Daily Papers

We propose a method for dynamic scene reconstruction using deformable 3D Gaussians that is tailored for monocular video. Building upon the efficiency of Gaussian splatting, our approach extends the representation to accommodate dynamic elements via a deformable set of Gaussians residing in a canonical space, and a time-dependent deformation field defined by a multi-layer perceptron (MLP). Moreover, under the assumption that most natural scenes have large regions that remain static, we allow the MLP to focus its representational power by additionally including a static Gaussian point cloud. The concatenated dynamic and static point clouds form the input for the Gaussian Splatting rasterizer, enabling real-time rendering. The differentiable pipeline is optimized end-to-end with a self-supervised rendering loss. Our method achieves results that are comparable to state-of-the-art dynamic neural radiance field methods while allowing much faster optimization and rendering. Project website: https://lynl7130.github.io/gaufre/index.html

Recent advancements in 3D avatar generation excel with multi-view supervision for photorealistic models. However, monocular counterparts lag in quality despite broader applicability. We propose ReCaLab to close this gap. ReCaLab is a fully-differentiable pipeline that learns high-fidelity 3D human avatars from just a single RGB video. A pose-conditioned deformable NeRF is optimized to volumetrically represent a human subject in canonical T-pose. The canonical representation is then leveraged to efficiently associate viewpoint-agnostic textures using 2D-3D correspondences. This enables to separately generate albedo and shading which jointly compose an RGB prediction. The design allows to control intermediate results for human pose, body shape, texture, and lighting with text prompts. An image-conditioned diffusion model thereby helps to animate appearance and pose of the 3D avatar to create video sequences with previously unseen human motion. Extensive experiments show that ReCaLab outperforms previous monocular approaches in terms of image quality for image synthesis tasks. ReCaLab even outperforms multi-view methods that leverage up to 19x more synchronized videos for the task of novel pose rendering. Moreover, natural language offers an intuitive user interface for creative manipulation of 3D human avatars.

We present SHIFT3D, a differentiable pipeline for generating 3D shapes that are structurally plausible yet challenging to 3D object detectors. In safety-critical applications like autonomous driving, discovering such novel challenging objects can offer insight into unknown vulnerabilities of 3D detectors. By representing objects with a signed distanced function (SDF), we show that gradient error signals allow us to smoothly deform the shape or pose of a 3D object in order to confuse a downstream 3D detector. Importantly, the objects generated by SHIFT3D physically differ from the baseline object yet retain a semantically recognizable shape. Our approach provides interpretable failure modes for modern 3D object detectors, and can aid in preemptive discovery of potential safety risks within 3D perception systems before these risks become critical failures.

Structure-from-motion (SfM) is a long-standing problem in the computer vision community, which aims to reconstruct the camera poses and 3D structure of a scene from a set of unconstrained 2D images. Classical frameworks solve this problem in an incremental manner by detecting and matching keypoints, registering images, triangulating 3D points, and conducting bundle adjustment. Recent research efforts have predominantly revolved around harnessing the power of deep learning techniques to enhance specific elements (e.g., keypoint matching), but are still based on the original, non-differentiable pipeline. Instead, we propose a new deep pipeline VGGSfM, where each component is fully differentiable and thus can be trained in an end-to-end manner. To this end, we introduce new mechanisms and simplifications. First, we build on recent advances in deep 2D point tracking to extract reliable pixel-accurate tracks, which eliminates the need for chaining pairwise matches. Furthermore, we recover all cameras simultaneously based on the image and track features instead of gradually registering cameras. Finally, we optimise the cameras and triangulate 3D points via a differentiable bundle adjustment layer. We attain state-of-the-art performance on three popular datasets, CO3D, IMC Phototourism, and ETH3D.

High-quality scene reconstruction and novel view synthesis based on Gaussian Splatting (3DGS) typically require steady, high-quality photographs, often impractical to capture with handheld cameras. We present a method that adapts to camera motion and allows high-quality scene reconstruction with handheld video data suffering from motion blur and rolling shutter distortion. Our approach is based on detailed modelling of the physical image formation process and utilizes velocities estimated using visual-inertial odometry (VIO). Camera poses are considered non-static during the exposure time of a single image frame and camera poses are further optimized in the reconstruction process. We formulate a differentiable rendering pipeline that leverages screen space approximation to efficiently incorporate rolling-shutter and motion blur effects into the 3DGS framework. Our results with both synthetic and real data demonstrate superior performance in mitigating camera motion over existing methods, thereby advancing 3DGS in naturalistic settings.

This paper proposes a new method for accurate and robust 6D pose estimation of novel objects, named GS2Pose. By introducing 3D Gaussian splatting, GS2Pose can utilize the reconstruction results without requiring a high-quality CAD model, which means it only requires segmented RGBD images as input. Specifically, GS2Pose employs a two-stage structure consisting of coarse estimation followed by refined estimation. In the coarse stage, a lightweight U-Net network with a polarization attention mechanism, called Pose-Net, is designed. By using the 3DGS model for supervised training, Pose-Net can generate NOCS images to compute a coarse pose. In the refinement stage, GS2Pose formulates a pose regression algorithm following the idea of reprojection or Bundle Adjustment (BA), referred to as GS-Refiner. By leveraging Lie algebra to extend 3DGS, GS-Refiner obtains a pose-differentiable rendering pipeline that refines the coarse pose by comparing the input images with the rendered images. GS-Refiner also selectively updates parameters in the 3DGS model to achieve environmental adaptation, thereby enhancing the algorithm's robustness and flexibility to illuminative variation, occlusion, and other challenging disruptive factors. GS2Pose was evaluated through experiments conducted on the LineMod dataset, where it was compared with similar algorithms, yielding highly competitive results. The code for GS2Pose will soon be released on GitHub.

In this paper, we present RayTracer.jl, a renderer in Julia that is fully differentiable using source-to-source Automatic Differentiation (AD). This means that RayTracer not only renders 2D images from 3D scene parameters, but it can be used to optimize for model parameters that generate a target image in a Differentiable Programming (DP) pipeline. We interface our renderer with the deep learning library Flux for use in combination with neural networks. We demonstrate the use of this differentiable renderer in rendering tasks and in solving inverse graphics problems.

In this paper, we introduce GS-SLAM that first utilizes 3D Gaussian representation in the Simultaneous Localization and Mapping (SLAM) system. It facilitates a better balance between efficiency and accuracy. Compared to recent SLAM methods employing neural implicit representations, our method utilizes a real-time differentiable splatting rendering pipeline that offers significant speedup to map optimization and RGB-D re-rendering. Specifically, we propose an adaptive expansion strategy that adds new or deletes noisy 3D Gaussian in order to efficiently reconstruct new observed scene geometry and improve the mapping of previously observed areas. This strategy is essential to extend 3D Gaussian representation to reconstruct the whole scene rather than synthesize a static object in existing methods. Moreover, in the pose tracking process, an effective coarse-to-fine technique is designed to select reliable 3D Gaussian representations to optimize camera pose, resulting in runtime reduction and robust estimation. Our method achieves competitive performance compared with existing state-of-the-art real-time methods on the Replica, TUM-RGBD datasets. The source code will be released soon.

In this paper, we introduce FitMe, a facial reflectance model and a differentiable rendering optimization pipeline, that can be used to acquire high-fidelity renderable human avatars from single or multiple images. The model consists of a multi-modal style-based generator, that captures facial appearance in terms of diffuse and specular reflectance, and a PCA-based shape model. We employ a fast differentiable rendering process that can be used in an optimization pipeline, while also achieving photorealistic facial shading. Our optimization process accurately captures both the facial reflectance and shape in high-detail, by exploiting the expressivity of the style-based latent representation and of our shape model. FitMe achieves state-of-the-art reflectance acquisition and identity preservation on single "in-the-wild" facial images, while it produces impressive scan-like results, when given multiple unconstrained facial images pertaining to the same identity. In contrast with recent implicit avatar reconstructions, FitMe requires only one minute and produces relightable mesh and texture-based avatars, that can be used by end-user applications.

This paper addresses the task of modeling Deformable Linear Objects (DLOs), such as ropes and cables, during dynamic motion over long time horizons. This task presents significant challenges due to the complex dynamics of DLOs. To address these challenges, this paper proposes differentiable Discrete Elastic Rods For deformable linear Objects with Real-time Modeling (DEFORM), a novel framework that combines a differentiable physics-based model with a learning framework to model DLOs accurately and in real-time. The performance of DEFORM is evaluated in an experimental setup involving two industrial robots and a variety of sensors. A comprehensive series of experiments demonstrate the efficacy of DEFORM in terms of accuracy, computational speed, and generalizability when compared to state-of-the-art alternatives. To further demonstrate the utility of DEFORM, this paper integrates it into a perception pipeline and illustrates its superior performance when compared to the state-of-the-art methods while tracking a DLO even in the presence of occlusions. Finally, this paper illustrates the superior performance of DEFORM when compared to state-of-the-art methods when it is applied to perform autonomous planning and control of DLOs. Project page: https://roahmlab.github.io/DEFORM/.

Recently, a new paradigm called Differentiable Search Index (DSI) has been proposed for document retrieval, wherein a sequence-to-sequence model is learned to directly map queries to relevant document identifiers. The key idea behind DSI is to fully parameterize traditional ``index-retrieve'' pipelines within a single neural model, by encoding all documents in the corpus into the model parameters. In essence, DSI needs to resolve two major questions: (1) how to assign an identifier to each document, and (2) how to learn the associations between a document and its identifier. In this work, we propose a Semantic-Enhanced DSI model (SE-DSI) motivated by Learning Strategies in the area of Cognitive Psychology. Our approach advances original DSI in two ways: (1) For the document identifier, we take inspiration from Elaboration Strategies in human learning. Specifically, we assign each document an Elaborative Description based on the query generation technique, which is more meaningful than a string of integers in the original DSI; and (2) For the associations between a document and its identifier, we take inspiration from Rehearsal Strategies in human learning. Specifically, we select fine-grained semantic features from a document as Rehearsal Contents to improve document memorization. Both the offline and online experiments show improved retrieval performance over prevailing baselines.

In this paper we present a review of the Kornia differentiable data augmentation (DDA) module for both for spatial (2D) and volumetric (3D) tensors. This module leverages differentiable computer vision solutions from Kornia, with an aim of integrating data augmentation (DA) pipelines and strategies to existing PyTorch components (e.g. autograd for differentiability, optim for optimization). In addition, we provide a benchmark comparing different DA frameworks and a short review for a number of approaches that make use of Kornia DDA.

By merging models, AI systems can combine the distinct strengths of separate language models, achieving a balance between multiple capabilities without requiring substantial retraining. However, the integration process can be intricate due to differences in training methods and fine-tuning, typically necessitating specialized knowledge and repeated refinement. This paper explores model merging techniques across a spectrum of complexity, examining where automated methods like evolutionary strategies stand compared to hyperparameter-driven approaches such as DARE, TIES-Merging and simpler methods like Model Soups. In addition, we introduce Differentiable Adaptive Merging (DAM), an efficient, adaptive merging approach as an alternative to evolutionary merging that optimizes model integration through scaling coefficients, minimizing computational demands. Our findings reveal that even simple averaging methods, like Model Soups, perform competitively when model similarity is high, underscoring each technique's unique strengths and limitations. We open-sourced DAM, including the implementation code and experiment pipeline, on GitHub: https://github.com/arcee-ai/DAM.

Current tools for machine learning fairness only admit a limited range of fairness definitions and have seen little integration with automatic differentiation libraries, despite the central role these libraries play in modern machine learning pipelines. We introduce a framework of fairness regularization terms (fairrets) which quantify bias as modular objectives that are easily integrated in automatic differentiation pipelines. By employing a general definition of fairness in terms of linear-fractional statistics, a wide class of fairrets can be computed efficiently. Experiments show the behavior of their gradients and their utility in enforcing fairness with minimal loss of predictive power compared to baselines. Our contribution includes a PyTorch implementation of the fairret framework.

We propose nabla-RANSAC, a generalized differentiable RANSAC that allows learning the entire randomized robust estimation pipeline. The proposed approach enables the use of relaxation techniques for estimating the gradients in the sampling distribution, which are then propagated through a differentiable solver. The trainable quality function marginalizes over the scores from all the models estimated within nabla-RANSAC to guide the network learning accurate and useful inlier probabilities or to train feature detection and matching networks. Our method directly maximizes the probability of drawing a good hypothesis, allowing us to learn better sampling distribution. We test nabla-RANSAC on a number of real-world scenarios on fundamental and essential matrix estimation, both outdoors and indoors, with handcrafted and learning-based features. It is superior to the state-of-the-art in terms of accuracy while running at a similar speed to its less accurate alternatives. The code and trained models are available at https://github.com/weitong8591/differentiable_ransac.

ControlNet offers a powerful way to guide diffusion-based generative models, yet most implementations rely on ad-hoc heuristics to choose which network blocks to control-an approach that varies unpredictably with different tasks. To address this gap, we propose FlexControl, a novel framework that copies all diffusion blocks during training and employs a trainable gating mechanism to dynamically select which blocks to activate at each denoising step. With introducing a computation-aware loss, we can encourage control blocks only to activate when it benefit the generation quality. By eliminating manual block selection, FlexControl enhances adaptability across diverse tasks and streamlines the design pipeline, with computation-aware training loss in an end-to-end training manner. Through comprehensive experiments on both UNet (e.g., SD1.5) and DiT (e.g., SD3.0), we show that our method outperforms existing ControlNet variants in certain key aspects of interest. As evidenced by both quantitative and qualitative evaluations, FlexControl preserves or enhances image fidelity while also reducing computational overhead by selectively activating the most relevant blocks. These results underscore the potential of a flexible, data-driven approach for controlled diffusion and open new avenues for efficient generative model design.

Recently, segmentation-based scene text detection methods have drawn extensive attention in the scene text detection field, because of their superiority in detecting the text instances of arbitrary shapes and extreme aspect ratios, profiting from the pixel-level descriptions. However, the vast majority of the existing segmentation-based approaches are limited to their complex post-processing algorithms and the scale robustness of their segmentation models, where the post-processing algorithms are not only isolated to the model optimization but also time-consuming and the scale robustness is usually strengthened by fusing multi-scale feature maps directly. In this paper, we propose a Differentiable Binarization (DB) module that integrates the binarization process, one of the most important steps in the post-processing procedure, into a segmentation network. Optimized along with the proposed DB module, the segmentation network can produce more accurate results, which enhances the accuracy of text detection with a simple pipeline. Furthermore, an efficient Adaptive Scale Fusion (ASF) module is proposed to improve the scale robustness by fusing features of different scales adaptively. By incorporating the proposed DB and ASF with the segmentation network, our proposed scene text detector consistently achieves state-of-the-art results, in terms of both detection accuracy and speed, on five standard benchmarks.

Point-based radiance field rendering has demonstrated impressive results for novel view synthesis, offering a compelling blend of rendering quality and computational efficiency. However, also latest approaches in this domain are not without their shortcomings. 3D Gaussian Splatting [Kerbl and Kopanas et al. 2023] struggles when tasked with rendering highly detailed scenes, due to blurring and cloudy artifacts. On the other hand, ADOP [R\"uckert et al. 2022] can accommodate crisper images, but the neural reconstruction network decreases performance, it grapples with temporal instability and it is unable to effectively address large gaps in the point cloud. In this paper, we present TRIPS (Trilinear Point Splatting), an approach that combines ideas from both Gaussian Splatting and ADOP. The fundamental concept behind our novel technique involves rasterizing points into a screen-space image pyramid, with the selection of the pyramid layer determined by the projected point size. This approach allows rendering arbitrarily large points using a single trilinear write. A lightweight neural network is then used to reconstruct a hole-free image including detail beyond splat resolution. Importantly, our render pipeline is entirely differentiable, allowing for automatic optimization of both point sizes and positions. Our evaluation demonstrate that TRIPS surpasses existing state-of-the-art methods in terms of rendering quality while maintaining a real-time frame rate of 60 frames per second on readily available hardware. This performance extends to challenging scenarios, such as scenes featuring intricate geometry, expansive landscapes, and auto-exposed footage.

