distribution of sample rewards. We categorize the reward space into seven representative points and systematically explore all 21 (C_7^2) pairwise combinations. Through evaluations on four models using AlpacaEval 2, we find that selecting the rejected response at reward position mu - 2sigma rather than the minimum reward, is crucial for optimal performance. We finally introduce a scalable preference data construction strategy that consistently enhances model performance as the sample scale increases.

Aligning language models (LMs) with preferences is an important problem in natural language generation. A key challenge is that preferences are typically provided at the sequence level while LM training and generation both occur at the token level. There is, therefore, a granularity mismatch between the preference and the LM training losses, which may complicate the learning problem. In this paper, we address this issue by developing an alternate training process, where we iterate between grounding the sequence-level preference into token-level training guidance, and improving the LM with the learned guidance. For guidance learning, we design a framework that extends the pairwise-preference learning in imitation learning to both variable-length LM generation and utilizing the preference among multiple generations. For LM training, based on the amount of supervised data, we present two minimalist learning objectives that utilize the learned guidance. In experiments, our method performs competitively on two distinct representative LM tasks -- discrete-prompt generation and text summarization.

Labeling neural network submodules with human-legible descriptions is useful for many downstream tasks: such descriptions can surface failures, guide interventions, and perhaps even explain important model behaviors. To date, most mechanistic descriptions of trained networks have involved small models, narrowly delimited phenomena, and large amounts of human labor. Labeling all human-interpretable sub-computations in models of increasing size and complexity will almost certainly require tools that can generate and validate descriptions automatically. Recently, techniques that use learned models in-the-loop for labeling have begun to gain traction, but methods for evaluating their efficacy are limited and ad-hoc. How should we validate and compare open-ended labeling tools? This paper introduces FIND (Function INterpretation and Description), a benchmark suite for evaluating the building blocks of automated interpretability methods. FIND contains functions that resemble components of trained neural networks, and accompanying descriptions of the kind we seek to generate. The functions are procedurally constructed across textual and numeric domains, and involve a range of real-world complexities, including noise, composition, approximation, and bias. We evaluate new and existing methods that use language models (LMs) to produce code-based and language descriptions of function behavior. We find that an off-the-shelf LM augmented with only black-box access to functions can sometimes infer their structure, acting as a scientist by forming hypotheses, proposing experiments, and updating descriptions in light of new data. However, LM-based descriptions tend to capture global function behavior and miss local corruptions. These results show that FIND will be useful for characterizing the performance of more sophisticated interpretability methods before they are applied to real-world models.

Black box optimisation of an unknown function from expensive and noisy evaluations is a ubiquitous problem in machine learning, academic research and industrial production. An abstraction of the problem can be formulated as a kernel based bandit problem (also known as Bayesian optimisation), where a learner aims at optimising a kernelized function through sequential noisy observations. The existing work predominantly assumes feedback is immediately available; an assumption which fails in many real world situations, including recommendation systems, clinical trials and hyperparameter tuning. We consider a kernel bandit problem under stochastically delayed feedback, and propose an algorithm with mathcal{O}(Gamma_k(T)T+E[tau]) regret, where T is the number of time steps, Gamma_k(T) is the maximum information gain of the kernel with T observations, and tau is the delay random variable. This represents a significant improvement over the state of the art regret bound of mathcal{O}(Gamma_k(T)T+E[tau]Gamma_k(T)) reported in Verma et al. (2022). In particular, for very non-smooth kernels, the information gain grows almost linearly in time, trivializing the existing results. We also validate our theoretical results with simulations.

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.

Retrieval Augmented Generation (RAG) has proven to be highly effective in boosting the generative performance of language model in knowledge-intensive tasks. However, existing RAG framework either indiscriminately perform retrieval or rely on rigid single-class classifiers to select retrieval methods, leading to inefficiencies and suboptimal performance across queries of varying complexity. To address these challenges, we propose a reinforcement learning-based framework that dynamically selects the most suitable retrieval strategy based on query complexity. % our solution Our approach leverages a multi-armed bandit algorithm, which treats each retrieval method as a distinct ``arm'' and adapts the selection process by balancing exploration and exploitation. Additionally, we introduce a dynamic reward function that balances accuracy and efficiency, penalizing methods that require more retrieval steps, even if they lead to a correct result. Our method achieves new state of the art results on multiple single-hop and multi-hop datasets while reducing retrieval costs. Our code are available at https://github.com/FUTUREEEEEE/MBA .

Large Language Models (LLMs) are nowadays expected to generate content aligned with human preferences. Current work focuses on alignment at model training time, through techniques such as Reinforcement Learning with Human Feedback (RLHF). However, it is unclear if such methods are an effective choice to teach alignment objectives to the model. First, the inability to incorporate multiple, custom rewards and reliance on a model developer's view of universal and static principles are key limitations. Second, the residual gaps in model training and the reliability of such approaches are also questionable (e.g. susceptibility to jail-breaking even after safety training). To address these, we propose DeAL, a framework that allows the user to customize reward functions and enables Decoding-time Alignment of LLMs (DeAL). At its core, we view decoding as a heuristic-guided search process and facilitate the use of a wide variety of alignment objectives. Our experiments with programmatic constraints such as keyword and length constraints (studied widely in the pre-LLM era) and abstract objectives such as harmlessness and helpfulness (proposed in the post-LLM era) show that we can DeAL with fine-grained trade-offs, improve adherence to alignment objectives, and address residual gaps in LLMs. Lastly, while DeAL can be effectively paired with RLHF and prompting techniques, its generality makes decoding slower, an optimization we leave for future work.

Recent self-rewarding large language models (LLM) have successfully applied LLM-as-a-Judge to iteratively improve the alignment performance without the need of human annotations for preference data. These methods commonly utilize the same LLM to act as both the policy model (which generates responses) and the reward model (which scores and ranks those responses). The ranked responses are then used as preference pairs to train the LLM via direct alignment technologies (e.g. DPO). However, it is noteworthy that throughout this process, there is no guarantee of accuracy in the rewarding and ranking, which is critical for ensuring accurate rewards and high-quality preference data. Empirical results from relatively small LLMs (e.g., 7B parameters) also indicate that improvements from self-rewarding may diminish after several iterations in certain situations, which we hypothesize is due to accumulated bias in the reward system. This bias can lead to unreliable preference data for training the LLM. To address this issue, we first formulate and analyze the generalized iterative preference fine-tuning framework for self-rewarding language model. We then introduce the regularization to this generalized framework to mitigate the overconfident preference labeling in the self-rewarding process. Based on this theoretical insight, we propose a Consistency Regularized sElf-rewarding lAnguage Model (CREAM) that leverages the rewarding consistency across different iterations to regularize the self-rewarding training, helping the model to learn from more reliable preference data. With this explicit regularization, our empirical results demonstrate the superiority of CREAM in improving both reward consistency and alignment performance. The code is publicly available at https://github.com/Raibows/CREAM.

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.

Instruction tuning has been attracting much attention to achieve generalization ability across a wide variety of tasks. Although various types of instructions have been manually created for instruction tuning, it is still unclear what kind of instruction is optimal to obtain cross-task generalization ability. This work presents instruction optimization, which optimizes training instructions with respect to generalization ability. Rather than manually tuning instructions, we introduce learnable instructions and optimize them with gradient descent by leveraging bilevel optimization. Experimental results show that the learned instruction enhances the diversity of instructions and improves the generalization ability compared to using only manually created instructions.

Designing recommendation systems with limited or no available training data remains a challenge. To that end, a new combinatorial optimization problem is formulated to generate optimized item selection for experimentation with the goal to shorten the time for collecting randomized training data. We first present an overview of the optimized item selection problem and a multi-level optimization framework to solve it. The approach integrates techniques from discrete optimization, unsupervised clustering, and latent text embeddings. We then discuss how to incorporate optimized item selection with active learning as part of randomized exploration in an ongoing fashion.