We introduce AlphaTablets, a novel and generic representation of 3D planes that features continuous 3D surface and precise boundary delineation. By representing 3D planes as rectangles with alpha channels, AlphaTablets combine the advantages of current 2D and 3D plane representations, enabling accurate, consistent and flexible modeling of 3D planes. We derive differentiable rasterization on top of AlphaTablets to efficiently render 3D planes into images, and propose a novel bottom-up pipeline for 3D planar reconstruction from monocular videos. Starting with 2D superpixels and geometric cues from pre-trained models, we initialize 3D planes as AlphaTablets and optimize them via differentiable rendering. An effective merging scheme is introduced to facilitate the growth and refinement of AlphaTablets. Through iterative optimization and merging, we reconstruct complete and accurate 3D planes with solid surfaces and clear boundaries. Extensive experiments on the ScanNet dataset demonstrate state-of-the-art performance in 3D planar reconstruction, underscoring the great potential of AlphaTablets as a generic 3D plane representation for various applications. Project page is available at: https://hyzcluster.github.io/alphatablets

Dense simultaneous localization and mapping (SLAM) is pivotal for embodied scene understanding. Recent work has shown that 3D Gaussians enable high-quality reconstruction and real-time rendering of scenes using multiple posed cameras. In this light, we show for the first time that representing a scene by 3D Gaussians can enable dense SLAM using a single unposed monocular RGB-D camera. Our method, SplaTAM, addresses the limitations of prior radiance field-based representations, including fast rendering and optimization, the ability to determine if areas have been previously mapped, and structured map expansion by adding more Gaussians. We employ an online tracking and mapping pipeline while tailoring it to specifically use an underlying Gaussian representation and silhouette-guided optimization via differentiable rendering. Extensive experiments show that SplaTAM achieves up to 2X state-of-the-art performance in camera pose estimation, map construction, and novel-view synthesis, demonstrating its superiority over existing approaches, while allowing real-time rendering of a high-resolution dense 3D map.

Rendering photo-realistic novel-view images of complex scenes has been a long-standing challenge in computer graphics. In recent years, great research progress has been made on enhancing rendering quality and accelerating rendering speed in the realm of view synthesis. However, when rendering complex dynamic scenes with sparse views, the rendering quality remains limited due to occlusion problems. Besides, for rendering high-resolution images on dynamic scenes, the rendering speed is still far from real-time. In this work, we propose a generalizable view synthesis method that can render high-resolution novel-view images of complex static and dynamic scenes in real-time from sparse views. To address the occlusion problems arising from the sparsity of input views and the complexity of captured scenes, we introduce an explicit 3D visibility reasoning approach that can efficiently estimate the visibility of sampled 3D points to the input views. The proposed visibility reasoning approach is fully differentiable and can gracefully fit inside the volume rendering pipeline, allowing us to train our networks with only multi-view images as supervision while refining geometry and texture simultaneously. Besides, each module in our pipeline is carefully designed to bypass the time-consuming MLP querying process and enhance the rendering quality of high-resolution images, enabling us to render high-resolution novel-view images in real-time.Experimental results show that our method outperforms previous view synthesis methods in both rendering quality and speed, particularly when dealing with complex dynamic scenes with sparse views.

We present a novel approach to adjust global image properties such as colour, saturation, and luminance using human-interpretable image enhancement curves, inspired by the Photoshop curves tool. Our method, dubbed neural CURve Layers (CURL), is designed as a multi-colour space neural retouching block trained jointly in three different colour spaces (HSV, CIELab, RGB) guided by a novel multi-colour space loss. The curves are fully differentiable and are trained end-to-end for different computer vision problems including photo enhancement (RGB-to-RGB) and as part of the image signal processing pipeline for image formation (RAW-to-RGB). To demonstrate the effectiveness of CURL we combine this global image transformation block with a pixel-level (local) image multi-scale encoder-decoder backbone network. In an extensive experimental evaluation we show that CURL produces state-of-the-art image quality versus recently proposed deep learning approaches in both objective and perceptual metrics, setting new state-of-the-art performance on multiple public datasets. Our code is publicly available at: https://github.com/sjmoran/CURL.

Memory is a limiting resource for many deep learning tasks. Beside the neural network weights, one main memory consumer is the computation graph built up by automatic differentiation (AD) for backpropagation. We observe that PyTorch's current AD implementation neglects information about parameter differentiability when storing the computation graph. This information is useful though to reduce memory whenever gradients are requested for a parameter subset, as is the case in many modern fine-tuning tasks. Specifically, inputs to layers that act linearly in their parameters (dense, convolution, or normalization layers) can be discarded whenever the parameters are marked as non-differentiable. We provide a drop-in, differentiability-agnostic implementation of such layers and demonstrate its ability to reduce memory without affecting run time.

Production deployments in complex systems require ML architectures to be highly efficient and usable against multiple tasks. Particularly demanding are classification problems in which data arrives in a streaming fashion and each class is presented separately. Recent methods with stochastic gradient learning have been shown to struggle in such setups or have limitations like memory buffers, and being restricted to specific domains that disable its usage in real-world scenarios. For this reason, we present a fully differentiable architecture based on the Mixture of Experts model, that enables the training of high-performance classifiers when examples from each class are presented separately. We conducted exhaustive experiments that proved its applicability in various domains and ability to learn online in production environments. The proposed technique achieves SOTA results without a memory buffer and clearly outperforms the reference methods.

Differentiable sorting algorithms allow training with sorting and ranking supervision, where only the ordering or ranking of samples is known. Various methods have been proposed to address this challenge, ranging from optimal transport-based differentiable Sinkhorn sorting algorithms to making classic sorting networks differentiable. One problem of current differentiable sorting methods is that they are non-monotonic. To address this issue, we propose a novel relaxation of conditional swap operations that guarantees monotonicity in differentiable sorting networks. We introduce a family of sigmoid functions and prove that they produce differentiable sorting networks that are monotonic. Monotonicity ensures that the gradients always have the correct sign, which is an advantage in gradient-based optimization. We demonstrate that monotonic differentiable sorting networks improve upon previous differentiable sorting methods.

As Deep Neural Networks (DNNs) grow in size and complexity, they often exceed the memory capacity of a single accelerator, necessitating the sharding of model parameters across multiple accelerators. Pipeline parallelism is a commonly used sharding strategy for training large DNNs. However, current implementations of pipeline parallelism are being unintentionally bottlenecked by the automatic differentiation tools provided by ML frameworks. This paper introduces 2-stage backpropagation (2BP). By splitting the backward propagation step into two separate stages, we can reduce idle compute time. We tested 2BP on various model architectures and pipelining schedules, achieving increases in throughput in all cases. Using 2BP, we were able to achieve a 1.70x increase in throughput compared to traditional methods when training a LLaMa-like transformer with 7 billion parameters across 4 GPUs.

With the increasing scale of models, the need for efficient distributed training has become increasingly urgent. Recently, many synchronous pipeline parallelism approaches have been proposed to improve training throughput. However, these approaches still suffer from two major issues, i.e., pipeline bubbles caused by periodic flushing and extra communication due to the increasing number of pipeline stages. To this end, we propose BitPipe, a bidirectional interleaved pipeline parallelism for accelerating large models training. Specifically, a hybrid scheme of fusing interleaved pipelines with bidirectional pipelines is proposed to reduce the computational time of each single micro-batch and multiply the number of devices executing simultaneously. A V-shaped schedule with eager gradient synchronization is introduced to reduce and overlap the communication between devices. Experiments conducted on up to 32 GPUs show that BitPipe improves the training throughput of GPT-style and BERT-style models by 1.05x-1.28x compared to the state-of-the-art synchronous approaches. The code of our implementation is available at https://github.com/wuhouming/BitPipe.

Differentiable architecture search (DARTS) yields highly efficient gradient-based neural architecture search (NAS) by relaxing the discrete operation selection to optimize continuous architecture parameters that maps NAS from the discrete optimization to a continuous problem. DARTS then remaps the relaxed supernet back to the discrete space by one-off post-search pruning to obtain the final architecture (finalnet). Some emerging works argue that this remap is inherently prone to mismatch the network between training and evaluation which leads to performance discrepancy and even model collapse in extreme cases. We propose to close the gap between the relaxed supernet in training and the pruned finalnet in evaluation through utilizing small temperature to sparsify the continuous distribution in the training phase. To this end, we first formulate sparse-noisy softmax to get around gradient saturation. We then propose an exponential temperature schedule to better control the outbound distribution and elaborate an entropy-based adaptive scheme to finally achieve the enhancement. We conduct extensive experiments to verify the efficiency and efficacy of our method.

Differentiable neural architecture search methods became popular in recent years, mainly due to their low search costs and flexibility in designing the search space. However, these methods suffer the difficulty in optimizing network, so that the searched network is often unfriendly to hardware. This paper deals with this problem by adding a differentiable latency loss term into optimization, so that the search process can tradeoff between accuracy and latency with a balancing coefficient. The core of latency prediction is to encode each network architecture and feed it into a multi-layer regressor, with the training data which can be easily collected from randomly sampling a number of architectures and evaluating them on the hardware. We evaluate our approach on NVIDIA Tesla-P100 GPUs. With 100K sampled architectures (requiring a few hours), the latency prediction module arrives at a relative error of lower than 10%. Equipped with this module, the search method can reduce the latency by 20% meanwhile preserving the accuracy. Our approach also enjoys the ability of being transplanted to a wide range of hardware platforms with very few efforts, or being used to optimizing other non-differentiable factors such as power consumption.

Diffusion models have emerged as dominant performers for image generation. To support training large diffusion models, this paper studies pipeline parallel training of diffusion models and proposes DiffusionPipe, a synchronous pipeline training system that advocates innovative pipeline bubble filling technique, catering to structural characteristics of diffusion models. State-of-the-art diffusion models typically include trainable (the backbone) and non-trainable (e.g., frozen input encoders) parts. We first unify optimal stage partitioning and pipeline scheduling of single and multiple backbones in representative diffusion models with a dynamic programming approach. We then propose to fill the computation of non-trainable model parts into idle periods of the pipeline training of the backbones by an efficient greedy algorithm, thus achieving high training throughput. Extensive experiments show that DiffusionPipe can achieve up to 1.41x speedup over pipeline parallel methods and 1.28x speedup over data parallel training on popular diffusion models.

Differentiable Neural Architecture Search is one of the most popular Neural Architecture Search (NAS) methods for its search efficiency and simplicity, accomplished by jointly optimizing the model weight and architecture parameters in a weight-sharing supernet via gradient-based algorithms. At the end of the search phase, the operations with the largest architecture parameters will be selected to form the final architecture, with the implicit assumption that the values of architecture parameters reflect the operation strength. While much has been discussed about the supernet's optimization, the architecture selection process has received little attention. We provide empirical and theoretical analysis to show that the magnitude of architecture parameters does not necessarily indicate how much the operation contributes to the supernet's performance. We propose an alternative perturbation-based architecture selection that directly measures each operation's influence on the supernet. We re-evaluate several differentiable NAS methods with the proposed architecture selection and find that it is able to extract significantly improved architectures from the underlying supernets consistently. Furthermore, we find that several failure modes of DARTS can be greatly alleviated with the proposed selection method, indicating that much of the poor generalization observed in DARTS can be attributed to the failure of magnitude-based architecture selection rather than entirely the optimization of its supernet.

Humans manipulate various kinds of fluids in their everyday life: creating latte art, scooping floating objects from water, rolling an ice cream cone, etc. Using robots to augment or replace human labors in these daily settings remain as a challenging task due to the multifaceted complexities of fluids. Previous research in robotic fluid manipulation mostly consider fluids governed by an ideal, Newtonian model in simple task settings (e.g., pouring). However, the vast majority of real-world fluid systems manifest their complexities in terms of the fluid's complex material behaviors and multi-component interactions, both of which were well beyond the scope of the current literature. To evaluate robot learning algorithms on understanding and interacting with such complex fluid systems, a comprehensive virtual platform with versatile simulation capabilities and well-established tasks is needed. In this work, we introduce FluidLab, a simulation environment with a diverse set of manipulation tasks involving complex fluid dynamics. These tasks address interactions between solid and fluid as well as among multiple fluids. At the heart of our platform is a fully differentiable physics simulator, FluidEngine, providing GPU-accelerated simulations and gradient calculations for various material types and their couplings. We identify several challenges for fluid manipulation learning by evaluating a set of reinforcement learning and trajectory optimization methods on our platform. To address these challenges, we propose several domain-specific optimization schemes coupled with differentiable physics, which are empirically shown to be effective in tackling optimization problems featured by fluid system's non-convex and non-smooth properties. Furthermore, we demonstrate reasonable sim-to-real transfer by deploying optimized trajectories in real-world settings.

Differentiable Architecture Search (DARTS) has attracted a lot of attention due to its simplicity and small search costs achieved by a continuous relaxation and an approximation of the resulting bi-level optimization problem. However, DARTS does not work robustly for new problems: we identify a wide range of search spaces for which DARTS yields degenerate architectures with very poor test performance. We study this failure mode and show that, while DARTS successfully minimizes validation loss, the found solutions generalize poorly when they coincide with high validation loss curvature in the architecture space. We show that by adding one of various types of regularization we can robustify DARTS to find solutions with less curvature and better generalization properties. Based on these observations, we propose several simple variations of DARTS that perform substantially more robustly in practice. Our observations are robust across five search spaces on three image classification tasks and also hold for the very different domains of disparity estimation (a dense regression task) and language modelling.

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

Differentiable architecture search (DARTS) is an effective method for data-driven neural network design based on solving a bilevel optimization problem. Despite its success in many architecture search tasks, there are still some concerns about the accuracy of first-order DARTS and the efficiency of the second-order DARTS. In this paper, we formulate a single level alternative and a relaxed architecture search (RARTS) method that utilizes the whole dataset in architecture learning via both data and network splitting, without involving mixed second derivatives of the corresponding loss functions like DARTS. In our formulation of network splitting, two networks with different but related weights cooperate in search of a shared architecture. The advantage of RARTS over DARTS is justified by a convergence theorem and an analytically solvable model. Moreover, RARTS outperforms DARTS and its variants in accuracy and search efficiency, as shown in adequate experimental results. For the task of searching topological architecture, i.e., the edges and the operations, RARTS obtains a higher accuracy and 60\% reduction of computational cost than second-order DARTS on CIFAR-10. RARTS continues to out-perform DARTS upon transfer to ImageNet and is on par with recent variants of DARTS even though our innovation is purely on the training algorithm without modifying search space. For the task of searching width, i.e., the number of channels in convolutional layers, RARTS also outperforms the traditional network pruning benchmarks. Further experiments on the public architecture search benchmark like NATS-Bench also support the preeminence of RARTS.

Scaling up deep neural network capacity has been known as an effective approach to improving model quality for several different machine learning tasks. In many cases, increasing model capacity beyond the memory limit of a single accelerator has required developing special algorithms or infrastructure. These solutions are often architecture-specific and do not transfer to other tasks. To address the need for efficient and task-independent model parallelism, we introduce GPipe, a pipeline parallelism library that allows scaling any network that can be expressed as a sequence of layers. By pipelining different sub-sequences of layers on separate accelerators, GPipe provides the flexibility of scaling a variety of different networks to gigantic sizes efficiently. Moreover, GPipe utilizes a novel batch-splitting pipelining algorithm, resulting in almost linear speedup when a model is partitioned across multiple accelerators. We demonstrate the advantages of GPipe by training large-scale neural networks on two different tasks with distinct network architectures: (i) Image Classification: We train a 557-million-parameter AmoebaNet model and attain a top-1 accuracy of 84.4% on ImageNet-2012, (ii) Multilingual Neural Machine Translation: We train a single 6-billion-parameter, 128-layer Transformer model on a corpus spanning over 100 languages and achieve better quality than all bilingual models.

In the context of structure-to-structure transformation tasks, learning sequences of discrete symbolic operations poses significant challenges due to their non-differentiability. To facilitate the learning of these symbolic sequences, we introduce a differentiable tree interpreter that compiles high-level symbolic tree operations into subsymbolic matrix operations on tensors. We present a novel Differentiable Tree Machine (DTM) architecture that integrates our interpreter with an external memory and an agent that learns to sequentially select tree operations to execute the target transformation in an end-to-end manner. With respect to out-of-distribution compositional generalization on synthetic semantic parsing and language generation tasks, DTM achieves 100% while existing baselines such as Transformer, Tree Transformer, LSTM, and Tree2Tree LSTM achieve less than 30%. DTM remains highly interpretable in addition to its perfect performance.

Differentiable physics enables efficient gradient-based optimizations of neural network (NN) controllers. However, existing work typically only delivers NN controllers with limited capability and generalizability. We present a practical learning framework that outputs unified NN controllers capable of tasks with significantly improved complexity and diversity. To systematically improve training robustness and efficiency, we investigated a suite of improvements over the baseline approach, including periodic activation functions, and tailored loss functions. In addition, we find our adoption of batching and an Adam optimizer effective in training complex locomotion tasks. We evaluate our framework on differentiable mass-spring and material point method (MPM) simulations, with challenging locomotion tasks and multiple robot designs. Experiments show that our learning framework, based on differentiable physics, delivers better results than reinforcement learning and converges much faster. We demonstrate that users can interactively control soft robot locomotion and switch among multiple goals with specified velocity, height, and direction instructions using a unified NN controller trained in our system. Code is available at https://github.com/erizmr/Complex-locomotion-skill-learning-via-differentiable-physics.

Graph convolutional networks (GCNs) enable end-to-end learning on graph structured data. However, many works assume a given graph structure. When the input graph is noisy or unavailable, one approach is to construct or learn a latent graph structure. These methods typically fix the choice of node degree for the entire graph, which is suboptimal. Instead, we propose a novel end-to-end differentiable graph generator which builds graph topologies where each node selects both its neighborhood and its size. Our module can be readily integrated into existing pipelines involving graph convolution operations, replacing the predetermined or existing adjacency matrix with one that is learned, and optimized, as part of the general objective. As such it is applicable to any GCN. We integrate our module into trajectory prediction, point cloud classification and node classification pipelines resulting in improved accuracy over other structure-learning methods across a wide range of datasets and GCN backbones.

Well-known activation functions like ReLU or Leaky ReLU are non-differentiable at the origin. Over the years, many smooth approximations of ReLU have been proposed using various smoothing techniques. We propose new smooth approximations of a non-differentiable activation function by convolving it with approximate identities. In particular, we present smooth approximations of Leaky ReLU and show that they outperform several well-known activation functions in various datasets and models. We call this function Smooth Activation Unit (SAU). Replacing ReLU by SAU, we get 5.12% improvement with ShuffleNet V2 (2.0x) model on CIFAR100 dataset.

Geometric Deep Learning has recently made striking progress with the advent of continuous deep implicit fields. They allow for detailed modeling of watertight surfaces of arbitrary topology while not relying on a 3D Euclidean grid, resulting in a learnable parameterization that is unlimited in resolution. Unfortunately, these methods are often unsuitable for applications that require an explicit mesh-based surface representation because converting an implicit field to such a representation relies on the Marching Cubes algorithm, which cannot be differentiated with respect to the underlying implicit field. In this work, we remove this limitation and introduce a differentiable way to produce explicit surface mesh representations from Deep Implicit Fields. Our key insight is that by reasoning on how implicit field perturbations impact local surface geometry, one can ultimately differentiate the 3D location of surface samples with respect to the underlying deep implicit field. We exploit this to define DeepMesh - an end-to-end differentiable mesh representation that can vary its topology. We validate our theoretical insight through several applications: Single view 3D Reconstruction via Differentiable Rendering, Physically-Driven Shape Optimization, Full Scene 3D Reconstruction from Scans and End-to-End Training. In all cases our end-to-end differentiable parameterization gives us an edge over state-of-the-art algorithms.

Turing machine and decision tree have developed independently for a long time. With the recent development of differentiable models, there is an intersection between them. Neural turing machine(NTM) opens door for the memory network. It use differentiable attention mechanism to read/write external memory bank. Differentiable forest brings differentiable properties to classical decision tree. In this short note, we show the deep connection between these two models. That is: differentiable forest is a special case of NTM. Differentiable forest is actually decision tree based neural turing machine. Based on this deep connection, we propose a response augmented differential forest (RaDF). The controller of RaDF is differentiable forest, the external memory of RaDF are response vectors which would be read/write by leaf nodes.

Balancing efficiency and accuracy is a long-standing problem for deploying deep learning models. The trade-off is even more important for real-time safety-critical systems like autonomous vehicles. In this paper, we propose an effective approach for accelerating transformer-based 3D object detectors by dynamically halting tokens at different layers depending on their contribution to the detection task. Although halting a token is a non-differentiable operation, our method allows for differentiable end-to-end learning by leveraging an equivalent differentiable forward-pass. Furthermore, our framework allows halted tokens to be reused to inform the model's predictions through a straightforward token recycling mechanism. Our method significantly improves the Pareto frontier of efficiency versus accuracy when compared with the existing approaches. By halting tokens and increasing model capacity, we are able to improve the baseline model's performance without increasing the model's latency on the Waymo Open Dataset.

Differentiable ARchiTecture Search (DARTS) is one of the most trending Neural Architecture Search (NAS) methods. It drastically reduces search cost by resorting to weight-sharing. However, it also dramatically reduces the search space, thus excluding potential promising architectures. In this article, we propose D-DARTS, a solution that addresses this problem by nesting neural networks at the cell level instead of using weight-sharing to produce more diversified and specialized architectures. Moreover, we introduce a novel algorithm that can derive deeper architectures from a few trained cells, increasing performance and saving computation time. In addition, we also present an alternative search space (DARTOpti) in which we optimize existing handcrafted architectures (e.g., ResNet) rather than starting from scratch. This approach is accompanied by a novel metric that measures the distance between architectures inside our custom search space. Our solution reaches competitive performance on multiple computer vision tasks. Code and pretrained models can be accessed at https://github.com/aheuillet/D-DARTS.

Neural architecture search (NAS) has a great impact by automatically designing effective neural network architectures. However, the prohibitive computational demand of conventional NAS algorithms (e.g. 10^4 GPU hours) makes it difficult to directly search the architectures on large-scale tasks (e.g. ImageNet). Differentiable NAS can reduce the cost of GPU hours via a continuous representation of network architecture but suffers from the high GPU memory consumption issue (grow linearly w.r.t. candidate set size). As a result, they need to utilize~proxy tasks, such as training on a smaller dataset, or learning with only a few blocks, or training just for a few epochs. These architectures optimized on proxy tasks are not guaranteed to be optimal on the target task. In this paper, we present ProxylessNAS that can directly learn the architectures for large-scale target tasks and target hardware platforms. We address the high memory consumption issue of differentiable NAS and reduce the computational cost (GPU hours and GPU memory) to the same level of regular training while still allowing a large candidate set. Experiments on CIFAR-10 and ImageNet demonstrate the effectiveness of directness and specialization. On CIFAR-10, our model achieves 2.08\% test error with only 5.7M parameters, better than the previous state-of-the-art architecture AmoebaNet-B, while using 6times fewer parameters. On ImageNet, our model achieves 3.1\% better top-1 accuracy than MobileNetV2, while being 1.2times faster with measured GPU latency. We also apply ProxylessNAS to specialize neural architectures for hardware with direct hardware metrics (e.g. latency) and provide insights for efficient CNN architecture design.

We introduce a new family of deep neural network models. Instead of specifying a discrete sequence of hidden layers, we parameterize the derivative of the hidden state using a neural network. The output of the network is computed using a black-box differential equation solver. These continuous-depth models have constant memory cost, adapt their evaluation strategy to each input, and can explicitly trade numerical precision for speed. We demonstrate these properties in continuous-depth residual networks and continuous-time latent variable models. We also construct continuous normalizing flows, a generative model that can train by maximum likelihood, without partitioning or ordering the data dimensions. For training, we show how to scalably backpropagate through any ODE solver, without access to its internal operations. This allows end-to-end training of ODEs within larger models.

Differentiable particle filters are an emerging class of sequential Bayesian inference techniques that use neural networks to construct components in state space models. Existing approaches are mostly based on offline supervised training strategies. This leads to the delay of the model deployment and the obtained filters are susceptible to distribution shift of test-time data. In this paper, we propose an online learning framework for differentiable particle filters so that model parameters can be updated as data arrive. The technical constraint is that there is no known ground truth state information in the online inference setting. We address this by adopting an unsupervised loss to construct the online model updating procedure, which involves a sequence of filtering operations for online maximum likelihood-based parameter estimation. We empirically evaluate the effectiveness of the proposed method, and compare it with supervised learning methods in simulation settings including a multivariate linear Gaussian state-space model and a simulated object tracking experiment.

We present a training system, which can provably defend significantly larger neural networks than previously possible, including ResNet-34 and DenseNet-100. Our approach is based on differentiable abstract interpretation and introduces two novel concepts: (i) abstract layers for fine-tuning the precision and scalability of the abstraction, (ii) a flexible domain specific language (DSL) for describing training objectives that combine abstract and concrete losses with arbitrary specifications. Our training method is implemented in the DiffAI system.

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}.

We propose a new differentiable probabilistic model over DAGs (DP-DAG). DP-DAG allows fast and differentiable DAG sampling suited to continuous optimization. To this end, DP-DAG samples a DAG by successively (1) sampling a linear ordering of the node and (2) sampling edges consistent with the sampled linear ordering. We further propose VI-DP-DAG, a new method for DAG learning from observational data which combines DP-DAG with variational inference. Hence,VI-DP-DAG approximates the posterior probability over DAG edges given the observed data. VI-DP-DAG is guaranteed to output a valid DAG at any time during training and does not require any complex augmented Lagrangian optimization scheme in contrast to existing differentiable DAG learning approaches. In our extensive experiments, we compare VI-DP-DAG to other differentiable DAG learning baselines on synthetic and real datasets. VI-DP-DAG significantly improves DAG structure and causal mechanism learning while training faster than competitors.

Pipeline parallelism is one of the key components for large-scale distributed training, yet its efficiency suffers from pipeline bubbles which were deemed inevitable. In this work, we introduce a scheduling strategy that, to our knowledge, is the first to successfully achieve zero pipeline bubbles under synchronous training semantics. The key idea behind this improvement is to split the backward computation into two parts, one that computes gradient for the input and another that computes for the parameters. Based on this idea, we handcraft novel pipeline schedules that significantly outperform the baseline methods. We further develop an algorithm that automatically finds an optimal schedule based on specific model configuration and memory limit. Additionally, to truly achieve zero bubble, we introduce a novel technique to bypass synchronizations during the optimizer step. Experimental evaluations show that our method outperforms the 1F1B schedule up to 23% in throughput under a similar memory limit. This number can be further pushed to 31% when the memory constraint is relaxed. We believe our results mark a major step forward in harnessing the true potential of pipeline parallelism. We open sourced our implementation based on the popular Megatron-LM repository on https://github.com/sail-sg/zero-bubble-pipeline-parallelism.

Differentiable programming techniques are widely used in the community and are responsible for the machine learning renaissance of the past several decades. While these methods are powerful, they have limits. In this short report, we discuss a common chaos based failure mode which appears in a variety of differentiable circumstances, ranging from recurrent neural networks and numerical physics simulation to training learned optimizers. We trace this failure to the spectrum of the Jacobian of the system under study, and provide criteria for when a practitioner might expect this failure to spoil their differentiation based optimization algorithms.

Large-scale language models have become increasingly challenging and expensive to train. Among various methods addressing this issue, Pipeline Parallelism has been widely employed to accommodate massive model weights within limited GPU memory. This paper introduces Hanayo, a wave-like pipeline parallelism strategy that boasts a concise structure and practical applicability, alongside a high-performance pipeline execution runtime to tackle the challenges of pipeline strategy implementation. Hanayo mitigates the issues of pipeline bubbles and excessive memory consumption prevalent in existing schemes, without resorting to model duplicates as in Chimera. Our evaluation, conducted on four distinct computing clusters and involving both GPT-like and BERT-like architectures with up to 32 GPUs, demonstrates up to a 30.4 \% increase in throughput compared to the state-of-the-art approach.

Logic synthesis, a critical stage in electronic design automation (EDA), optimizes gate-level circuits to minimize power consumption and area occupancy in integrated circuits (ICs). Traditional logic synthesis tools rely on human-designed heuristics, often yielding suboptimal results. Although differentiable architecture search (DAS) has shown promise in generating circuits from truth tables, it faces challenges such as high computational complexity, convergence to local optima, and extensive hyperparameter tuning. Consequently, we propose a novel approach integrating conditional generative models with DAS for circuit generation. Our approach first introduces CircuitVQ, a circuit tokenizer trained based on our Circuit AutoEncoder We then develop CircuitAR, a masked autoregressive model leveraging CircuitVQ as the tokenizer. CircuitAR can generate preliminary circuit structures from truth tables, which guide DAS in producing functionally equivalent circuits. Notably, we observe the scalability and emergent capability in generating complex circuit structures of our CircuitAR models. Extensive experiments also show the superior performance of our method. This research bridges the gap between probabilistic generative models and precise circuit generation, offering a robust solution for logic synthesis.

Differentiable architecture search (DARTS) is successfully applied in many vision tasks. However, directly using DARTS for Transformers is memory-intensive, which renders the search process infeasible. To this end, we propose a multi-split reversible network and combine it with DARTS. Specifically, we devise a backpropagation-with-reconstruction algorithm so that we only need to store the last layer's outputs. By relieving the memory burden for DARTS, it allows us to search with larger hidden size and more candidate operations. We evaluate the searched architecture on three sequence-to-sequence datasets, i.e., WMT'14 English-German, WMT'14 English-French, and WMT'14 English-Czech. Experimental results show that our network consistently outperforms standard Transformers across the tasks. Moreover, our method compares favorably with big-size Evolved Transformers, reducing search computation by an order of magnitude.