Using reinforcement learning with human feedback (RLHF) has shown significant promise in fine-tuning diffusion models. Previous methods start by training a reward model that aligns with human preferences, then leverage RL techniques to fine-tune the underlying models. However, crafting an efficient reward model demands extensive datasets, optimal architecture, and manual hyperparameter tuning, making the process both time and cost-intensive. The direct preference optimization (DPO) method, effective in fine-tuning large language models, eliminates the necessity for a reward model. However, the extensive GPU memory requirement of the diffusion model's denoising process hinders the direct application of the DPO method. To address this issue, we introduce the Direct Preference for Denoising Diffusion Policy Optimization (D3PO) method to directly fine-tune diffusion models. The theoretical analysis demonstrates that although D3PO omits training a reward model, it effectively functions as the optimal reward model trained using human feedback data to guide the learning process. This approach requires no training of a reward model, proving to be more direct, cost-effective, and minimizing computational overhead. In experiments, our method uses the relative scale of objectives as a proxy for human preference, delivering comparable results to methods using ground-truth rewards. Moreover, D3PO demonstrates the ability to reduce image distortion rates and generate safer images, overcoming challenges lacking robust reward models.

The impressive capabilities of Large Language Models (LLMs) across diverse tasks are now well-established, yet their effective deployment necessitates careful hyperparameter optimization. Through extensive empirical studies involving grid searches across diverse configurations, we discover universal scaling laws governing these hyperparameters: optimal learning rate follows a power-law relationship with both model parameters and data sizes, while optimal batch size scales primarily with data sizes. Our analysis reveals a convex optimization landscape for hyperparameters under fixed models and data size conditions. This convexity implies an optimal hyperparameter plateau. We contribute a universal, plug-and-play optimal hyperparameter tool for the community. Its estimated values on the test set are merely 0.07\% away from the globally optimal LLM performance found via an exhaustive search. These laws demonstrate remarkable robustness across variations in model sparsity, training data distribution, and model shape. To our best known, this is the first work that unifies different model shapes and structures, such as Mixture-of-Experts models and dense transformers, as well as establishes optimal hyperparameter scaling laws across diverse data distributions. This exhaustive optimization process demands substantial computational resources, utilizing nearly one million NVIDIA H800 GPU hours to train 3,700 LLMs of varying sizes and hyperparameters from scratch and consuming approximately 100 trillion tokens in total. To facilitate reproducibility and further research, we will progressively release all loss measurements and model checkpoints through our designated repository https://step-law.github.io/

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.

Large language models (LLMs) face significant challenges stemming from the inherent limitations in knowledge, memory, alignment, and action. These challenges cannot be addressed by LLMs alone, but should rely on assistance from the external world, such as knowledge base, memory store, demonstration examples, and tools. Retrieval augmentation stands as a vital mechanism for bridging the gap between LLMs and the external assistance. However, conventional methods encounter two pressing issues. On one hand, the general-purpose retrievers are not properly optimized for the retrieval augmentation of LLMs. On the other hand, the task-specific retrievers lack the required versatility, hindering their performance across the diverse retrieval augmentation scenarios. In this work, we present a novel approach, the LLM Embedder, which comprehensively support the diverse needs of LLMs' retrieval augmentation with one unified embedding model. Training such an unified model is non-trivial, as various retrieval tasks aim to capture distinct semantic relationships, often subject to mutual interference. To address this challenge, we systematically optimize our training methodology. This includes reward formulation based on LLMs' feedback, the stabilization of knowledge distillation, multi-task fine-tuning with explicit instructions, and the use of homogeneous in-batch negative sampling. These optimization strategies contribute to the outstanding empirical performance of the LLM-Embedder. Notably, it yields remarkable enhancements in retrieval augmentation for LLMs, surpassing both general-purpose and task-specific retrievers in various evaluation scenarios. This project is made publicly available at https://github.com/FlagOpen/FlagEmbedding.

Radiologists play a crucial role by translating medical images into medical reports. However, the field faces staffing shortages and increasing workloads. While automated approaches using vision-language models (VLMs) show promise as assistants, they require exceptionally high accuracy. Most current VLMs in radiology rely solely on supervised fine-tuning (SFT). Meanwhile, in the general domain, additional preference fine-tuning has become standard practice. The challenge in radiology lies in the prohibitive cost of obtaining radiologist feedback. We propose a scalable automated preference alignment technique for VLMs in radiology, focusing on chest X-ray (CXR) report generation. Our method leverages publicly available datasets with an LLM-as-a-Judge mechanism, eliminating the need for additional expert radiologist feedback. We evaluate and benchmark five direct alignment algorithms (DAAs). Our results show up to a 57.4% improvement in average GREEN scores, a LLM-based metric for evaluating CXR reports, and a 9.2% increase in an average across six metrics (domain specific and general), compared to the SFT baseline. We study reward overoptimization via length exploitation, with reports lengthening by up to 3.2x. To assess a potential alignment tax, we benchmark on six additional diverse tasks, finding no significant degradations. A reader study involving four board-certified radiologists indicates win rates of up to 0.62 over the SFT baseline, while significantly penalizing verbosity. Our analysis provides actionable insights for the development of VLMs in high-stakes fields like radiology.

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.

Diffusion-based text-to-video (T2V) models have achieved significant success but continue to be hampered by the slow sampling speed of their iterative sampling processes. To address the challenge, consistency models have been proposed to facilitate fast inference, albeit at the cost of sample quality. In this work, we aim to break the quality bottleneck of a video consistency model (VCM) to achieve both fast and high-quality video generation. We introduce T2V-Turbo, which integrates feedback from a mixture of differentiable reward models into the consistency distillation (CD) process of a pre-trained T2V model. Notably, we directly optimize rewards associated with single-step generations that arise naturally from computing the CD loss, effectively bypassing the memory constraints imposed by backpropagating gradients through an iterative sampling process. Remarkably, the 4-step generations from our T2V-Turbo achieve the highest total score on VBench, even surpassing Gen-2 and Pika. We further conduct human evaluations to corroborate the results, validating that the 4-step generations from our T2V-Turbo are preferred over the 50-step DDIM samples from their teacher models, representing more than a tenfold acceleration while improving video generation quality.

Reinforcement learning (RL) has been widely used in text generation to alleviate the exposure bias issue or to utilize non-parallel datasets. The reward function plays an important role in making RL training successful. However, previous reward functions are typically task-specific and sparse, restricting the use of RL. In our work, we propose a task-agnostic approach that derives a step-wise reward function directly from a model trained with teacher forcing. We additionally propose a simple modification to stabilize the RL training on non-parallel datasets with our induced reward function. Empirical results show that our method outperforms self-training and reward regression methods on several text generation tasks, confirming the effectiveness of our reward function.

Despite recent advancements, most computational methods for molecule optimization are constrained to single- or double-property optimization tasks and suffer from poor scalability and generalizability to novel optimization tasks. Meanwhile, Large Language Models (LLMs) demonstrate remarkable out-of-domain generalizability to novel tasks. To demonstrate LLMs' potential for molecule optimization, we introduce MoMUInstruct, the first high-quality instruction-tuning dataset specifically focused on complex multi-property molecule optimization tasks. Leveraging MoMUInstruct, we develop GeLLM^3Os, a series of instruction-tuned LLMs for molecule optimization. Extensive evaluations across 5 in-domain and 5 out-of-domain tasks demonstrate that GeLLM^3Os consistently outperform state-of-the-art baselines. GeLLM^3Os also exhibit outstanding zero-shot generalization to unseen tasks, significantly outperforming powerful closed-source LLMs. Such strong generalizability demonstrates the tremendous potential of GeLLM^3Os as foundational models for molecule optimization, thereby tackling novel optimization tasks without resource-intensive retraining. MoMUInstruct, models, and code are accessible through https://github.com/ninglab/GeLLMO.