In this work, we aim to teach robots to manipulate various thin-shell materials. Prior works studying thin-shell object manipulation mostly rely on heuristic policies or learn policies from real-world video demonstrations, and only focus on limited material types and tasks (e.g., cloth unfolding). However, these approaches face significant challenges when extended to a wider variety of thin-shell materials and a diverse range of tasks. While virtual simulations are shown to be effective in diverse robot skill learning and evaluation, prior thin-shell simulation environments only support a subset of thin-shell materials, which also limits their supported range of tasks. We introduce ThinShellLab - a fully differentiable simulation platform tailored for robotic interactions with diverse thin-shell materials possessing varying material properties, enabling flexible thin-shell manipulation skill learning and evaluation. Our experiments suggest that manipulating thin-shell objects presents several unique challenges: 1) thin-shell manipulation relies heavily on frictional forces due to the objects' co-dimensional nature, 2) the materials being manipulated are highly sensitive to minimal variations in interaction actions, and 3) the constant and frequent alteration in contact pairs makes trajectory optimization methods susceptible to local optima, and neither standard reinforcement learning algorithms nor trajectory optimization methods (either gradient-based or gradient-free) are able to solve the tasks alone. To overcome these challenges, we present an optimization scheme that couples sampling-based trajectory optimization and gradient-based optimization, boosting both learning efficiency and converged performance across various proposed tasks. In addition, the differentiable nature of our platform facilitates a smooth sim-to-real transition.

We present rectified flow, a surprisingly simple approach to learning (neural) ordinary differential equation (ODE) models to transport between two empirically observed distributions \pi_0 and \pi_1, hence providing a unified solution to generative modeling and domain transfer, among various other tasks involving distribution transport. The idea of rectified flow is to learn the ODE to follow the straight paths connecting the points drawn from \pi_0 and \pi_1 as much as possible. This is achieved by solving a straightforward nonlinear least squares optimization problem, which can be easily scaled to large models without introducing extra parameters beyond standard supervised learning. The straight paths are special and preferred because they are the shortest paths between two points, and can be simulated exactly without time discretization and hence yield computationally efficient models. We show that the procedure of learning a rectified flow from data, called rectification, turns an arbitrary coupling of \pi_0 and \pi_1 to a new deterministic coupling with provably non-increasing convex transport costs. In addition, recursively applying rectification allows us to obtain a sequence of flows with increasingly straight paths, which can be simulated accurately with coarse time discretization in the inference phase. In empirical studies, we show that rectified flow performs superbly on image generation, image-to-image translation, and domain adaptation. In particular, on image generation and translation, our method yields nearly straight flows that give high quality results even with a single Euler discretization step.

Directed acyclic graphs (DAGs) encode a lot of information about a particular distribution in their structure. However, compute required to infer these structures is typically super-exponential in the number of variables, as inference requires a sweep of a combinatorially large space of potential structures. That is, until recent advances made it possible to search this space using a differentiable metric, drastically reducing search time. While this technique -- named NOTEARS -- is widely considered a seminal work in DAG-discovery, it concedes an important property in favour of differentiability: transportability. To be transportable, the structures discovered on one dataset must apply to another dataset from the same domain. We introduce D-Struct which recovers transportability in the discovered structures through a novel architecture and loss function while remaining fully differentiable. Because D-Struct remains differentiable, our method can be easily adopted in existing differentiable architectures, as was previously done with NOTEARS. In our experiments, we empirically validate D-Struct with respect to edge accuracy and structural Hamming distance in a variety of settings.

We introduce Breadth-First Pipeline Parallelism, a novel training schedule which optimizes the combination of pipeline and data parallelism. Breadth-First Pipeline Parallelism lowers training time, cost and memory usage by combining a high GPU utilization with a small batch size per GPU, and by making use of fully sharded data parallelism. Experimentally, we observed an increase of up to 43% in training throughput for a 52 billion-parameter model using a small batch size per GPU compared to Megatron-LM, which would reduce the training time and cost by the same amount on a large GPU cluster.

There has been a large literature of neural architecture search, but most existing work made use of heuristic rules that largely constrained the search flexibility. In this paper, we first relax these manually designed constraints and enlarge the search space to contain more than 10^{160} candidates. In the new space, most existing differentiable search methods can fail dramatically. We then propose a novel algorithm named Gradual One-Level Differentiable Neural Architecture Search (GOLD-NAS) which introduces a variable resource constraint to one-level optimization so that the weak operators are gradually pruned out from the super-network. In standard image classification benchmarks, GOLD-NAS can find a series of Pareto-optimal architectures within a single search procedure. Most of the discovered architectures were never studied before, yet they achieve a nice tradeoff between recognition accuracy and model complexity. We believe the new space and search algorithm can advance the search of differentiable NAS.

Data-based and learning-based sound source localization (SSL) has shown promising results in challenging conditions, and is commonly set as a classification or a regression problem. Regression-based approaches have certain advantages over classification-based, such as continuous direction-of-arrival estimation of static and moving sources. However, multi-source scenarios require multiple regressors without a clear training strategy up-to-date, that does not rely on auxiliary information such as simultaneous sound classification. We investigate end-to-end training of such methods with a technique recently proposed for video object detectors, adapted to the SSL setting. A differentiable network is constructed that can be plugged to the output of the localizer to solve the optimal assignment between predictions and references, optimizing directly the popular CLEAR-MOT tracking metrics. Results indicate large improvements over directly optimizing mean squared errors, in terms of localization error, detection metrics, and tracking capabilities.

Deep neural networks (DNNs) continue to make significant advances, solving tasks from image classification to translation or reinforcement learning. One aspect of the field receiving considerable attention is efficiently executing deep models in resource-constrained environments, such as mobile or embedded devices. This paper focuses on this problem, and proposes two new compression methods, which jointly leverage weight quantization and distillation of larger teacher networks into smaller student networks. The first method we propose is called quantized distillation and leverages distillation during the training process, by incorporating distillation loss, expressed with respect to the teacher, into the training of a student network whose weights are quantized to a limited set of levels. The second method, differentiable quantization, optimizes the location of quantization points through stochastic gradient descent, to better fit the behavior of the teacher model. We validate both methods through experiments on convolutional and recurrent architectures. We show that quantized shallow students can reach similar accuracy levels to full-precision teacher models, while providing order of magnitude compression, and inference speedup that is linear in the depth reduction. In sum, our results enable DNNs for resource-constrained environments to leverage architecture and accuracy advances developed on more powerful devices.

Simulating rare events, such as the transformation of a reactant into a product in a chemical reaction typically requires enhanced sampling techniques that rely on heuristically chosen collective variables (CVs). We propose using differentiable simulations (DiffSim) for the discovery and enhanced sampling of chemical transformations without a need to resort to preselected CVs, using only a distance metric. Reaction path discovery and estimation of the biasing potential that enhances the sampling are merged into a single end-to-end problem that is solved by path-integral optimization. This is achieved by introducing multiple improvements over standard DiffSim such as partial backpropagation and graph mini-batching making DiffSim training stable and efficient. The potential of DiffSim is demonstrated in the successful discovery of transition paths for the Muller-Brown model potential as well as a benchmark chemical system - alanine dipeptide.

A normalizing flow models a complex probability density as an invertible transformation of a simple base density. Flows based on either coupling or autoregressive transforms both offer exact density evaluation and sampling, but rely on the parameterization of an easily invertible elementwise transformation, whose choice determines the flexibility of these models. Building upon recent work, we propose a fully-differentiable module based on monotonic rational-quadratic splines, which enhances the flexibility of both coupling and autoregressive transforms while retaining analytic invertibility. We demonstrate that neural spline flows improve density estimation, variational inference, and generative modeling of images.

In the past few years, Differentiable Neural Architecture Search (DNAS) rapidly imposed itself as the trending approach to automate the discovery of deep neural network architectures. This rise is mainly due to the popularity of DARTS, one of the first major DNAS methods. In contrast with previous works based on Reinforcement Learning or Evolutionary Algorithms, DNAS is faster by several orders of magnitude and uses fewer computational resources. In this comprehensive survey, we focus specifically on DNAS and review recent approaches in this field. Furthermore, we propose a novel challenge-based taxonomy to classify DNAS methods. We also discuss the contributions brought to DNAS in the past few years and its impact on the global NAS field. Finally, we conclude by giving some insights into future research directions for the DNAS field.

Token compression aims to speed up large-scale vision transformers (e.g. ViTs) by pruning (dropping) or merging tokens. It is an important but challenging task. Although recent advanced approaches achieved great success, they need to carefully handcraft a compression rate (i.e. number of tokens to remove), which is tedious and leads to sub-optimal performance. To tackle this problem, we propose Differentiable Compression Rate (DiffRate), a novel token compression method that has several appealing properties prior arts do not have. First, DiffRate enables propagating the loss function's gradient onto the compression ratio, which is considered as a non-differentiable hyperparameter in previous work. In this case, different layers can automatically learn different compression rates layer-wisely without extra overhead. Second, token pruning and merging can be naturally performed simultaneously in DiffRate, while they were isolated in previous works. Third, extensive experiments demonstrate that DiffRate achieves state-of-the-art performance. For example, by applying the learned layer-wise compression rates to an off-the-shelf ViT-H (MAE) model, we achieve a 40% FLOPs reduction and a 1.5x throughput improvement, with a minor accuracy drop of 0.16% on ImageNet without fine-tuning, even outperforming previous methods with fine-tuning. Codes and models are available at https://github.com/OpenGVLab/DiffRate.

We propose Pulsar, an efficient sphere-based differentiable renderer that is orders of magnitude faster than competing techniques, modular, and easy-to-use due to its tight integration with PyTorch. Differentiable rendering is the foundation for modern neural rendering approaches, since it enables end-to-end training of 3D scene representations from image observations. However, gradient-based optimization of neural mesh, voxel, or function representations suffers from multiple challenges, i.e., topological inconsistencies, high memory footprints, or slow rendering speeds. To alleviate these problems, Pulsar employs: 1) a sphere-based scene representation, 2) an efficient differentiable rendering engine, and 3) neural shading. Pulsar executes orders of magnitude faster than existing techniques and allows real-time rendering and optimization of representations with millions of spheres. Using spheres for the scene representation, unprecedented speed is obtained while avoiding topology problems. Pulsar is fully differentiable and thus enables a plethora of applications, ranging from 3D reconstruction to general neural rendering.

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.

A common pipeline in learning-based control is to iteratively estimate a model of system dynamics, and apply a trajectory optimization algorithm - e.g.~iLQR - on the learned model to minimize a target cost. This paper conducts a rigorous analysis of a simplified variant of this strategy for general nonlinear systems. We analyze an algorithm which iterates between estimating local linear models of nonlinear system dynamics and performing iLQR-like policy updates. We demonstrate that this algorithm attains sample complexity polynomial in relevant problem parameters, and, by synthesizing locally stabilizing gains, overcomes exponential dependence in problem horizon. Experimental results validate the performance of our algorithm, and compare to natural deep-learning baselines.

Inference of Large Language Models (LLMs) across computer clusters has become a focal point of research in recent times, with many acceleration techniques taking inspiration from CPU speculative execution. These techniques reduce bottlenecks associated with memory bandwidth, but also increase end-to-end latency per inference run, requiring high speculation acceptance rates to improve performance. Combined with a variable rate of acceptance across tasks, speculative inference techniques can result in reduced performance. Additionally, pipeline-parallel designs require many user requests to maintain maximum utilization. As a remedy, we propose PipeInfer, a pipelined speculative acceleration technique to reduce inter-token latency and improve system utilization for single-request scenarios while also improving tolerance to low speculation acceptance rates and low-bandwidth interconnects. PipeInfer exhibits up to a 2.15times improvement in generation speed over standard speculative inference. PipeInfer achieves its improvement through Continuous Asynchronous Speculation and Early Inference Cancellation, the former improving latency and generation speed by running single-token inference simultaneously with several speculative runs, while the latter improves speed and latency by skipping the computation of invalidated runs, even in the middle of inference.

Conditional computing processes an input using only part of the neural network's computational units. Learning to execute parts of a deep convolutional network by routing individual samples has several advantages: Reducing the computational burden is an obvious advantage. Furthermore, if similar classes are routed to the same path, that part of the network learns to discriminate between finer differences and better classification accuracies can be attained with fewer parameters. Recently, several papers have exploited this idea to take a particular child of a node in a tree-shaped network or to skip parts of a network. In this work, we follow a Trellis-based approach for generating specific execution paths in a deep convolutional neural network. We have designed routing mechanisms that use differentiable information gain-based cost functions to determine which subset of features in a convolutional layer will be executed. We call our method Conditional Information Gain Trellis (CIGT). We show that our conditional execution mechanism achieves comparable or better model performance compared to unconditional baselines, using only a fraction of the computational resources.

Differentiable Architecture Search (DARTS) is a simple yet efficient Neural Architecture Search (NAS) method. During the search stage, DARTS trains a supernet by jointly optimizing architecture parameters and network parameters. During the evaluation stage, DARTS discretizes the supernet to derive the optimal architecture based on architecture parameters. However, recent research has shown that during the training process, the supernet tends to converge towards sharp minima rather than flat minima. This is evidenced by the higher sharpness of the loss landscape of the supernet, which ultimately leads to a performance gap between the supernet and the optimal architecture. In this paper, we propose Self-Distillation Differentiable Neural Architecture Search (SD-DARTS) to alleviate the discretization gap. We utilize self-distillation to distill knowledge from previous steps of the supernet to guide its training in the current step, effectively reducing the sharpness of the supernet's loss and bridging the performance gap between the supernet and the optimal architecture. Furthermore, we introduce the concept of voting teachers, where multiple previous supernets are selected as teachers, and their output probabilities are aggregated through voting to obtain the final teacher prediction. Experimental results on real datasets demonstrate the advantages of our novel self-distillation-based NAS method compared to state-of-the-art alternatives.

Imposing known physical constraints, such as conservation laws, during neural network training introduces an inductive bias that can improve accuracy, reliability, convergence, and data efficiency for modeling physical dynamics. While such constraints can be softly imposed via loss function penalties, recent advancements in differentiable physics and optimization improve performance by incorporating PDE-constrained optimization as individual layers in neural networks. This enables a stricter adherence to physical constraints. However, imposing hard constraints significantly increases computational and memory costs, especially for complex dynamical systems. This is because it requires solving an optimization problem over a large number of points in a mesh, representing spatial and temporal discretizations, which greatly increases the complexity of the constraint. To address this challenge, we develop a scalable approach to enforce hard physical constraints using Mixture-of-Experts (MoE), which can be used with any neural network architecture. Our approach imposes the constraint over smaller decomposed domains, each of which is solved by an "expert" through differentiable optimization. During training, each expert independently performs a localized backpropagation step by leveraging the implicit function theorem; the independence of each expert allows for parallelization across multiple GPUs. Compared to standard differentiable optimization, our scalable approach achieves greater accuracy in the neural PDE solver setting for predicting the dynamics of challenging non-linear systems. We also improve training stability and require significantly less computation time during both training and inference stages.

Efficient distributed training serves as a powerful catalyst and an essential foundation for the development of large-scale neural networks. In distributed training scenarios, various pipeline parallelism methods are cleverly designed and widely employed. In this paper, we propose ZeroPP, a highly efficient and flexible pipeline parallelism method that trades off pipeline bubbles, memory usage, and communication through adaptive scheduling units. ZeroPP achieves minimal pipeline bubbles by carefully staggering the computation tasks of forward, input gradient, and weight gradient within a scheduling unit. Additionally, ZeroPP optimizes the combination of pipeline parallelism and fully sharded data parallelism using a blockwise schedule. We conduct experiments with popular GPT-style models and observe up to a 30% increase in throughput compared to the state-of-the-art breath-first pipeline parallelism. Besides, our evaluation also demonstrates up to a 68% increase in throughput and a 10% reduction in memory consumption compared to the memory-efficient 1F1B method.

Geometric Deep Learning has recently made striking progress with the advent of continuous Deep Implicit Fields. They allow for detailed modeling of watertight surfaces of arbitrary topology while not relying on a 3D Euclidean grid, resulting in a learnable parameterization that is not limited in resolution. Unfortunately, these methods are often not suitable for applications that require an explicit mesh-based surface representation because converting an implicit field to such a representation relies on the Marching Cubes algorithm, which cannot be differentiated with respect to the underlying implicit field. In this work, we remove this limitation and introduce a differentiable way to produce explicit surface mesh representations from Deep Signed Distance Functions. Our key insight is that by reasoning on how implicit field perturbations impact local surface geometry, one can ultimately differentiate the 3D location of surface samples with respect to the underlying deep implicit field. We exploit this to define MeshSDF, an end-to-end differentiable mesh representation which can vary its topology. We use two different applications to validate our theoretical insight: Single-View Reconstruction via Differentiable Rendering and Physically-Driven Shape Optimization. In both cases our differentiable parameterization gives us an edge over state-of-the-art algorithms.

Architecture optimization, which is a technique for finding an efficient neural network that meets certain requirements, generally reduces to a set of multiple-choice selection problems among alternative sub-structures or parameters. The discrete nature of the selection problem, however, makes this optimization difficult. To tackle this problem we introduce a novel concept of a trainable gate function. The trainable gate function, which confers a differentiable property to discretevalued variables, allows us to directly optimize loss functions that include non-differentiable discrete values such as 0-1 selection. The proposed trainable gate can be applied to pruning. Pruning can be carried out simply by appending the proposed trainable gate functions to each intermediate output tensor followed by fine-tuning the overall model, using any gradient-based training methods. So the proposed method can jointly optimize the selection of the pruned channels while fine-tuning the weights of the pruned model at the same time. Our experimental results demonstrate that the proposed method efficiently optimizes arbitrary neural networks in various tasks such as image classification, style transfer, optical flow estimation, and neural machine translation.

Sorting is a fundamental operation of all computer systems, having been a long-standing significant research topic. Beyond the problem formulation of traditional sorting algorithms, we consider sorting problems for more abstract yet expressive inputs, e.g., multi-digit images and image fragments, through a neural sorting network. To learn a mapping from a high-dimensional input to an ordinal variable, the differentiability of sorting networks needs to be guaranteed. In this paper we define a softening error by a differentiable swap function, and develop an error-free swap function that holds a non-decreasing condition and differentiability. Furthermore, a permutation-equivariant Transformer network with multi-head attention is adopted to capture dependency between given inputs and also leverage its model capacity with self-attention. Experiments on diverse sorting benchmarks show that our methods perform better than or comparable to baseline methods.

This paper introduces Bayesian Flow Networks (BFNs), a new class of generative model in which the parameters of a set of independent distributions are modified with Bayesian inference in the light of noisy data samples, then passed as input to a neural network that outputs a second, interdependent distribution. Starting from a simple prior and iteratively updating the two distributions yields a generative procedure similar to the reverse process of diffusion models; however it is conceptually simpler in that no forward process is required. Discrete and continuous-time loss functions are derived for continuous, discretised and discrete data, along with sample generation procedures. Notably, the network inputs for discrete data lie on the probability simplex, and are therefore natively differentiable, paving the way for gradient-based sample guidance and few-step generation in discrete domains such as language modelling. The loss function directly optimises data compression and places no restrictions on the network architecture. In our experiments BFNs achieve competitive log-likelihoods for image modelling on dynamically binarized MNIST and CIFAR-10, and outperform all known discrete diffusion models on the text8 character-level language modelling task.

We present Piecewise Rectified Flow (PeRFlow), a flow-based method for accelerating diffusion models. PeRFlow divides the sampling process of generative flows into several time windows and straightens the trajectories in each interval via the reflow operation, thereby approaching piecewise linear flows. PeRFlow achieves superior performance in a few-step generation. Moreover, through dedicated parameterizations, the obtained PeRFlow models show advantageous transfer ability, serving as universal plug-and-play accelerators that are compatible with various workflows based on the pre-trained diffusion models. The implementations of training and inference are fully open-sourced. https://github.com/magic-research/piecewise-rectified-flow

Classifier-free guidance is a key component for enhancing the performance of conditional generative models across diverse tasks. While it has previously demonstrated remarkable improvements for the sample quality, it has only been exclusively employed for diffusion models. In this paper, we integrate classifier-free guidance into Flow Matching (FM) models, an alternative simulation-free approach that trains Continuous Normalizing Flows (CNFs) based on regressing vector fields. We explore the usage of Guided Flows for a variety of downstream applications. We show that Guided Flows significantly improves the sample quality in conditional image generation and zero-shot text-to-speech synthesis, boasting state-of-the-art performance. Notably, we are the first to apply flow models for plan generation in the offline reinforcement learning setting, showcasing a 10x speedup in computation compared to diffusion models while maintaining comparable performance.

Generative Flow Networks or GFlowNets are related to Monte-Carlo Markov chain methods (as they sample from a distribution specified by an energy function), reinforcement learning (as they learn a policy to sample composed objects through a sequence of steps), generative models (as they learn to represent and sample from a distribution) and amortized variational methods (as they can be used to learn to approximate and sample from an otherwise intractable posterior, given a prior and a likelihood). They are trained to generate an object x through a sequence of steps with probability proportional to some reward function R(x) (or exp(-E(x)) with E(x) denoting the energy function), given at the end of the generative trajectory. Like for other RL settings where the reward is only given at the end, the efficiency of training and credit assignment may suffer when those trajectories are longer. With previous GFlowNet work, no learning was possible from incomplete trajectories (lacking a terminal state and the computation of the associated reward). In this paper, we consider the case where the energy function can be applied not just to terminal states but also to intermediate states. This is for example achieved when the energy function is additive, with terms available along the trajectory. We show how to reparameterize the GFlowNet state flow function to take advantage of the partial reward already accrued at each state. This enables a training objective that can be applied to update parameters even with incomplete trajectories. Even when complete trajectories are available, being able to obtain more localized credit and gradients is found to speed up training convergence, as demonstrated across many simulations.

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

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.

Generative Flow Networks (GFlowNets) are amortized samplers that learn stochastic policies to sequentially generate compositional objects from a given unnormalized reward distribution. They can generate diverse sets of high-reward objects, which is an important consideration in scientific discovery tasks. However, as they are typically trained from a given extrinsic reward function, it remains an important open challenge about how to leverage the power of pre-training and train GFlowNets in an unsupervised fashion for efficient adaptation to downstream tasks. Inspired by recent successes of unsupervised pre-training in various domains, we introduce a novel approach for reward-free pre-training of GFlowNets. By framing the training as a self-supervised problem, we propose an outcome-conditioned GFlowNet (OC-GFN) that learns to explore the candidate space. Specifically, OC-GFN learns to reach any targeted outcomes, akin to goal-conditioned policies in reinforcement learning. We show that the pre-trained OC-GFN model can allow for a direct extraction of a policy capable of sampling from any new reward functions in downstream tasks. Nonetheless, adapting OC-GFN on a downstream task-specific reward involves an intractable marginalization over possible outcomes. We propose a novel way to approximate this marginalization by learning an amortized predictor enabling efficient fine-tuning. Extensive experimental results validate the efficacy of our approach, demonstrating the effectiveness of pre-training the OC-GFN, and its ability to swiftly adapt to downstream tasks and discover modes more efficiently. This work may serve as a foundation for further exploration of pre-training strategies in the context of GFlowNets.

Machine learning is a general-purpose technology holding promises for many interdisciplinary research problems. However, significant barriers exist in crossing disciplinary boundaries when most machine learning tools are developed in different areas separately. We present Pykale - a Python library for knowledge-aware machine learning on graphs, images, texts, and videos to enable and accelerate interdisciplinary research. We formulate new green machine learning guidelines based on standard software engineering practices and propose a novel pipeline-based application programming interface (API). PyKale focuses on leveraging knowledge from multiple sources for accurate and interpretable prediction, thus supporting multimodal learning and transfer learning (particularly domain adaptation) with latest deep learning and dimensionality reduction models. We build PyKale on PyTorch and leverage the rich PyTorch ecosystem. Our pipeline-based API design enforces standardization and minimalism, embracing green machine learning concepts via reducing repetitions and redundancy, reusing existing resources, and recycling learning models across areas. We demonstrate its interdisciplinary nature via examples in bioinformatics, knowledge graph, image/video recognition, and medical imaging.

Large language models have led to state-of-the-art accuracies across a range of tasks. However, training these models efficiently is challenging for two reasons: a) GPU memory capacity is limited, making it impossible to fit large models on even a multi-GPU server, and b) the number of compute operations required to train these models can result in unrealistically long training times. Consequently, new methods of model parallelism such as tensor and pipeline parallelism have been proposed. Unfortunately, naive usage of these methods leads to fundamental scaling issues at thousands of GPUs, e.g., due to expensive cross-node communication or devices spending significant time waiting on other devices to make progress. In this paper, we show how different types of parallelism methods (tensor, pipeline, and data parallelism) can be composed to scale to thousands of GPUs and models with trillions of parameters. We survey techniques for pipeline parallelism and propose a novel interleaved pipeline parallelism schedule that can improve throughput by 10+% with memory footprint comparable to existing approaches. We quantitatively study the trade-offs between tensor, pipeline, and data parallelism, and provide intuition as to how to configure distributed training of a large model. Our approach allows us to perform training iterations on a model with 1 trillion parameters at 502 petaFLOP/s on 3072 GPUs with achieved per-GPU throughput of 52% of theoretical peak. Our code is open sourced at https://github.com/nvidia/megatron-lm.

The advent of the transformer has sparked a quick growth in the size of language models, far outpacing hardware improvements. (Dense) transformers are expected to reach the trillion-parameter scale in the near future, for which training requires thousands or even tens of thousands of GPUs. We investigate the challenges of training at this scale and beyond on commercially available hardware. In particular, we analyse the shortest possible training time for different configurations of distributed training, leveraging empirical scaling laws for language models to estimate the optimal (critical) batch size. Contrary to popular belief, we find no evidence for a memory wall, and instead argue that the real limitation -- other than the cost -- lies in the training duration. In addition to this analysis, we introduce two new methods, layered gradient accumulation and modular pipeline parallelism, which together cut the shortest training time by half. The methods also reduce data movement, lowering the network requirement to a point where a fast InfiniBand connection is not necessary. This increased network efficiency also improve on the methods introduced with the ZeRO optimizer, reducing the memory usage to a tiny fraction of the available GPU memory.

We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic processes to model approximate samples from these target densities. The main drawback of these approaches is that the training objective requires full trajectories to compute, resulting in sluggish credit assignment issues due to use of entire trajectories and a learning signal present only at the terminal time. In this work, we present Diffusion Generative Flow Samplers (DGFS), a sampling-based framework where the learning process can be tractably broken down into short partial trajectory segments, via parameterizing an additional "flow function". Our method takes inspiration from the theory developed for generative flow networks (GFlowNets), allowing us to make use of intermediate learning signals. Through various challenging experiments, we demonstrate that DGFS achieves more accurate estimates of the normalization constant than closely-related prior methods.

Neural networks have become an increasingly popular tool for solving many real-world problems. They are a general framework for differentiable optimization which includes many other machine learning approaches as special cases. In this thesis we build a category-theoretic formalism around a class of neural networks exemplified by CycleGAN. CycleGAN is a collection of neural networks, closed under composition, whose inductive bias is increased by enforcing composition invariants, i.e. cycle-consistencies. Inspired by Functorial Data Migration, we specify the interconnection of these networks using a categorical schema, and network instances as set-valued functors on this schema. We also frame neural network architectures, datasets, models, and a number of other concepts in a categorical setting and thus show a special class of functors, rather than functions, can be learned using gradient descent. We use the category-theoretic framework to conceive a novel neural network architecture whose goal is to learn the task of object insertion and object deletion in images with unpaired data. We test the architecture on three different datasets and obtain promising results.

We introduce a new paradigm for generative modeling built on Continuous Normalizing Flows (CNFs), allowing us to train CNFs at unprecedented scale. Specifically, we present the notion of Flow Matching (FM), a simulation-free approach for training CNFs based on regressing vector fields of fixed conditional probability paths. Flow Matching is compatible with a general family of Gaussian probability paths for transforming between noise and data samples -- which subsumes existing diffusion paths as specific instances. Interestingly, we find that employing FM with diffusion paths results in a more robust and stable alternative for training diffusion models. Furthermore, Flow Matching opens the door to training CNFs with other, non-diffusion probability paths. An instance of particular interest is using Optimal Transport (OT) displacement interpolation to define the conditional probability paths. These paths are more efficient than diffusion paths, provide faster training and sampling, and result in better generalization. Training CNFs using Flow Matching on ImageNet leads to consistently better performance than alternative diffusion-based methods in terms of both likelihood and sample quality, and allows fast and reliable sample generation using off-the-shelf numerical ODE solvers.

Differentiable architecture search (DARTS) provided a fast solution in finding effective network architectures, but suffered from large memory and computing overheads in jointly training a super-network and searching for an optimal architecture. In this paper, we present a novel approach, namely, Partially-Connected DARTS, by sampling a small part of super-network to reduce the redundancy in exploring the network space, thereby performing a more efficient search without comprising the performance. In particular, we perform operation search in a subset of channels while bypassing the held out part in a shortcut. This strategy may suffer from an undesired inconsistency on selecting the edges of super-net caused by sampling different channels. We alleviate it using edge normalization, which adds a new set of edge-level parameters to reduce uncertainty in search. Thanks to the reduced memory cost, PC-DARTS can be trained with a larger batch size and, consequently, enjoys both faster speed and higher training stability. Experimental results demonstrate the effectiveness of the proposed method. Specifically, we achieve an error rate of 2.57% on CIFAR10 with merely 0.1 GPU-days for architecture search, and a state-of-the-art top-1 error rate of 24.2% on ImageNet (under the mobile setting) using 3.8 GPU-days for search. Our code has been made available at: https://github.com/yuhuixu1993/PC-DARTS.

Sparsely-gated mixture-of-experts (MoE) has been widely adopted to scale deep learning models to trillion-plus parameters with fixed computational cost. The algorithmic performance of MoE relies on its token routing mechanism that forwards each input token to the right sub-models or experts. While token routing dynamically determines the amount of expert workload at runtime, existing systems suffer inefficient computation due to their static execution, namely static parallelism and pipelining, which does not adapt to the dynamic workload. We present Flex, a highly scalable stack design and implementation for MoE with dynamically adaptive parallelism and pipelining. Flex designs an identical layout for distributing MoE model parameters and input data, which can be leveraged by all possible parallelism or pipelining methods without any mathematical inequivalence or tensor migration overhead. This enables adaptive parallelism/pipelining optimization at zero cost during runtime. Based on this key design, Flex also implements various MoE acceleration techniques. Aggregating all techniques, Flex finally delivers huge speedup at any scale -- 4.96x and 5.75x speedup of a single MoE layer over 16 and 2,048 A100 GPUs, respectively, over the previous state-of-the-art. Our evaluation shows that Flex efficiently and effectively runs a real-world MoE-based model named SwinV2-MoE, built upon Swin Transformer V2, a state-of-the-art computer vision architecture. On efficiency, Flex accelerates SwinV2-MoE, achieving up to 1.55x and 2.11x speedup in training and inference over Fairseq, respectively. On effectiveness, the SwinV2-MoE model achieves superior accuracy in both pre-training and down-stream computer vision tasks such as COCO object detection than the counterpart dense model, indicating the readiness of Flex for end-to-end real-world model training and inference.