Direct Preference Optimization (DPO), which derives reward signals directly from pairwise preference data, has shown its effectiveness on aligning Large Language Models (LLMs) with human preferences. Despite its widespread use across various tasks, DPO has been criticized for its sensitivity to the SFT's effectiveness and its hindrance to the learning capacity towards human-preferred responses, leading to less satisfactory performance. To overcome those limitations, the theoretical understanding of DPO are indispensable but still lacking. To this end, we take a step towards theoretically analyzing and understanding the limitations of DPO. Specifically, we provide an analytical framework using the field theory to analyze the optimization process of DPO. By analyzing the gradient vector field of the DPO loss function, we find that the DPO loss function decreases the probability of producing human dispreferred data at a faster rate than it increases the probability of producing preferred data. This provides theoretical insights for understanding the limitations of DPO discovered in the related research experiments, thereby setting the foundation for its improvement.

Parameter regularization or allocation methods are effective in overcoming catastrophic forgetting in lifelong learning. However, they solve all tasks in a sequence uniformly and ignore the differences in the learning difficulty of different tasks. So parameter regularization methods face significant forgetting when learning a new task very different from learned tasks, and parameter allocation methods face unnecessary parameter overhead when learning simple tasks. In this paper, we propose the Parameter Allocation & Regularization (PAR), which adaptively select an appropriate strategy for each task from parameter allocation and regularization based on its learning difficulty. A task is easy for a model that has learned tasks related to it and vice versa. We propose a divergence estimation method based on the Nearest-Prototype distance to measure the task relatedness using only features of the new task. Moreover, we propose a time-efficient relatedness-aware sampling-based architecture search strategy to reduce the parameter overhead for allocation. Experimental results on multiple benchmarks demonstrate that, compared with SOTAs, our method is scalable and significantly reduces the model's redundancy while improving the model's performance. Further qualitative analysis indicates that PAR obtains reasonable task-relatedness.

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.

Large Language Models (LLMs) exhibit impressive capabilities but require careful alignment with human preferences. Traditional training-time methods finetune LLMs using human preference datasets but incur significant training costs and require repeated training to handle diverse user preferences. Test-time alignment methods address this by using reward models (RMs) to guide frozen LLMs without retraining. However, existing test-time approaches rely on trajectory-level RMs which are designed to evaluate complete responses, making them unsuitable for autoregressive text generation that requires computing next-token rewards from partial responses. To address this, we introduce GenARM, a test-time alignment approach that leverages the Autoregressive Reward Model--a novel reward parametrization designed to predict next-token rewards for efficient and effective autoregressive generation. Theoretically, we demonstrate that this parametrization can provably guide frozen LLMs toward any distribution achievable by traditional RMs within the KL-regularized reinforcement learning framework. Experimental results show that GenARM significantly outperforms prior test-time alignment baselines and matches the performance of training-time methods. Additionally, GenARM enables efficient weak-to-strong guidance, aligning larger LLMs with smaller RMs without the high costs of training larger models. Furthermore, GenARM supports multi-objective alignment, allowing real-time trade-offs between preference dimensions and catering to diverse user preferences without retraining.

Quite surprisingly, exact maximum a posteriori (MAP) decoding of neural language generators frequently leads to low-quality results. Rather, most state-of-the-art results on language generation tasks are attained using beam search despite its overwhelmingly high search error rate. This implies that the MAP objective alone does not express the properties we desire in text, which merits the question: if beam search is the answer, what was the question? We frame beam search as the exact solution to a different decoding objective in order to gain insights into why high probability under a model alone may not indicate adequacy. We find that beam search enforces uniform information density in text, a property motivated by cognitive science. We suggest a set of decoding objectives that explicitly enforce this property and find that exact decoding with these objectives alleviates the problems encountered when decoding poorly calibrated language generation models. Additionally, we analyze the text produced using various decoding strategies and see that, in our neural machine translation experiments, the extent to which this property is adhered to strongly correlates with BLEU.

Aligning language models with preferences can be posed as approximating a target distribution representing some desired behavior. Existing approaches differ both in the functional form of the target distribution and the algorithm used to approximate it. For instance, Reinforcement Learning from Human Feedback (RLHF) corresponds to minimizing a reverse KL from an implicit target distribution arising from a KL penalty in the objective. On the other hand, Generative Distributional Control (GDC) has an explicit target distribution and minimizes a forward KL from it using the Distributional Policy Gradient (DPG) algorithm. In this paper, we propose a new approach, f-DPG, which allows the use of any f-divergence to approximate any target distribution that can be evaluated. f-DPG unifies both frameworks (RLHF, GDC) and the approximation methods (DPG, RL with KL penalties). We show the practical benefits of various choices of divergence objectives and demonstrate that there is no universally optimal objective but that different divergences present different alignment and diversity trade-offs. We show that Jensen-Shannon divergence strikes a good balance between these objectives, and frequently outperforms forward KL divergence by a wide margin, leading to significant improvements over prior work. These distinguishing characteristics between divergences persist as the model size increases, highlighting the importance of selecting appropriate divergence objectives.

Reinforcement learning from human feedback (RLHF) has demonstrated great promise in aligning large language models (LLMs) with human preference. Depending on the availability of preference data, both online and offline RLHF are active areas of investigation. A key bottleneck is understanding how to incorporate uncertainty estimation in the reward function learned from the preference data for RLHF, regardless of how the preference data is collected. While the principles of optimism or pessimism under uncertainty are well-established in standard reinforcement learning (RL), a practically-implementable and theoretically-grounded form amenable to large language models is not yet available, as standard techniques for constructing confidence intervals become intractable under arbitrary policy parameterizations. In this paper, we introduce a unified approach to online and offline RLHF -- value-incentivized preference optimization (VPO) -- which regularizes the maximum-likelihood estimate of the reward function with the corresponding value function, modulated by a sign to indicate whether the optimism or pessimism is chosen. VPO also directly optimizes the policy with implicit reward modeling, and therefore shares a simpler RLHF pipeline similar to direct preference optimization. Theoretical guarantees of VPO are provided for both online and offline settings, matching the rates of their standard RL counterparts. Moreover, experiments on text summarization and dialog verify the practicality and effectiveness of VPO.

Large language models (LLMs) have shown impressive capabilities in real-world applications. The capability of in-context learning (ICL) allows us to adapt an LLM to downstream tasks by including input-label exemplars in the prompt without model fine-tuning. However, the quality of these exemplars in the prompt greatly impacts performance, highlighting the need for an effective automated exemplar selection method. Recent studies have explored retrieval-based approaches to select exemplars tailored to individual test queries, which can be undesirable due to extra test-time computation and an increased risk of data exposure. Moreover, existing methods fail to adequately account for the impact of exemplar ordering on the performance. On the other hand, the impact of the instruction, another essential component in the prompt given to the LLM, is often overlooked in existing exemplar selection methods. To address these challenges, we propose a novel method named EASE, which leverages the hidden embedding from a pre-trained language model to represent ordered sets of exemplars and uses a neural bandit algorithm to optimize the sets of exemplars while accounting for exemplar ordering. Our EASE can efficiently find an ordered set of exemplars that performs well for all test queries from a given task, thereby eliminating test-time computation. Importantly, EASE can be readily extended to jointly optimize both the exemplars and the instruction. Through extensive empirical evaluations (including novel tasks), we demonstrate the superiority of EASE over existing methods, and reveal practical insights about the impact of exemplar selection on ICL, which may be of independent interest. Our code is available at https://github.com/ZhaoxuanWu/EASE-Prompt-Optimization.