Discovering causal structures from data is a challenging inference problem of fundamental importance in all areas of science. The appealing properties of neural networks have recently led to a surge of interest in differentiable neural network-based methods for learning causal structures from data. So far, differentiable causal discovery has focused on static datasets of observational or fixed interventional origin. In this work, we introduce an active intervention targeting (AIT) method which enables a quick identification of the underlying causal structure of the data-generating process. Our method significantly reduces the required number of interactions compared with random intervention targeting and is applicable for both discrete and continuous optimization formulations of learning the underlying directed acyclic graph (DAG) from data. We examine the proposed method across multiple frameworks in a wide range of settings and demonstrate superior performance on multiple benchmarks from simulated to real-world data.

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

We introduce Lagrangian Flow Networks (LFlows) for modeling fluid densities and velocities continuously in space and time. By construction, the proposed LFlows satisfy the continuity equation, a PDE describing mass conservation in its differentiable form. Our model is based on the insight that solutions to the continuity equation can be expressed as time-dependent density transformations via differentiable and invertible maps. This follows from classical theory of the existence and uniqueness of Lagrangian flows for smooth vector fields. Hence, we model fluid densities by transforming a base density with parameterized diffeomorphisms conditioned on time. The key benefit compared to methods relying on numerical ODE solvers or PINNs is that the analytic expression of the velocity is always consistent with changes in density. Furthermore, we require neither expensive numerical solvers, nor additional penalties to enforce the PDE. LFlows show higher predictive accuracy in density modeling tasks compared to competing models in 2D and 3D, while being computationally efficient. As a real-world application, we model bird migration based on sparse weather radar measurements.

Taming the generation outcome of state of the art Diffusion and Flow-Matching (FM) models without having to re-train a task-specific model unlocks a powerful tool for solving inverse problems, conditional generation, and controlled generation in general. In this work we introduce D-Flow, a simple framework for controlling the generation process by differentiating through the flow, optimizing for the source (noise) point. We motivate this framework by our key observation stating that for Diffusion/FM models trained with Gaussian probability paths, differentiating through the generation process projects gradient on the data manifold, implicitly injecting the prior into the optimization process. We validate our framework on linear and non-linear controlled generation problems including: image and audio inverse problems and conditional molecule generation reaching state of the art performance across all.

Real-world analog systems intrinsically suffer from noise that can impede model convergence and accuracy on a variety of deep learning models. We demonstrate that differentiable activations like GELU and SiLU enable robust propagation of gradients which help to mitigate analog quantization error that is ubiquitous to all analog systems. We perform analysis and training of convolutional, linear, and transformer networks in the presence of quantized noise. Here, we are able to demonstrate that continuously differentiable activation functions are significantly more noise resilient over conventional rectified activations. As in the case of ReLU, the error in gradients are 100x higher than those in GELU near zero. Our findings provide guidance for selecting appropriate activations to realize performant and reliable hardware implementations across several machine learning domains such as computer vision, signal processing, and beyond.

ML models often exhibit unexpectedly poor behavior when they are deployed in real-world domains. We identify underspecification as a key reason for these failures. An ML pipeline is underspecified when it can return many predictors with equivalently strong held-out performance in the training domain. Underspecification is common in modern ML pipelines, such as those based on deep learning. Predictors returned by underspecified pipelines are often treated as equivalent based on their training domain performance, but we show here that such predictors can behave very differently in deployment domains. This ambiguity can lead to instability and poor model behavior in practice, and is a distinct failure mode from previously identified issues arising from structural mismatch between training and deployment domains. We show that this problem appears in a wide variety of practical ML pipelines, using examples from computer vision, medical imaging, natural language processing, clinical risk prediction based on electronic health records, and medical genomics. Our results show the need to explicitly account for underspecification in modeling pipelines that are intended for real-world deployment in any domain.

We delve into the physics-informed neural reconstruction of smoke and obstacles through sparse-view RGB videos, tackling challenges arising from limited observation of complex dynamics. Existing physics-informed neural networks often emphasize short-term physics constraints, leaving the proper preservation of long-term conservation less explored. We introduce Neural Characteristic Trajectory Fields, a novel representation utilizing Eulerian neural fields to implicitly model Lagrangian fluid trajectories. This topology-free, auto-differentiable representation facilitates efficient flow map calculations between arbitrary frames as well as efficient velocity extraction via auto-differentiation. Consequently, it enables end-to-end supervision covering long-term conservation and short-term physics priors. Building on the representation, we propose physics-informed trajectory learning and integration into NeRF-based scene reconstruction. We enable advanced obstacle handling through self-supervised scene decomposition and seamless integrated boundary constraints. Our results showcase the ability to overcome challenges like occlusion uncertainty, density-color ambiguity, and static-dynamic entanglements. Code and sample tests are at https://github.com/19reborn/PICT_smoke.

Normalizing Flows (NFs) are likelihood-based models for continuous inputs. They have demonstrated promising results on both density estimation and generative modeling tasks, but have received relatively little attention in recent years. In this work, we demonstrate that NFs are more powerful than previously believed. We present TarFlow: a simple and scalable architecture that enables highly performant NF models. TarFlow can be thought of as a Transformer-based variant of Masked Autoregressive Flows (MAFs): it consists of a stack of autoregressive Transformer blocks on image patches, alternating the autoregression direction between layers. TarFlow is straightforward to train end-to-end, and capable of directly modeling and generating pixels. We also propose three key techniques to improve sample quality: Gaussian noise augmentation during training, a post training denoising procedure, and an effective guidance method for both class-conditional and unconditional settings. Putting these together, TarFlow sets new state-of-the-art results on likelihood estimation for images, beating the previous best methods by a large margin, and generates samples with quality and diversity comparable to diffusion models, for the first time with a stand-alone NF model. We make our code available at https://github.com/apple/ml-tarflow.

We present NablAFx, an open-source framework developed to support research in differentiable black-box and gray-box modeling of audio effects. Built in PyTorch, NablAFx offers a versatile ecosystem to configure, train, evaluate, and compare various architectural approaches. It includes classes to manage model architectures, datasets, and training, along with features to compute and log losses, metrics and media, and plotting functions to facilitate detailed analysis. It incorporates implementations of established black-box architectures and conditioning methods, as well as differentiable DSP blocks and controllers, enabling the creation of both parametric and non-parametric gray-box signal chains. The code is accessible at https://github.com/mcomunita/nablafx.

The rapid growth in machine learning models, especially in natural language processing and computer vision, has led to challenges when running these models on hardware with limited resources. This paper introduces Superpipeline, a new framework designed to optimize the execution of large AI models on constrained hardware during both training and inference. Our approach involves dynamically managing model execution by dividing models into individual layers and efficiently transferring these layers between GPU and CPU memory. Superpipeline reduces GPU memory usage by up to 60% in our experiments while maintaining model accuracy and acceptable processing speeds. This allows models that would otherwise exceed available GPU memory to run effectively. Unlike existing solutions that focus mainly on inference or specific model types, Superpipeline can be applied to large language models (LLMs), vision-language models (VLMs), and vision-based models. We tested Superpipeline's performance across various models and hardware setups. The method includes two key parameters that allow fine-tuning the balance between GPU memory use and processing speed. Importantly, Superpipeline does not require retraining or changing model parameters, ensuring that the original model's output remains unchanged. Superpipeline's simplicity and flexibility make it useful for researchers and professionals working with advanced AI models on limited hardware. It enables the use of larger models or bigger batch sizes on existing hardware, potentially speeding up innovation across many machine learning applications. This work marks an important step toward making advanced AI models more accessible and optimizing their deployment in resource-limited environments. The code for Superpipeline is available at https://github.com/abbasiReza/super-pipeline.

Albeit being a prevalent architecture searching approach, differentiable architecture search (DARTS) is largely hindered by its substantial memory cost since the entire supernet resides in the memory. This is where the single-path DARTS comes in, which only chooses a single-path submodel at each step. While being memory-friendly, it also comes with low computational costs. Nonetheless, we discover a critical issue of single-path DARTS that has not been primarily noticed. Namely, it also suffers from severe performance collapse since too many parameter-free operations like skip connections are derived, just like DARTS does. In this paper, we propose a new algorithm called RObustifying Memory-Efficient NAS (ROME) to give a cure. First, we disentangle the topology search from the operation search to make searching and evaluation consistent. We then adopt Gumbel-Top2 reparameterization and gradient accumulation to robustify the unwieldy bi-level optimization. We verify ROME extensively across 15 benchmarks to demonstrate its effectiveness and robustness.

Diffusion models have shown great promise for image and video generation, but sampling from state-of-the-art models requires expensive numerical integration of a generative ODE. One approach for tackling this problem is rectified flows, which iteratively learn smooth ODE paths that are less susceptible to truncation error. However, rectified flows still require a relatively large number of function evaluations (NFEs). In this work, we propose improved techniques for training rectified flows, allowing them to compete with knowledge distillation methods even in the low NFE setting. Our main insight is that under realistic settings, a single iteration of the Reflow algorithm for training rectified flows is sufficient to learn nearly straight trajectories; hence, the current practice of using multiple Reflow iterations is unnecessary. We thus propose techniques to improve one-round training of rectified flows, including a U-shaped timestep distribution and LPIPS-Huber premetric. With these techniques, we improve the FID of the previous 2-rectified flow by up to 72% in the 1 NFE setting on CIFAR-10. On ImageNet 64times64, our improved rectified flow outperforms the state-of-the-art distillation methods such as consistency distillation and progressive distillation in both one-step and two-step settings and rivals the performance of improved consistency training (iCT) in FID. Code is available at https://github.com/sangyun884/rfpp.

Diffusion models have greatly improved visual generation but are hindered by slow generation speed due to the computationally intensive nature of solving generative ODEs. Rectified flow, a widely recognized solution, improves generation speed by straightening the ODE path. Its key components include: 1) using the diffusion form of flow-matching, 2) employing boldsymbol v-prediction, and 3) performing rectification (a.k.a. reflow). In this paper, we argue that the success of rectification primarily lies in using a pretrained diffusion model to obtain matched pairs of noise and samples, followed by retraining with these matched noise-sample pairs. Based on this, components 1) and 2) are unnecessary. Furthermore, we highlight that straightness is not an essential training target for rectification; rather, it is a specific case of flow-matching models. The more critical training target is to achieve a first-order approximate ODE path, which is inherently curved for models like DDPM and Sub-VP. Building on this insight, we propose Rectified Diffusion, which generalizes the design space and application scope of rectification to encompass the broader category of diffusion models, rather than being restricted to flow-matching models. We validate our method on Stable Diffusion v1-5 and Stable Diffusion XL. Our method not only greatly simplifies the training procedure of rectified flow-based previous works (e.g., InstaFlow) but also achieves superior performance with even lower training cost. Our code is available at https://github.com/G-U-N/Rectified-Diffusion.

Automatic differentiation (AD) in reverse mode (RAD) is a central component of deep learning and other uses of large-scale optimization. Commonly used RAD algorithms such as backpropagation, however, are complex and stateful, hindering deep understanding, improvement, and parallel execution. This paper develops a simple, generalized AD algorithm calculated from a simple, natural specification. The general algorithm is then specialized by varying the representation of derivatives. In particular, applying well-known constructions to a naive representation yields two RAD algorithms that are far simpler than previously known. In contrast to commonly used RAD implementations, the algorithms defined here involve no graphs, tapes, variables, partial derivatives, or mutation. They are inherently parallel-friendly, correct by construction, and usable directly from an existing programming language with no need for new data types or programming style, thanks to use of an AD-agnostic compiler plugin.

We show how to transform a non-differentiable rasterizer into a differentiable one with minimal engineering efforts and no external dependencies (no Pytorch/Tensorflow). We rely on Stochastic Gradient Estimation, a technique that consists of rasterizing after randomly perturbing the scene's parameters such that their gradient can be stochastically estimated and descended. This method is simple and robust but does not scale in dimensionality (number of scene parameters). Our insight is that the number of parameters contributing to a given rasterized pixel is bounded. Estimating and averaging gradients on a per-pixel basis hence bounds the dimensionality of the underlying optimization problem and makes the method scalable. Furthermore, it is simple to track per-pixel contributing parameters by rasterizing ID- and UV-buffers, which are trivial additions to a rasterization engine if not already available. With these minor modifications, we obtain an in-engine optimizer for 3D assets with millions of geometry and texture parameters.

We explore a data-driven approach for learning to optimize neural networks. We construct a dataset of neural network checkpoints and train a generative model on the parameters. In particular, our model is a conditional diffusion transformer that, given an initial input parameter vector and a prompted loss, error, or return, predicts the distribution over parameter updates that achieve the desired metric. At test time, it can optimize neural networks with unseen parameters for downstream tasks in just one update. We find that our approach successfully generates parameters for a wide range of loss prompts. Moreover, it can sample multimodal parameter solutions and has favorable scaling properties. We apply our method to different neural network architectures and tasks in supervised and reinforcement learning.

Vector Quantized Variational AutoEncoders (VQ-VAEs) are designed to compress a continuous input to a discrete latent space and reconstruct it with minimal distortion. They operate by maintaining a set of vectors -- often referred to as the codebook -- and quantizing each encoder output to the nearest vector in the codebook. However, as vector quantization is non-differentiable, the gradient to the encoder flows around the vector quantization layer rather than through it in a straight-through approximation. This approximation may be undesirable as all information from the vector quantization operation is lost. In this work, we propose a way to propagate gradients through the vector quantization layer of VQ-VAEs. We smoothly transform each encoder output into its corresponding codebook vector via a rotation and rescaling linear transformation that is treated as a constant during backpropagation. As a result, the relative magnitude and angle between encoder output and codebook vector becomes encoded into the gradient as it propagates through the vector quantization layer and back to the encoder. Across 11 different VQ-VAE training paradigms, we find this restructuring improves reconstruction metrics, codebook utilization, and quantization error. Our code is available at https://github.com/cfifty/rotation_trick.

We introduce DIFFTACTILE, a physics-based differentiable tactile simulation system designed to enhance robotic manipulation with dense and physically accurate tactile feedback. In contrast to prior tactile simulators which primarily focus on manipulating rigid bodies and often rely on simplified approximations to model stress and deformations of materials in contact, DIFFTACTILE emphasizes physics-based contact modeling with high fidelity, supporting simulations of diverse contact modes and interactions with objects possessing a wide range of material properties. Our system incorporates several key components, including a Finite Element Method (FEM)-based soft body model for simulating the sensing elastomer, a multi-material simulator for modeling diverse object types (such as elastic, elastoplastic, cables) under manipulation, a penalty-based contact model for handling contact dynamics. The differentiable nature of our system facilitates gradient-based optimization for both 1) refining physical properties in simulation using real-world data, hence narrowing the sim-to-real gap and 2) efficient learning of tactile-assisted grasping and contact-rich manipulation skills. Additionally, we introduce a method to infer the optical response of our tactile sensor to contact using an efficient pixel-based neural module. We anticipate that DIFFTACTILE will serve as a useful platform for studying contact-rich manipulations, leveraging the benefits of dense tactile feedback and differentiable physics. Code and supplementary materials are available at the project website https://difftactile.github.io/.