Diffusion models excel at capturing the natural design spaces of images, molecules, DNA, RNA, and protein sequences. However, rather than merely generating designs that are natural, we often aim to optimize downstream reward functions while preserving the naturalness of these design spaces. Existing methods for achieving this goal often require ``differentiable'' proxy models (e.g., classifier guidance or DPS) or involve computationally expensive fine-tuning of diffusion models (e.g., classifier-free guidance, RL-based fine-tuning). In our work, we propose a new method to address these challenges. Our algorithm is an iterative sampling method that integrates soft value functions, which looks ahead to how intermediate noisy states lead to high rewards in the future, into the standard inference procedure of pre-trained diffusion models. Notably, our approach avoids fine-tuning generative models and eliminates the need to construct differentiable models. This enables us to (1) directly utilize non-differentiable features/reward feedback, commonly used in many scientific domains, and (2) apply our method to recent discrete diffusion models in a principled way. Finally, we demonstrate the effectiveness of our algorithm across several domains, including image generation, molecule generation, and DNA/RNA sequence generation. The code is available at https://github.com/masa-ue/SVDD{https://github.com/masa-ue/SVDD}.

The performance of many machine learning models depends on their hyper-parameter settings. Bayesian Optimization has become a successful tool for hyper-parameter optimization of machine learning algorithms, which aims to identify optimal hyper-parameters during an iterative sequential process. However, most of the Bayesian Optimization algorithms are designed to select models for effectiveness only and ignore the important issue of model training efficiency. Given that both model effectiveness and training time are important for real-world applications, models selected for effectiveness may not meet the strict training time requirements necessary to deploy in a production environment. In this work, we present a unified Bayesian Optimization framework for jointly optimizing models for both prediction effectiveness and training efficiency. We propose an objective that captures the tradeoff between these two metrics and demonstrate how we can jointly optimize them in a principled Bayesian Optimization framework. Experiments on model selection for recommendation tasks indicate models selected this way significantly improves model training efficiency while maintaining strong effectiveness as compared to state-of-the-art Bayesian Optimization algorithms.

We present Direct Reward Fine-Tuning (DRaFT), a simple and effective method for fine-tuning diffusion models to maximize differentiable reward functions, such as scores from human preference models. We first show that it is possible to backpropagate the reward function gradient through the full sampling procedure, and that doing so achieves strong performance on a variety of rewards, outperforming reinforcement learning-based approaches. We then propose more efficient variants of DRaFT: DRaFT-K, which truncates backpropagation to only the last K steps of sampling, and DRaFT-LV, which obtains lower-variance gradient estimates for the case when K=1. We show that our methods work well for a variety of reward functions and can be used to substantially improve the aesthetic quality of images generated by Stable Diffusion 1.4. Finally, we draw connections between our approach and prior work, providing a unifying perspective on the design space of gradient-based fine-tuning algorithms.

Different from its counterpart outcome reward models (ORMs), which evaluate the entire responses, a process reward model (PRM) scores a reasoning trajectory step by step, providing denser and more fine grained rewards. However, training a PRM requires labels annotated at every intermediate step, presenting significant challenges for both manual and automatic data collection. This paper aims to address this challenge. Both theoretically and empirically, we show that an implicit PRM can be obtained at no additional cost, by simply training an ORM on the cheaper response-level labels. The only assumption is to parameterize the outcome reward as the log-likelihood ratios of the policy and reference models, which can be optimized regardless of the specific choice of loss objectives. In experiments, we instantiate our implicit PRMs with various objectives and evaluate their performance on MATH. We show that our implicit PRM outperforms a strong MCTS-based baseline \'a la Math-Shepherd using less than 1/38 of the training data. Its performance can be further improved with majority voting. We further find that scaling up instructions and responses benefits our implicit PRM, and the latter brings a larger gain. Particularly, we find that our implicit PRM, when instantiated with the cross-entropy (CE) loss, is more data-efficient and can keep improving generation models even when trained with only one response per instruction, the setup that suffers from extreme data scarcity and imbalance. Further, instructions should be relevant to downstream tasks while the diversity of responses does not bring gains. Surprisingly, training on extra Math-Shepherd step labels brings no further improvements to our implicit PRM trained on only outcome data. We hope that our work will encourage a rethinking of PRM training approaches and contribute to making training PRMs more accessible.

This work proposes a procedure for designing algorithms for specific adaptive data collection tasks like active learning and pure-exploration multi-armed bandits. Unlike the design of traditional adaptive algorithms that rely on concentration of measure and careful analysis to justify the correctness and sample complexity of the procedure, our adaptive algorithm is learned via adversarial training over equivalence classes of problems derived from information theoretic lower bounds. In particular, a single adaptive learning algorithm is learned that competes with the best adaptive algorithm learned for each equivalence class. Our procedure takes as input just the available queries, set of hypotheses, loss function, and total query budget. This is in contrast to existing meta-learning work that learns an adaptive algorithm relative to an explicit, user-defined subset or prior distribution over problems which can be challenging to define and be mismatched to the instance encountered at test time. This work is particularly focused on the regime when the total query budget is very small, such as a few dozen, which is much smaller than those budgets typically considered by theoretically derived algorithms. We perform synthetic experiments to justify the stability and effectiveness of the training procedure, and then evaluate the method on tasks derived from real data including a noisy 20 Questions game and a joke recommendation task.

Retrieval augmentation can aid language models (LMs) in knowledge-intensive tasks by supplying them with external information. Prior works on retrieval augmentation usually jointly fine-tune the retriever and the LM, making them closely coupled. In this paper, we explore the scheme of generic retrieval plug-in: the retriever is to assist target LMs that may not be known beforehand or are unable to be fine-tuned together. To retrieve useful documents for unseen target LMs, we propose augmentation-adapted retriever (AAR), which learns LM's preferences obtained from a known source LM. Experiments on the MMLU and PopQA datasets demonstrate that our AAR trained with a small source LM is able to significantly improve the zero-shot generalization of larger target LMs ranging from 250M Flan-T5 to 175B InstructGPT. Further analysis indicates that the preferences of different LMs overlap, enabling AAR trained with a single source LM to serve as a generic plug-in for various target LMs. Our code is open-sourced at https://github.com/OpenMatch/Augmentation-Adapted-Retriever.

Toward combining inductive reasoning with perception abilities, we develop techniques for neurosymbolic program synthesis where perceptual input is first parsed by neural nets into a low-dimensional interpretable representation, which is then processed by a synthesized program. We explore several techniques for relaxing the problem and jointly learning all modules end-to-end with gradient descent: multitask learning; amortized inference; overparameterization; and a differentiable strategy for penalizing lengthy programs. Collectedly this toolbox improves the stability of gradient-guided program search, and suggests ways of learning both how to perceive input as discrete abstractions, and how to symbolically process those abstractions as programs.

Optimization is ubiquitous. While derivative-based algorithms have been powerful tools for various problems, the absence of gradient imposes challenges on many real-world applications. In this work, we propose Optimization by PROmpting (OPRO), a simple and effective approach to leverage large language models (LLMs) as optimizers, where the optimization task is described in natural language. In each optimization step, the LLM generates new solutions from the prompt that contains previously generated solutions with their values, then the new solutions are evaluated and added to the prompt for the next optimization step. We first showcase OPRO on linear regression and traveling salesman problems, then move on to prompt optimization where the goal is to find instructions that maximize the task accuracy. With a variety of LLMs, we demonstrate that the best prompts optimized by OPRO outperform human-designed prompts by up to 8% on GSM8K, and by up to 50% on Big-Bench Hard tasks.

Text-to-video models have made remarkable advancements through optimization on high-quality text-video pairs, where the textual prompts play a pivotal role in determining quality of output videos. However, achieving the desired output often entails multiple revisions and iterative inference to refine user-provided prompts. Current automatic methods for refining prompts encounter challenges such as Modality-Inconsistency, Cost-Discrepancy, and Model-Unaware when applied to text-to-video diffusion models. To address these problem, we introduce an LLM-based prompt adaptation framework, termed as Prompt-A-Video, which excels in crafting Video-Centric, Labor-Free and Preference-Aligned prompts tailored to specific video diffusion model. Our approach involves a meticulously crafted two-stage optimization and alignment system. Initially, we conduct a reward-guided prompt evolution pipeline to automatically create optimal prompts pool and leverage them for supervised fine-tuning (SFT) of the LLM. Then multi-dimensional rewards are employed to generate pairwise data for the SFT model, followed by the direct preference optimization (DPO) algorithm to further facilitate preference alignment. Through extensive experimentation and comparative analyses, we validate the effectiveness of Prompt-A-Video across diverse generation models, highlighting its potential to push the boundaries of video generation.