Nowadays transformer-based Large Language Models (LLM) for code generation tasks usually apply sampling and filtering pipelines. Due to the sparse reward problem in code generation tasks caused by one-token incorrectness, transformer-based models will sample redundant programs till they find a correct one, leading to low efficiency. To overcome the challenge, we incorporate Experience Replay (ER) in the fine-tuning phase, where codes and programs produced are stored and will be replayed to give the LLM agent a chance to learn from past experiences. Based on the spirit of ER, we introduce a novel approach called BTP pipeline which consists of three phases: beam search sampling, testing phase, and prioritized experience replay phase. The approach makes use of failed programs collected by code models and replays programs with high Possibility and Pass-rate Prioritized value (P2Value) from the replay buffer to improve efficiency. P2Value comprehensively considers the possibility of transformers' output and pass rate and can make use of the redundant resources caused by the problem that most programs collected by LLMs fail to pass any tests. We empirically apply our approach in several LLMs, demonstrating that it enhances their performance in code generation tasks and surpasses existing baselines.

Diffusion-based text-to-image models ignited immense attention from the vision community, artists, and content creators. Broad adoption of these models is due to significant improvement in the quality of generations and efficient conditioning on various modalities, not just text. However, lifting the rich generative priors of these 2D models into 3D is challenging. Recent works have proposed various pipelines powered by the entanglement of diffusion models and neural fields. We explore the power of pretrained 2D diffusion models and standard 3D neural radiance fields as independent, standalone tools and demonstrate their ability to work together in a non-learned fashion. Such modularity has the intrinsic advantage of eased partial upgrades, which became an important property in such a fast-paced domain. Our pipeline accepts any legacy renderable geometry, such as textured or untextured meshes, orchestrates the interaction between 2D generative refinement and 3D consistency enforcement tools, and outputs a painted input geometry in several formats. We conduct a large-scale study on a wide range of objects and categories from the ShapeNetSem dataset and demonstrate the advantages of our approach, both qualitatively and quantitatively. Project page: https://www.obukhov.ai/repainting_3d_assets

Customizing diffusion models to generate identity-preserving images from user-provided reference images is an intriguing new problem. The prevalent approaches typically require training on extensive domain-specific images to achieve identity preservation, which lacks flexibility across different use cases. To address this issue, we exploit classifier guidance, a training-free technique that steers diffusion models using an existing classifier, for personalized image generation. Our study shows that based on a recent rectified flow framework, the major limitation of vanilla classifier guidance in requiring a special classifier can be resolved with a simple fixed-point solution, allowing flexible personalization with off-the-shelf image discriminators. Moreover, its solving procedure proves to be stable when anchored to a reference flow trajectory, with a convergence guarantee. The derived method is implemented on rectified flow with different off-the-shelf image discriminators, delivering advantageous personalization results for human faces, live subjects, and certain objects. Code is available at https://github.com/feifeiobama/RectifID.

Automatic differentiation (autodiff) has revolutionized machine learning. It allows to express complex computations by composing elementary ones in creative ways and removes the burden of computing their derivatives by hand. More recently, differentiation of optimization problem solutions has attracted widespread attention with applications such as optimization layers, and in bi-level problems such as hyper-parameter optimization and meta-learning. However, so far, implicit differentiation remained difficult to use for practitioners, as it often required case-by-case tedious mathematical derivations and implementations. In this paper, we propose automatic implicit differentiation, an efficient and modular approach for implicit differentiation of optimization problems. In our approach, the user defines directly in Python a function F capturing the optimality conditions of the problem to be differentiated. Once this is done, we leverage autodiff of F and the implicit function theorem to automatically differentiate the optimization problem. Our approach thus combines the benefits of implicit differentiation and autodiff. It is efficient as it can be added on top of any state-of-the-art solver and modular as the optimality condition specification is decoupled from the implicit differentiation mechanism. We show that seemingly simple principles allow to recover many existing implicit differentiation methods and create new ones easily. We demonstrate the ease of formulating and solving bi-level optimization problems using our framework. We also showcase an application to the sensitivity analysis of molecular dynamics.

Large language models (LLMs) have demonstrated strong capabilities across various language tasks, notably through instruction-tuning methods. However, LLMs face challenges in visualizing complex, real-world data through charts and plots. Firstly, existing datasets rarely cover a full range of chart types, such as 3D, volumetric, and gridded charts. Secondly, supervised fine-tuning methods do not fully leverage the intricate relationships within rich datasets, including text, code, and figures. To address these challenges, we propose a hierarchical pipeline and a new dataset for chart generation. Our dataset, Text2Chart31, includes 31 unique plot types referring to the Matplotlib library, with 11.1K tuples of descriptions, code, data tables, and plots. Moreover, we introduce a reinforcement learning-based instruction tuning technique for chart generation tasks without requiring human feedback. Our experiments show that this approach significantly enhances the model performance, enabling smaller models to outperform larger open-source models and be comparable to state-of-the-art proprietary models in data visualization tasks. We make the code and dataset available at https://github.com/fatemehpesaran310/Text2Chart31.

We present a differentiable approach to learn the probabilistic factors used for inference by a nonparametric belief propagation algorithm. Existing nonparametric belief propagation methods rely on domain-specific features encoded in the probabilistic factors of a graphical model. In this work, we replace each crafted factor with a differentiable neural network enabling the factors to be learned using an efficient optimization routine from labeled data. By combining differentiable neural networks with an efficient belief propagation algorithm, our method learns to maintain a set of marginal posterior samples using end-to-end training. We evaluate our differentiable nonparametric belief propagation (DNBP) method on a set of articulated pose tracking tasks and compare performance with learned baselines. Results from these experiments demonstrate the effectiveness of using learned factors for tracking and suggest the practical advantage over hand-crafted approaches. The project webpage is available at: https://progress.eecs.umich.edu/projects/dnbp/ .

Calorie and nutrition research has attained increased interest in recent years. But, due to the complexity of the problem, literature in this area focuses on a limited subset of ingredients or dish types and simple convolutional neural networks or traditional machine learning. Simultaneously, estimation of ingredient portions can help improve calorie estimation and meal re-production from a given image. In this paper, given a single cooking image, a pipeline for calorie estimation and meal re-production for different servings of the meal is proposed. The pipeline contains two stages. In the first stage, a set of ingredients associated with the meal in the given image are predicted. In the second stage, given image features and ingredients, portions of the ingredients and finally the total meal calorie are simultaneously estimated using a deep transformer-based model. Portion estimation introduced in the model helps improve calorie estimation and is also beneficial for meal re-production in different serving sizes. To demonstrate the benefits of the pipeline, the model can be used for meal kits generation. To evaluate the pipeline, the large scale dataset Recipe1M is used. Prior to experiments, the Recipe1M dataset is parsed and explicitly annotated with portions of ingredients. Experiments show that using ingredients and their portions significantly improves calorie estimation. Also, a visual interface is created in which a user can interact with the pipeline to reach accurate calorie estimations and generate a meal kit for cooking purposes.

Pipeline parallelism has been widely explored, but most existing schedules lack a systematic methodology. In this paper, we propose a framework to decompose pipeline schedules as repeating a building block and we show that the lifespan of the building block decides the peak activation memory of the pipeline schedule. Guided by the observations, we find that almost all existing pipeline schedules, to the best of our knowledge, are memory inefficient. To address this, we introduce a family of memory efficient building blocks with controllable activation memory, which can reduce the peak activation memory to 1/2 of 1F1B without sacrificing efficiency, and even to 1/3 with comparable throughput. We can also achieve almost zero pipeline bubbles while maintaining the same activation memory as 1F1B. Our evaluations demonstrate that in pure pipeline parallelism settings, our methods outperform 1F1B by from 7% to 55% in terms of throughput. When employing a grid search over hybrid parallelism hyperparameters in practical scenarios, our proposed methods demonstrate a 16% throughput improvement over the 1F1B baseline for large language models.

Optimization and generalization are two essential aspects of statistical machine learning. In this paper, we propose a framework to connect optimization with generalization by analyzing the generalization error based on the optimization trajectory under the gradient flow algorithm. The key ingredient of this framework is the Uniform-LGI, a property that is generally satisfied when training machine learning models. Leveraging the Uniform-LGI, we first derive convergence rates for gradient flow algorithm, then we give generalization bounds for a large class of machine learning models. We further apply our framework to three distinct machine learning models: linear regression, kernel regression, and two-layer neural networks. Through our approach, we obtain generalization estimates that match or extend previous results.

This paper investigates the distinctions between gradient methods applied to non-differentiable functions (NGDMs) and classical gradient descents (GDs) designed for differentiable functions. First, we demonstrate significant differences in the convergence properties of NGDMs compared to GDs, challenging the applicability of the extensive neural network convergence literature based on L-smoothness to non-smooth neural networks. Next, we demonstrate the paradoxical nature of NGDM solutions for L_{1}-regularized problems, showing that increasing the regularization penalty leads to an increase in the L_{1} norm of optimal solutions in NGDMs. Consequently, we show that widely adopted L_{1} penalization-based techniques for network pruning do not yield expected results. Finally, we explore the Edge of Stability phenomenon, indicating its inapplicability even to Lipschitz continuous convex differentiable functions, leaving its relevance to non-convex non-differentiable neural networks inconclusive. Our analysis exposes misguided interpretations of NGDMs in widely referenced papers and texts due to an overreliance on strong smoothness assumptions, emphasizing the necessity for a nuanced understanding of foundational assumptions in the analysis of these systems.

Recent work has shown that forward- and reverse- mode automatic differentiation (AD) over the reals is almost always correct in a mathematically precise sense. However, actual programs work with machine-representable numbers (e.g., floating-point numbers), not reals. In this paper, we study the correctness of AD when the parameter space of a neural network consists solely of machine-representable numbers. In particular, we analyze two sets of parameters on which AD can be incorrect: the incorrect set on which the network is differentiable but AD does not compute its derivative, and the non-differentiable set on which the network is non-differentiable. For a neural network with bias parameters, we first prove that the incorrect set is always empty. We then prove a tight bound on the size of the non-differentiable set, which is linear in the number of non-differentiabilities in activation functions, and give a simple necessary and sufficient condition for a parameter to be in this set. We further prove that AD always computes a Clarke subderivative even on the non-differentiable set. We also extend these results to neural networks possibly without bias parameters.

We present semantic correctness proofs of automatic differentiation (AD). We consider a forward-mode AD method on a higher order language with algebraic data types, and we characterise it as the unique structure preserving macro given a choice of derivatives for basic operations. We describe a rich semantics for differentiable programming, based on diffeological spaces. We show that it interprets our language, and we phrase what it means for the AD method to be correct with respect to this semantics. We show that our characterisation of AD gives rise to an elegant semantic proof of its correctness based on a gluing construction on diffeological spaces. We explain how this is, in essence, a logical relations argument. Throughout, we show how the analysis extends to AD methods for computing higher order derivatives using a Taylor approximation.

Learning the tail behavior of a distribution is a notoriously difficult problem. By definition, the number of samples from the tail is small, and deep generative models, such as normalizing flows, tend to concentrate on learning the body of the distribution. In this paper, we focus on improving the ability of normalizing flows to correctly capture the tail behavior and, thus, form more accurate models. We prove that the marginal tailedness of an autoregressive flow can be controlled via the tailedness of the marginals of its base distribution. This theoretical insight leads us to a novel type of flows based on flexible base distributions and data-driven linear layers. An empirical analysis shows that the proposed method improves on the accuracy -- especially on the tails of the distribution -- and is able to generate heavy-tailed data. We demonstrate its application on a weather and climate example, in which capturing the tail behavior is essential.

We present semantic correctness proofs of Automatic Differentiation (AD). We consider a forward-mode AD method on a higher order language with algebraic data types, and we characterise it as the unique structure preserving macro given a choice of derivatives for basic operations. We describe a rich semantics for differentiable programming, based on diffeological spaces. We show that it interprets our language, and we phrase what it means for the AD method to be correct with respect to this semantics. We show that our characterisation of AD gives rise to an elegant semantic proof of its correctness based on a gluing construction on diffeological spaces. We explain how this is, in essence, a logical relations argument. Finally, we sketch how the analysis extends to other AD methods by considering a continuation-based method.

Generative flow networks (GFlowNets) are a family of algorithms that learn a generative policy to sample discrete objects x with non-negative reward R(x). Learning objectives guarantee the GFlowNet samples x from the target distribution p^*(x) propto R(x) when loss is globally minimized over all states or trajectories, but it is unclear how well they perform with practical limits on training resources. We introduce an efficient evaluation strategy to compare the learned sampling distribution to the target reward distribution. As flows can be underdetermined given training data, we clarify the importance of learned flows to generalization and matching p^*(x) in practice. We investigate how to learn better flows, and propose (i) prioritized replay training of high-reward x, (ii) relative edge flow policy parametrization, and (iii) a novel guided trajectory balance objective, and show how it can solve a substructure credit assignment problem. We substantially improve sample efficiency on biochemical design tasks.

Neural Architecture Search (NAS) has been a source of dramatic improvements in neural network design, with recent results meeting or exceeding the performance of hand-tuned architectures. However, our understanding of how to represent the search space for neural net architectures and how to search that space efficiently are both still in their infancy. We have performed an in-depth analysis to identify limitations in a widely used search space and a recent architecture search method, Differentiable Architecture Search (DARTS). These findings led us to introduce novel network blocks with a more general, balanced, and consistent design; a better-optimized Cosine Power Annealing learning rate schedule; and other improvements. Our resulting sharpDARTS search is 50% faster with a 20-30% relative improvement in final model error on CIFAR-10 when compared to DARTS. Our best single model run has 1.93% (1.98+/-0.07) validation error on CIFAR-10 and 5.5% error (5.8+/-0.3) on the recently released CIFAR-10.1 test set. To our knowledge, both are state of the art for models of similar size. This model also generalizes competitively to ImageNet at 25.1% top-1 (7.8% top-5) error. We found improvements for existing search spaces but does DARTS generalize to new domains? We propose Differentiable Hyperparameter Grid Search and the HyperCuboid search space, which are representations designed to leverage DARTS for more general parameter optimization. Here we find that DARTS fails to generalize when compared against a human's one shot choice of models. We look back to the DARTS and sharpDARTS search spaces to understand why, and an ablation study reveals an unusual generalization gap. We finally propose Max-W regularization to solve this problem, which proves significantly better than the handmade design. Code will be made available.

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.

Normalizing flows (NFs) have become a prominent method for deep generative models that allow for an analytic probability density estimation and efficient synthesis. However, a flow-based network is considered to be inefficient in parameter complexity because of reduced expressiveness of bijective mapping, which renders the models unfeasibly expensive in terms of parameters. We present an alternative parameterization scheme called NanoFlow, which uses a single neural density estimator to model multiple transformation stages. Hence, we propose an efficient parameter decomposition method and the concept of flow indication embedding, which are key missing components that enable density estimation from a single neural network. Experiments performed on audio and image models confirm that our method provides a new parameter-efficient solution for scalable NFs with significant sublinear parameter complexity.

We introduce a theoretical framework for differentiable surface evolution that allows discrete topology changes through the use of topological derivatives for variational optimization of image functionals. While prior methods for inverse rendering of geometry rely on silhouette gradients for topology changes, such signals are sparse. In contrast, our theory derives topological derivatives that relate the introduction of vanishing holes and phases to changes in image intensity. As a result, we enable differentiable shape perturbations in the form of hole or phase nucleation. We validate the proposed theory with optimization of closed curves in 2D and surfaces in 3D to lend insights into limitations of current methods and enable improved applications such as image vectorization, vector-graphics generation from text prompts, single-image reconstruction of shape ambigrams and multi-view 3D reconstruction.