Model-based reinforcement learning (MBRL) is a sample efficient technique to obtain control policies, yet unavoidable modeling errors often lead performance deterioration. The model in MBRL is often solely fitted to reconstruct dynamics, state observations in particular, while the impact of model error on the policy is not captured by the training objective. This leads to a mismatch between the intended goal of MBRL, enabling good policy and value learning, and the target of the loss function employed in practice, future state prediction. Naive intuition would suggest that value-aware model learning would fix this problem and, indeed, several solutions to this objective mismatch problem have been proposed based on theoretical analysis. However, they tend to be inferior in practice to commonly used maximum likelihood (MLE) based approaches. In this paper we propose the Value-gradient weighted Model Learning (VaGraM), a novel method for value-aware model learning which improves the performance of MBRL in challenging settings, such as small model capacity and the presence of distracting state dimensions. We analyze both MLE and value-aware approaches and demonstrate how they fail to account for exploration and the behavior of function approximation when learning value-aware models and highlight the additional goals that must be met to stabilize optimization in the deep learning setting. We verify our analysis by showing that our loss function is able to achieve high returns on the Mujoco benchmark suite while being more robust than maximum likelihood based approaches.

Recent work in language modeling has raised the possibility of self-improvement, where a language models evaluates and refines its own generations to achieve higher performance without external feedback. It is impossible for this self-improvement to create information that is not already in the model, so why should we expect that this will lead to improved capabilities? We offer a new perspective on the capabilities of self-improvement through a lens we refer to as sharpening. Motivated by the observation that language models are often better at verifying response quality than they are at generating correct responses, we formalize self-improvement as using the model itself as a verifier during post-training in order to ``sharpen'' the model to one placing large mass on high-quality sequences, thereby amortizing the expensive inference-time computation of generating good sequences. We begin by introducing a new statistical framework for sharpening in which the learner aims to sharpen a pre-trained base policy via sample access, and establish fundamental limits. Then we analyze two natural families of self-improvement algorithms based on SFT and RLHF. We find that (i) the SFT-based approach is minimax optimal whenever the initial model has sufficient coverage, but (ii) the RLHF-based approach can improve over SFT-based self-improvement by leveraging online exploration, bypassing the need for coverage. Finally, we empirically validate the sharpening mechanism via inference-time and amortization experiments. We view these findings as a starting point toward a foundational understanding that can guide the design and evaluation of self-improvement algorithms.

Reinforcement Learning from Human Feedback (RLHF) has been a crucial component in the recent success of Large Language Models. However, RLHF is know to exploit biases in human preferences, such as verbosity. A well-formatted and eloquent answer is often more highly rated by users, even when it is less helpful and objective. A number of approaches have been developed to control those biases in the classical RLHF literature, but the problem remains relatively under-explored for Direct Alignment Algorithms such as Direct Preference Optimization (DPO). Unlike classical RLHF, DPO does not train a separate reward model or use reinforcement learning directly, so previous approaches developed to control verbosity cannot be directly applied to this setting. Our work makes several contributions. For the first time, we study the length problem in the DPO setting, showing significant exploitation in DPO and linking it to out-of-distribution bootstrapping. We then develop a principled but simple regularization strategy that prevents length exploitation, while still maintaining improvements in model quality. We demonstrate these effects across datasets on summarization and dialogue, where we achieve up to 20\% improvement in win rates when controlling for length, despite the GPT4 judge's well-known verbosity bias.

Supervised Fine-Tuning (SFT) and Reinforcement Learning from Human Feedback (RLHF) are two fundamental processes for enhancing the capabilities of Language Models (LMs) post pre-training, aligning them better with human preferences. Although SFT advances in training efficiency, RLHF delivers better alignment, thus they are often combined. However, common practices simply apply them sequentially without unifying their optimization targets, resulting in a trade-off between fitting different objectives, and ignoring the opportunities to bridge the paradigm gap and take the strength from both. To obtain a unified understanding, we interpret SFT and RLHF using two sub-processes -- Preference Estimation and Transition Optimization -- defined at token level within the Markov Decision Process (MDP) framework. This modeling shows that SFT is only a specialized case of RLHF with inferior estimation and optimization. RLHF evaluates the quality of model's entire generated answer, whereas SFT only scores predicted tokens based on preceding tokens from target answers. Therefore, SFT overestimates the ability of model, leading to inferior optimization. Building on this view, we introduce Intuitive Fine-tuning (IFT) to integrate SFT and RLHF into a single process. IFT captures LMs' intuitive sense of the entire answers through a temporal residual connection, while using a single policy and the same volume of non-preference-labeled data as SFT. Our experiments show that IFT performs comparably or even superiorly to sequential recipes of SFT and some typical alignment methods across several tasks, particularly those requires generation, reasoning, and fact-following abilities. An explainable Frozen Lake game further validates the effectiveness of IFT.

Alignment with human preference is a desired property of large language models (LLMs). Currently, the main alignment approach is based on reinforcement learning from human feedback (RLHF). Despite the effectiveness of RLHF, it is intricate to implement and train, thus recent studies explore how to develop alternative alignment approaches based on supervised fine-tuning (SFT). A major limitation of SFT is that it essentially does imitation learning, which cannot fully understand what are the expected behaviors. To address this issue, we propose an improved alignment approach named FIGA. Different from prior methods, we incorporate fine-grained (i.e., token or phrase level) quality signals that are derived by contrasting good and bad responses. Our approach has made two major contributions. Firstly, we curate a refined alignment dataset that pairs initial responses and the corresponding revised ones. Secondly, we devise a new loss function can leverage fine-grained quality signals to instruct the learning of LLMs for alignment. Extensive experiments have demonstrated the effectiveness of our approaches by comparing a number of competitive baselines.

Large Language Model (LLM) based multi-agent systems (MAS) show remarkable potential in collaborative problem-solving, yet they still face critical challenges: low communication efficiency, poor scalability, and a lack of effective parameter-updating optimization methods. We present Optima, a novel framework that addresses these issues by significantly enhancing both communication efficiency and task effectiveness in LLM-based MAS through LLM training. Optima employs an iterative generate, rank, select, and train paradigm with a reward function balancing task performance, token efficiency, and communication readability. We explore various RL algorithms, including Supervised Fine-Tuning, Direct Preference Optimization, and their hybrid approaches, providing insights into their effectiveness-efficiency trade-offs. We integrate Monte Carlo Tree Search-inspired techniques for DPO data generation, treating conversation turns as tree nodes to explore diverse interaction paths. Evaluated on common multi-agent tasks, including information-asymmetric question answering and complex reasoning, Optima shows consistent and substantial improvements over single-agent baselines and vanilla MAS based on Llama 3 8B, achieving up to 2.8x performance gain with less than 10\% tokens on tasks requiring heavy information exchange. Moreover, Optima's efficiency gains open new possibilities for leveraging inference-compute more effectively, leading to improved inference-time scaling laws. By addressing fundamental challenges in LLM-based MAS, Optima shows the potential towards scalable, efficient, and effective MAS (https://chenweize1998.github.io/optima-project-page).

Reinforcement learning from human feedback (RLHF) has emerged as the main paradigm for aligning large language models (LLMs) with human preferences. Typically, RLHF involves the initial step of learning a reward model from human feedback, often expressed as preferences between pairs of text generations produced by a pre-trained LLM. Subsequently, the LLM's policy is fine-tuned by optimizing it to maximize the reward model through a reinforcement learning algorithm. However, an inherent limitation of current reward models is their inability to fully represent the richness of human preferences and their dependency on the sampling distribution. In this study, we introduce an alternative pipeline for the fine-tuning of LLMs using pairwise human feedback. Our approach entails the initial learning of a preference model, which is conditioned on two inputs given a prompt, followed by the pursuit of a policy that consistently generates responses preferred over those generated by any competing policy, thus defining the Nash equilibrium of this preference model. We term this approach Nash learning from human feedback (NLHF). In the context of a tabular policy representation, we present a novel algorithmic solution, Nash-MD, founded on the principles of mirror descent. This algorithm produces a sequence of policies, with the last iteration converging to the regularized Nash equilibrium. Additionally, we explore parametric representations of policies and introduce gradient descent algorithms for deep-learning architectures. To demonstrate the effectiveness of our approach, we present experimental results involving the fine-tuning of a LLM for a text summarization task. We believe NLHF offers a compelling avenue for preference learning and policy optimization with the potential of advancing the field of aligning LLMs with human preferences.

Machine learning models are often tuned by nesting optimization of model weights inside the optimization of hyperparameters. We give a method to collapse this nested optimization into joint stochastic optimization of weights and hyperparameters. Our process trains a neural network to output approximately optimal weights as a function of hyperparameters. We show that our technique converges to locally optimal weights and hyperparameters for sufficiently large hypernetworks. We compare this method to standard hyperparameter optimization strategies and demonstrate its effectiveness for tuning thousands of hyperparameters.

Fine-tuning large language models (LLMs) on human preferences, typically through reinforcement learning from human feedback (RLHF), has proven successful in enhancing their capabilities. However, ensuring the safety of LLMs during the fine-tuning remains a critical concern, and mitigating the potential conflicts in safety and helpfulness is costly in RLHF. To address this issue, we propose a supervised learning framework called Bi-Factorial Preference Optimization (BFPO), which re-parameterizes a joint RLHF objective of both safety and helpfulness into a single supervised learning objective. In the supervised optimization, a labeling function is used to capture global preferences ranking to balance both safety and helpfulness. To evaluate BFPO, we develop a benchmark including comprehensive discriminative and generative tasks for helpfulness and harmlessness. The results indicate that our method significantly outperforms existing approaches in both safety and helpfulness. Moreover, BFPO eliminates the need for human prompting and annotation in LLM fine-tuning while achieving the same level of safety as methods that heavily rely on human labor, with less than 10% of the computational resources. The training recipes and models will be released.

The learning rate warmup heuristic achieves remarkable success in stabilizing training, accelerating convergence and improving generalization for adaptive stochastic optimization algorithms like RMSprop and Adam. Here, we study its mechanism in details. Pursuing the theory behind warmup, we identify a problem of the adaptive learning rate (i.e., it has problematically large variance in the early stage), suggest warmup works as a variance reduction technique, and provide both empirical and theoretical evidence to verify our hypothesis. We further propose RAdam, a new variant of Adam, by introducing a term to rectify the variance of the adaptive learning rate. Extensive experimental results on image classification, language modeling, and neural machine translation verify our intuition and demonstrate the effectiveness and robustness of our proposed method. All implementations are available at: https://github.com/LiyuanLucasLiu/RAdam.

Deep Generative AI has been a long-standing essential topic in the machine learning community, which can impact a number of application areas like text generation and computer vision. The major paradigm to train a generative model is maximum likelihood estimation, which pushes the learner to capture and approximate the target data distribution by decreasing the divergence between the model distribution and the target distribution. This formulation successfully establishes the objective of generative tasks, while it is incapable of satisfying all the requirements that a user might expect from a generative model. Reinforcement learning, serving as a competitive option to inject new training signals by creating new objectives that exploit novel signals, has demonstrated its power and flexibility to incorporate human inductive bias from multiple angles, such as adversarial learning, hand-designed rules and learned reward model to build a performant model. Thereby, reinforcement learning has become a trending research field and has stretched the limits of generative AI in both model design and application. It is reasonable to summarize and conclude advances in recent years with a comprehensive review. Although there are surveys in different application areas recently, this survey aims to shed light on a high-level review that spans a range of application areas. We provide a rigorous taxonomy in this area and make sufficient coverage on various models and applications. Notably, we also surveyed the fast-developing large language model area. We conclude this survey by showing the potential directions that might tackle the limit of current models and expand the frontiers for generative AI.

Can we pre-train a generalist agent from a large amount of unlabeled offline trajectories such that it can be immediately adapted to any new downstream tasks in a zero-shot manner? In this work, we present a functional reward encoding (FRE) as a general, scalable solution to this zero-shot RL problem. Our main idea is to learn functional representations of any arbitrary tasks by encoding their state-reward samples using a transformer-based variational auto-encoder. This functional encoding not only enables the pre-training of an agent from a wide diversity of general unsupervised reward functions, but also provides a way to solve any new downstream tasks in a zero-shot manner, given a small number of reward-annotated samples. We empirically show that FRE agents trained on diverse random unsupervised reward functions can generalize to solve novel tasks in a range of simulated robotic benchmarks, often outperforming previous zero-shot RL and offline RL methods. Code for this project is provided at: https://github.com/kvfrans/fre

Reinforcement learning from human feedback (RLHF) has emerged as the primary method for aligning large language models (LLMs) with human preferences. While it enables LLMs to achieve human-level alignment, it often incurs significant computational and financial costs due to its reliance on training external reward models or human-labeled preferences. In this work, we propose Implicit Preference Optimization (IPO), an alternative approach that leverages generative LLMs as preference classifiers, thereby reducing the dependence on external human feedback or reward models to obtain preferences. We conduct a comprehensive evaluation on the preference classification ability of LLMs using RewardBench, assessing models across different sizes, architectures, and training levels to validate our hypothesis. Furthermore, we investigate the self-improvement capabilities of LLMs by generating multiple responses for a given instruction and employing the model itself as a preference classifier for Direct Preference Optimization (DPO)-based training. Our findings demonstrate that models trained through IPO achieve performance comparable to those utilizing state-of-the-art reward models for obtaining preferences.

Aligning large language models with human objectives is paramount, yet common approaches including RLHF suffer from unstable and resource-intensive training. In response to this challenge, we introduce ARGS, Alignment as Reward-Guided Search, a novel framework that integrates alignment into the decoding process, eliminating the need for expensive RL training. By adjusting the model's probabilistic predictions using a reward signal, ARGS generates texts with semantic diversity while being aligned with human preferences, offering a promising and flexible solution for aligning language models. Notably, ARGS demonstrates consistent enhancements in average reward compared to baselines across diverse alignment tasks and various model dimensions. For example, under the same greedy-based decoding strategy, our method improves the average reward by 19.56% relative to the baseline and secures a preference or tie score of 64.33% in GPT-4 evaluation. We believe that our framework, emphasizing decoding-time alignment, paves the way for more responsive language models in the future. Code is publicly available at: https://github.com/deeplearning-wisc/args.

Optimization is a ubiquitous modeling tool and is often deployed in settings which repeatedly solve similar instances of the same problem. Amortized optimization methods use learning to predict the solutions to problems in these settings, exploiting the shared structure between similar problem instances. These methods have been crucial in variational inference and reinforcement learning and are capable of solving optimization problems many orders of magnitudes times faster than traditional optimization methods that do not use amortization. This tutorial presents an introduction to the amortized optimization foundations behind these advancements and overviews their applications in variational inference, sparse coding, gradient-based meta-learning, control, reinforcement learning, convex optimization, optimal transport, and deep equilibrium networks. The source code for this tutorial is available at https://github.com/facebookresearch/amortized-optimization-tutorial.

Reward design in reinforcement learning (RL) is challenging since specifying human notions of desired behavior may be difficult via reward functions or require many expert demonstrations. Can we instead cheaply design rewards using a natural language interface? This paper explores how to simplify reward design by prompting a large language model (LLM) such as GPT-3 as a proxy reward function, where the user provides a textual prompt containing a few examples (few-shot) or a description (zero-shot) of the desired behavior. Our approach leverages this proxy reward function in an RL framework. Specifically, users specify a prompt once at the beginning of training. During training, the LLM evaluates an RL agent's behavior against the desired behavior described by the prompt and outputs a corresponding reward signal. The RL agent then uses this reward to update its behavior. We evaluate whether our approach can train agents aligned with user objectives in the Ultimatum Game, matrix games, and the DealOrNoDeal negotiation task. In all three tasks, we show that RL agents trained with our framework are well-aligned with the user's objectives and outperform RL agents trained with reward functions learned via supervised learning

Aligning large language models (LLMs) with human preferences is essential for safe and useful LLMs. Previous works mainly adopt reinforcement learning (RLHF) and direct preference optimization (DPO) with human feedback for alignment. Nevertheless, they have certain drawbacks. One such limitation is that they can only align models with one preference at the training time (e.g., they cannot learn to generate concise responses when the preference data prefers detailed responses), or have certain constraints for the data format (e.g., DPO only supports pairwise preference data). To this end, prior works incorporate controllable generations for alignment to make language models learn multiple preferences and provide outputs with different preferences during inference if asked. Controllable generation also offers more flexibility with regard to data format (e.g., it supports pointwise preference data). Specifically, it uses different control tokens for different preferences during training and inference, making LLMs behave differently when required. Current controllable generation methods either use a special token or hand-crafted prompts as control tokens, and optimize them together with LLMs. As control tokens are typically much lighter than LLMs, this optimization strategy may not effectively optimize control tokens. To this end, we first use parameter-efficient tuning (e.g., prompting tuning and low-rank adaptation) to optimize control tokens and then fine-tune models for controllable generations, similar to prior works. Our approach, alignMEnt with parameter-Efficient Tuning (MEET), improves the quality of control tokens, thus improving controllable generation quality consistently by an apparent margin on two well-recognized datasets compared with prior works.

Reinforcement Learning from Human Feedback (RLHF) has been commonly used to align the behaviors of Large Language Models (LLMs) with human preferences. Recently, a popular alternative is Direct Policy Optimization (DPO), which replaces an LLM-based reward model with the policy itself, thus obviating the need for extra memory and training time to learn the reward model. However, DPO does not consider the relative qualities of the positive and negative responses, and can lead to sub-optimal training outcomes. To alleviate this problem, we investigate the use of intrinsic knowledge within the on-the-fly fine-tuning LLM to obtain relative qualities and help to refine the loss function. Specifically, we leverage the knowledge of the LLM to design a refinement function to estimate the quality of both the positive and negative responses. We show that the constructed refinement function can help self-refine the loss function under mild assumptions. The refinement function is integrated into DPO and its variant Identity Policy Optimization (IPO). Experiments across various evaluators indicate that they can improve the performance of the fine-tuned models over DPO and IPO.

An algorithm to estimate the evolution of learning curves on the whole of a training data base, based on the results obtained from a portion and using a functional strategy, is introduced. We approximate iteratively the sought value at the desired time, independently of the learning technique used and once a point in the process, called prediction level, has been passed. The proposal proves to be formally correct with respect to our working hypotheses and includes a reliable proximity condition. This allows the user to fix a convergence threshold with respect to the accuracy finally achievable, which extends the concept of stopping criterion and seems to be effective even in the presence of distorting observations. Our aim is to evaluate the training effort, supporting decision making in order to reduce the need for both human and computational resources during the learning process. The proposal is of interest in at least three operational procedures. The first is the anticipation of accuracy gain, with the purpose of measuring how much work is needed to achieve a certain degree of performance. The second relates the comparison of efficiency between systems at training time, with the objective of completing this task only for the one that best suits our requirements. The prediction of accuracy is also a valuable item of information for customizing systems, since we can estimate in advance the impact of settings on both the performance and the development costs. Using the generation of part-of-speech taggers as an example application, the experimental results are consistent with our expectations.

Low-rank training has emerged as a promising approach for reducing memory usage in training Large Language Models (LLMs). Previous methods either rely on decomposing weight matrices (e.g., LoRA), or seek to decompose gradient matrices (e.g., GaLore) to ensure reduced memory consumption. However, both of them constrain the training in a low-rank subspace, thus inevitably leading to sub-optimal performance. This raises a question: whether it is possible to consistently preserve the low-rank constraint for memory efficiency, while achieving full-rank training (i.e., training with full-rank gradients of full-rank weights) to avoid inferior outcomes? In this paper, we propose a new plug-and-play training framework for LLMs called Fira, as the first attempt to achieve this goal. First, we observe an interesting phenomenon during LLM training: the scaling impact of adaptive optimizers (e.g., Adam) on the gradient norm remains similar from low-rank to full-rank training. Based on this observation, we propose a norm-based scaling method, which utilizes the scaling impact of low-rank optimizers as substitutes for that of original full-rank optimizers to enable full-rank training. In this way, we can preserve the low-rank constraint in the optimizer while achieving full-rank training for better performance. Moreover, we find that there are sudden gradient rises during the optimization process, potentially causing loss spikes. To address this, we further put forward a norm-growth limiter to smooth the gradient via regulating the relative increase of gradient norms. Extensive experiments on the pre-training and fine-tuning of LLMs show that Fira outperforms both LoRA and GaLore, achieving performance that is comparable to or even better than full-rank training.

Instruct LLM provide a paradigm used in large scale language model to align LLM to human preference. The paradigm contains supervised fine tuning and reinforce learning from human feedback. This paradigm is also used in downstream scenarios to adapt LLM to specific corpora and applications. Comparing to SFT, there are many efforts focused on RLHF and several algorithms being proposed, such as PPO, DPO, IPO, KTO, MinorDPO and etc. Meanwhile most efforts for SFT are focused on how to collect, filter and mix high quality data. In this article with insight from DPO and MinorDPO, we propose a training metric for SFT to measure the discrepancy between the optimized model and the original model, and a loss function MinorSFT that can increase the training effectiveness, and reduce the discrepancy between the optimized LLM and original LLM.

Traditional reinforcement learning from human feedback (RLHF) approaches relying on parametric models like the Bradley-Terry model fall short in capturing the intransitivity and irrationality in human preferences. Recent advancements suggest that directly working with preference probabilities can yield a more accurate reflection of human preferences, enabling more flexible and accurate language model alignment. In this paper, we propose a self-play-based method for language model alignment, which treats the problem as a constant-sum two-player game aimed at identifying the Nash equilibrium policy. Our approach, dubbed Self-Play Preference Optimization (SPPO), approximates the Nash equilibrium through iterative policy updates and enjoys theoretical convergence guarantee. Our method can effectively increase the log-likelihood of the chosen response and decrease that of the rejected response, which cannot be trivially achieved by symmetric pairwise loss such as Direct Preference Optimization (DPO) and Identity Preference Optimization (IPO). In our experiments, using only 60k prompts (without responses) from the UltraFeedback dataset and without any prompt augmentation, by leveraging a pre-trained preference model PairRM with only 0.4B parameters, SPPO can obtain a model from fine-tuning Mistral-7B-Instruct-v0.2 that achieves the state-of-the-art length-controlled win-rate of 28.53% against GPT-4-Turbo on AlpacaEval 2.0. It also outperforms the (iterative) DPO and IPO on MT-Bench and the Open LLM Leaderboard. Notably, the strong performance of SPPO is achieved without additional external supervision (e.g., responses, preferences, etc.) from GPT-4 or other stronger language models.

We propose the first loss function for approximate Nash equilibria of normal-form games that is amenable to unbiased Monte Carlo estimation. This construction allows us to deploy standard non-convex stochastic optimization techniques for approximating Nash equilibria, resulting in novel algorithms with provable guarantees. We complement our theoretical analysis with experiments demonstrating that stochastic gradient descent can outperform previous state-of-the-art approaches.

Hyperparameter optimization can be formulated as a bilevel optimization problem, where the optimal parameters on the training set depend on the hyperparameters. We aim to adapt regularization hyperparameters for neural networks by fitting compact approximations to the best-response function, which maps hyperparameters to optimal weights and biases. We show how to construct scalable best-response approximations for neural networks by modeling the best-response as a single network whose hidden units are gated conditionally on the regularizer. We justify this approximation by showing the exact best-response for a shallow linear network with L2-regularized Jacobian can be represented by a similar gating mechanism. We fit this model using a gradient-based hyperparameter optimization algorithm which alternates between approximating the best-response around the current hyperparameters and optimizing the hyperparameters using the approximate best-response function. Unlike other gradient-based approaches, we do not require differentiating the training loss with respect to the hyperparameters, allowing us to tune discrete hyperparameters, data augmentation hyperparameters, and dropout probabilities. Because the hyperparameters are adapted online, our approach discovers hyperparameter schedules that can outperform fixed hyperparameter values. Empirically, our approach outperforms competing hyperparameter optimization methods on large-scale deep learning problems. We call our networks, which update their own hyperparameters online during training, Self-Tuning Networks (STNs).

Reinforcement learning from human feedback (RLHF) is one of the key techniques that helps large language models (LLMs) to follow instructions and provide helpful and harmless responses. While direct policy optimization methods exist, state-of-the-art LLMs adopt RL-based methods (usually PPO) in RLHF to train the policy to generate good responses guided by a reward model learned from preference data. The main challenge of these methods is the inaccuracy of the intermediate reward model, especially in code generation tasks that require long and complex reasoning to score a response. We find that the reliability of the reward model varies across responses assigned with different rewards. This motivates us to filter the samples whose rewards may be unreliable to improve signal-to-noise ratio during policy learning, resulting in Policy Filtration for Proximal Policy Optimization (PF-PPO). To choose a proper policy filtration strategy for a given reward model, the coefficient of determination (R^2) between rewards and actual scores on filtered samples serves as a good metrics and helps us find several promising strategies. We provide extensive experiments to validate the effectiveness of PF-PPO in code generation tasks, and find that some variants of PF-PPO are highly effective and achieve new state-of-the-art performance across 7-billion-parameter models on HumanEval, MBPP, and a new and more challenging LeetCode Contest benchmark.

Prompt tuning is a parameter-efficient method, which learns soft prompts and conditions frozen language models to perform specific downstream tasks. Though effective, prompt tuning under few-shot settings on the one hand heavily relies on a good initialization of soft prompts. On the other hand, it can easily overfit to few-shot training samples, thereby undermining generalizability. Existing works leverage pre-training or supervised meta-learning to initialize soft prompts but they fail to data-efficiently generalize to unseen downstream tasks. To address the above problems, this paper proposes a novel Self-sUpervised meta-Prompt learning framework with MEta-gradient Regularization for few-shot generalization (SUPMER). SUPMER leverages self-supervised meta-learning with a diverse set of well-designed meta-training tasks to learn a universal prompt initialization for efficient adaptation using only unlabeled data. Additionally, it jointly meta-learns a gradient regularization function to transform raw gradients into a domain-generalizable direction, thus alleviating the problem of overfitting. Extensive experiments show that SUPMER achieves better performance for different few-shot downstream tasks, and also exhibits a stronger domain generalization ability. The code for SUPMER will be available at https://github.com/beepkh/SUPMER.

While instruction-tuned language models have demonstrated impressive zero-shot generalization, these models often struggle to generate accurate responses when faced with instructions that fall outside their training set. This paper presents Instructive Decoding (ID), a simple yet effective approach that augments the efficacy of instruction-tuned models. Specifically, ID adjusts the logits for next-token prediction in a contrastive manner, utilizing predictions generated from a manipulated version of the original instruction, referred to as a noisy instruction. This noisy instruction aims to elicit responses that could diverge from the intended instruction yet remain plausible. We conduct experiments across a spectrum of such noisy instructions, ranging from those that insert semantic noise via random words to others like 'opposite' that elicit the deviated responses. Our approach achieves considerable performance gains across various instruction-tuned models and tasks without necessitating any additional parameter updates. Notably, utilizing 'opposite' as the noisy instruction in ID, which exhibits the maximum divergence from the original instruction, consistently produces the most significant performance gains across multiple models and tasks.

As optimizers are critical to the performances of neural networks, every year a large number of papers innovating on the subject are published. However, while most of these publications provide incremental improvements to existing algorithms, they tend to be presented as new optimizers rather than composable algorithms. Thus, many worthwhile improvements are rarely seen out of their initial publication. Taking advantage of this untapped potential, we introduce Ranger21, a new optimizer which combines AdamW with eight components, carefully selected after reviewing and testing ideas from the literature. We found that the resulting optimizer provides significantly improved validation accuracy and training speed, smoother training curves, and is even able to train a ResNet50 on ImageNet2012 without Batch Normalization layers. A problem on which AdamW stays systematically stuck in a bad initial state.

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.

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.

The success of visual instruction tuning has accelerated the development of large language and vision models (LLVMs). Following the scaling laws of instruction-tuned large language models (LLMs), LLVMs either have further increased their sizes, reaching 26B, 34B, and even 80B parameters. While this increase in model size has yielded significant performance gains, it demands substantially more hardware resources for both training and inference. Consequently, there naturally exists a strong need for efficient LLVMs that achieve the performance of larger models while being smaller in size. To achieve this need, we present a new efficient LLVM family with model sizes of 0.5B, 1.8B, 3.8B, and 7B parameters, Phantom, which significantly enhances learning capabilities within limited structures. By temporarily increasing the latent hidden dimension during multi-head self-attention (MHSA), we make LLVMs prepare to look and understand much more vision-language knowledge on the latent, without substantially increasing physical model sizes. To maximize its advantage, we introduce Phantom Optimization (PO) using both autoregressive supervised fine-tuning (SFT) and direct preference optimization (DPO)-like concept, which effectively follows correct answers while eliminating incorrect and ambiguous ones. Phantom outperforms numerous larger open- and closed-source LLVMs, positioning itself as a leading solution in the landscape of efficient LLVMs.

A critical component of a successful language generation pipeline is the decoding algorithm. However, the general principles that should guide the choice of decoding algorithm remain unclear. Previous works only compare decoding algorithms in narrow scenarios and their findings do not generalize across tasks. To better structure the discussion, we introduce a taxonomy that groups decoding strategies based on their implicit assumptions about how well the model's likelihood is aligned with the task-specific notion of utility. We argue that this taxonomy allows a broader view of the decoding problem and can lead to generalizable statements because it is grounded on the interplay between the decoding algorithms and the likelihood-utility misalignment. Specifically, by analyzing the correlation between the likelihood and the utility of predictions across a diverse set of tasks, we provide the first empirical evidence supporting the proposed taxonomy, and a set of principles to structure reasoning when choosing a decoding algorithm. Crucially, our analysis is the first one to relate likelihood-based decoding strategies with strategies that rely on external information such as value-guided methods and prompting, and covers the most diverse set of tasks up-to-date.

Soft prompt tuning achieves superior performances across a wide range of few-shot tasks. However, the performances of prompt tuning can be highly sensitive to the initialization of the prompts. We also empirically observe that conventional prompt tuning methods cannot encode and learn sufficient task-relevant information from prompt tokens. In this work, we develop an information-theoretic framework that formulates soft prompt tuning as maximizing mutual information between prompts and other model parameters (or encoded representations). This novel view helps us to develop a more efficient, accurate and robust soft prompt tuning method InfoPrompt. With this framework, we develop two novel mutual information based loss functions, to (i) discover proper prompt initialization for the downstream tasks and learn sufficient task-relevant information from prompt tokens and (ii) encourage the output representation from the pretrained language model to be more aware of the task-relevant information captured in the learnt prompt. Extensive experiments validate that InfoPrompt can significantly accelerate the convergence of the prompt tuning and outperform traditional prompt tuning methods. Finally, we provide a formal theoretical result for showing to show that gradient descent type algorithm can be used to train our mutual information loss.