Unsigned distance functions (UDFs) have been a vital representation for open surfaces. With different differentiable renderers, current methods are able to train neural networks to infer a UDF by minimizing the rendering errors on the UDF to the multi-view ground truth. However, these differentiable renderers are mainly handcrafted, which makes them either biased on ray-surface intersections, or sensitive to unsigned distance outliers, or not scalable to large scale scenes. To resolve these issues, we present a novel differentiable renderer to infer UDFs more accurately. Instead of using handcrafted equations, our differentiable renderer is a neural network which is pre-trained in a data-driven manner. It learns how to render unsigned distances into depth images, leading to a prior knowledge, dubbed volume rendering priors. To infer a UDF for an unseen scene from multiple RGB images, we generalize the learned volume rendering priors to map inferred unsigned distances in alpha blending for RGB image rendering. Our results show that the learned volume rendering priors are unbiased, robust, scalable, 3D aware, and more importantly, easy to learn. We evaluate our method on both widely used benchmarks and real scenes, and report superior performance over the state-of-the-art methods.

The capability to transfer mastered skills to accomplish a range of similar yet novel tasks is crucial for intelligent robots. In this work, we introduce Diff-Transfer, a novel framework leveraging differentiable physics simulation to efficiently transfer robotic skills. Specifically, Diff-Transfer discovers a feasible path within the task space that brings the source task to the target task. At each pair of adjacent points along this task path, which is two sub-tasks, Diff-Transfer adapts known actions from one sub-task to tackle the other sub-task successfully. The adaptation is guided by the gradient information from differentiable physics simulations. We propose a novel path-planning method to generate sub-tasks, leveraging Q-learning with a task-level state and reward. We implement our framework in simulation experiments and execute four challenging transfer tasks on robotic manipulation, demonstrating the efficacy of Diff-Transfer through comprehensive experiments. Supplementary and Videos are on the website https://sites.google.com/view/difftransfer

The application of Transformer-based large models has achieved numerous success in recent years. However, the exponential growth in the parameters of large models introduces formidable memory challenge for edge deployment. Prior works to address this challenge mainly focus on optimizing the model structure and adopting memory swapping methods. However, the former reduces the inference accuracy, and the latter raises the inference latency. This paper introduces PIPELOAD, a novel memory-efficient pipeline execution mechanism. It reduces memory usage by incorporating dynamic memory management and minimizes inference latency by employing parallel model loading. Based on PIPELOAD mechanism, we present Hermes, a framework optimized for large model inference on edge devices. We evaluate Hermes on Transformer-based models of different sizes. Our experiments illustrate that Hermes achieves up to 4.24 X increase in inference speed and 86.7% lower memory consumption than the state-of-the-art pipeline mechanism for BERT and ViT models, 2.58 X increase in inference speed and 90.3% lower memory consumption for GPT-style models.

We study the problem of efficiently generating differentially private synthetic data that approximate the statistical properties of an underlying sensitive dataset. In recent years, there has been a growing line of work that approaches this problem using first-order optimization techniques. However, such techniques are restricted to optimizing differentiable objectives only, severely limiting the types of analyses that can be conducted. For example, first-order mechanisms have been primarily successful in approximating statistical queries only in the form of marginals for discrete data domains. In some cases, one can circumvent such issues by relaxing the task's objective to maintain differentiability. However, even when possible, these approaches impose a fundamental limitation in which modifications to the minimization problem become additional sources of error. Therefore, we propose Private-GSD, a private genetic algorithm based on zeroth-order optimization heuristics that do not require modifying the original objective. As a result, it avoids the aforementioned limitations of first-order optimization. We empirically evaluate Private-GSD against baseline algorithms on data derived from the American Community Survey across a variety of statistics--otherwise known as statistical queries--both for discrete and real-valued attributes. We show that Private-GSD outperforms the state-of-the-art methods on non-differential queries while matching accuracy in approximating differentiable ones.

Recent work shows that path gradient estimators for normalizing flows have lower variance compared to standard estimators for variational inference, resulting in improved training. However, they are often prohibitively more expensive from a computational point of view and cannot be applied to maximum likelihood training in a scalable manner, which severely hinders their widespread adoption. In this work, we overcome these crucial limitations. Specifically, we propose a fast path gradient estimator which improves computational efficiency significantly and works for all normalizing flow architectures of practical relevance. We then show that this estimator can also be applied to maximum likelihood training for which it has a regularizing effect as it can take the form of a given target energy function into account. We empirically establish its superior performance and reduced variance for several natural sciences applications.

Deep neural networks have delivered remarkable performance and have been widely used in various visual tasks. However, their huge size causes significant inconvenience for transmission and storage. Many previous studies have explored model size compression. However, these studies often approach various lossy and lossless compression methods in isolation, leading to challenges in achieving high compression ratios efficiently. This work proposes a post-training model size compression method that combines lossy and lossless compression in a unified way. We first propose a unified parametric weight transformation, which ensures different lossy compression methods can be performed jointly in a post-training manner. Then, a dedicated differentiable counter is introduced to guide the optimization of lossy compression to arrive at a more suitable point for later lossless compression. Additionally, our method can easily control a desired global compression ratio and allocate adaptive ratios for different layers. Finally, our method can achieve a stable 10times compression ratio without sacrificing accuracy and a 20times compression ratio with minor accuracy loss in a short time. Our code is available at https://github.com/ModelTC/L2_Compression .

Flow-based generative models parameterize probability distributions through an invertible transformation and can be trained by maximum likelihood. Invertible residual networks provide a flexible family of transformations where only Lipschitz conditions rather than strict architectural constraints are needed for enforcing invertibility. However, prior work trained invertible residual networks for density estimation by relying on biased log-density estimates whose bias increased with the network's expressiveness. We give a tractable unbiased estimate of the log density using a "Russian roulette" estimator, and reduce the memory required during training by using an alternative infinite series for the gradient. Furthermore, we improve invertible residual blocks by proposing the use of activation functions that avoid derivative saturation and generalizing the Lipschitz condition to induced mixed norms. The resulting approach, called Residual Flows, achieves state-of-the-art performance on density estimation amongst flow-based models, and outperforms networks that use coupling blocks at joint generative and discriminative modeling.

We propose a new approach for generative modeling based on training a neural network to be idempotent. An idempotent operator is one that can be applied sequentially without changing the result beyond the initial application, namely f(f(z))=f(z). The proposed model f is trained to map a source distribution (e.g, Gaussian noise) to a target distribution (e.g. realistic images) using the following objectives: (1) Instances from the target distribution should map to themselves, namely f(x)=x. We define the target manifold as the set of all instances that f maps to themselves. (2) Instances that form the source distribution should map onto the defined target manifold. This is achieved by optimizing the idempotence term, f(f(z))=f(z) which encourages the range of f(z) to be on the target manifold. Under ideal assumptions such a process provably converges to the target distribution. This strategy results in a model capable of generating an output in one step, maintaining a consistent latent space, while also allowing sequential applications for refinement. Additionally, we find that by processing inputs from both target and source distributions, the model adeptly projects corrupted or modified data back to the target manifold. This work is a first step towards a ``global projector'' that enables projecting any input into a target data distribution.

Most generative models of audio directly generate samples in one of two domains: time or frequency. While sufficient to express any signal, these representations are inefficient, as they do not utilize existing knowledge of how sound is generated and perceived. A third approach (vocoders/synthesizers) successfully incorporates strong domain knowledge of signal processing and perception, but has been less actively researched due to limited expressivity and difficulty integrating with modern auto-differentiation-based machine learning methods. In this paper, we introduce the Differentiable Digital Signal Processing (DDSP) library, which enables direct integration of classic signal processing elements with deep learning methods. Focusing on audio synthesis, we achieve high-fidelity generation without the need for large autoregressive models or adversarial losses, demonstrating that DDSP enables utilizing strong inductive biases without losing the expressive power of neural networks. Further, we show that combining interpretable modules permits manipulation of each separate model component, with applications such as independent control of pitch and loudness, realistic extrapolation to pitches not seen during training, blind dereverberation of room acoustics, transfer of extracted room acoustics to new environments, and transformation of timbre between disparate sources. In short, DDSP enables an interpretable and modular approach to generative modeling, without sacrificing the benefits of deep learning. The library is publicly available at https://github.com/magenta/ddsp and we welcome further contributions from the community and domain experts.

Most progress in recent coder models has been driven by supervised fine-tuning (SFT), while the potential of reinforcement learning (RL) remains largely unexplored, primarily due to the lack of reliable reward data/model in the code domain. In this paper, we address this challenge by leveraging automated large-scale test-case synthesis to enhance code model training. Specifically, we design a pipeline that generates extensive (question, test-cases) pairs from existing code data. Using these test cases, we construct preference pairs based on pass rates over sampled programs to train reward models with Bradley-Terry loss. It shows an average of 10-point improvement for Llama-3.1-8B-Ins and 5-point improvement for Qwen2.5-Coder-7B-Ins through best-of-32 sampling, making the 7B model on par with 236B DeepSeek-V2.5. Furthermore, we conduct reinforcement learning with both reward models and test-case pass rewards, leading to consistent improvements across HumanEval, MBPP, BigCodeBench, and LiveCodeBench (V4). Notably, we follow the R1-style training to start from Qwen2.5-Coder-base directly and show that our RL training can improve model on HumanEval-plus by over 25\% and MBPP-plus by 6\% for merely 80 optimization steps. We believe our results highlight the huge potential of reinforcement learning in coder models.

Automatic black-and-white image sequence colorization while preserving character and object identity (ID) is a complex task with significant market demand, such as in cartoon or comic series colorization. Despite advancements in visual colorization using large-scale generative models like diffusion models, challenges with controllability and identity consistency persist, making current solutions unsuitable for industrial application.To address this, we propose ColorFlow, a three-stage diffusion-based framework tailored for image sequence colorization in industrial applications. Unlike existing methods that require per-ID finetuning or explicit ID embedding extraction, we propose a novel robust and generalizable Retrieval Augmented Colorization pipeline for colorizing images with relevant color references. Our pipeline also features a dual-branch design: one branch for color identity extraction and the other for colorization, leveraging the strengths of diffusion models. We utilize the self-attention mechanism in diffusion models for strong in-context learning and color identity matching. To evaluate our model, we introduce ColorFlow-Bench, a comprehensive benchmark for reference-based colorization. Results show that ColorFlow outperforms existing models across multiple metrics, setting a new standard in sequential image colorization and potentially benefiting the art industry. We release our codes and models on our project page: https://zhuang2002.github.io/ColorFlow/.

Solving Bayesian inverse problems efficiently remains a significant challenge due to the complexity of posterior distributions and the computational cost of traditional sampling methods. Given a series of observations and the forward model, we want to recover the distribution of the parameters, conditioned on observed experimental data. We show, that combining Conditional Flow Mathching (CFM) with transformer-based architecture, we can efficiently sample from such kind of distribution, conditioned on variable number of observations.

Normalizing Flows explicitly maximize a full-dimensional likelihood on the training data. However, real data is typically only supported on a lower-dimensional manifold leading the model to expend significant compute on modeling noise. Injective Flows fix this by jointly learning a manifold and the distribution on it. So far, they have been limited by restrictive architectures and/or high computational cost. We lift both constraints by a new efficient estimator for the maximum likelihood loss, compatible with free-form bottleneck architectures. We further show that naively learning both the data manifold and the distribution on it can lead to divergent solutions, and use this insight to motivate a stable maximum likelihood training objective. We perform extensive experiments on toy, tabular and image data, demonstrating the competitive performance of the resulting model.

We propose PROSE-FD, a zero-shot multimodal PDE foundational model for simultaneous prediction of heterogeneous two-dimensional physical systems related to distinct fluid dynamics settings. These systems include shallow water equations and the Navier-Stokes equations with incompressible and compressible flow, regular and complex geometries, and different buoyancy settings. This work presents a new transformer-based multi-operator learning approach that fuses symbolic information to perform operator-based data prediction, i.e. non-autoregressive. By incorporating multiple modalities in the inputs, the PDE foundation model builds in a pathway for including mathematical descriptions of the physical behavior. We pre-train our foundation model on 6 parametric families of equations collected from 13 datasets, including over 60K trajectories. Our model outperforms popular operator learning, computer vision, and multi-physics models, in benchmark forward prediction tasks. We test our architecture choices with ablation studies.

Transformer models serve as the backbone of many state-ofthe-art language models, and most use the scaled dot-product attention (SDPA) mechanism to capture relationships between tokens. However, the straightforward implementation of SDPA has quadratic compute and memory complexity with respect to the sequence length. On processor architectures such as GPUs and TPUs, there is a robust body of prior work. However, little work has been performed on non-processor architectures.In this work, we show how the architecture and execution model of Streaming Dataflow Accelerators can help tackle this challenge. We first define abstract hardware that adopts a streaming execution model, and we implement a cycle-accurate simulator of the abstract hardware using the Dataflow Abstract Machine simulation framework. Second, we implement the naive SDPA algorithm on this abstract hardware and show it requires linear (O(N)) intermediate memory. Third, we then modify the naive algorithm, taking inspiration from prior processor-oriented works, by reordering the multiplication and division operations. Finally, we map the modified algorithm to abstract hardware, and confirm that the implementation computes SDPA at full throughput while only using a constant amount (O(1)) of intermediate memory.

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.

Recent large language models (LLMs) have tended to leverage sparsity to reduce computations, employing the sparsely activated mixture-of-experts (MoE) technique. MoE introduces four modules, including token routing, token communication, expert computation, and expert parallelism, that impact model quality and training efficiency. To enable versatile usage of MoE models, we introduce FSMoE, a flexible training system optimizing task scheduling with three novel techniques: 1) Unified abstraction and online profiling of MoE modules for task scheduling across various MoE implementations. 2) Co-scheduling intra-node and inter-node communications with computations to minimize communication overheads. 3) To support near-optimal task scheduling, we design an adaptive gradient partitioning method for gradient aggregation and a schedule to adaptively pipeline communications and computations. We conduct extensive experiments with configured MoE layers and real-world MoE models on two GPU clusters. Experimental results show that 1) our FSMoE supports four popular types of MoE routing functions and is more efficient than existing implementations (with up to a 1.42times speedup), and 2) FSMoE outperforms the state-of-the-art MoE training systems (DeepSpeed-MoE and Tutel) by 1.18times-1.22times on 1458 MoE layers and 1.19times-3.01times on real-world MoE models based on GPT-2 and Mixtral using a popular routing function.

In practice, we usually need to build variable-sized models adapting for diverse resource constraints in different application scenarios, where weight initialization is an important step prior to training. The Learngene framework, introduced recently, firstly learns one compact part termed as learngene from a large well-trained model, after which learngene is expanded to initialize variable-sized models. In this paper, we start from analysing the importance of guidance for the expansion of well-trained learngene layers, inspiring the design of a simple but highly effective Learngene approach termed SWS (Stage-wise Weight Sharing), where both learngene layers and their learning process critically contribute to providing knowledge and guidance for initializing models at varying scales. Specifically, to learn learngene layers, we build an auxiliary model comprising multiple stages where the layer weights in each stage are shared, after which we train it through distillation. Subsequently, we expand these learngene layers containing stage information at their corresponding stage to initialize models of variable depths. Extensive experiments on ImageNet-1K demonstrate that SWS achieves consistent better performance compared to many models trained from scratch, while reducing around 6.6x total training costs. In some cases, SWS performs better only after 1 epoch tuning. When initializing variable-sized models adapting for different resource constraints, SWS achieves better results while reducing around 20x parameters stored to initialize these models and around 10x pre-training costs, in contrast to the pre-training and fine-tuning approach.

Many training data attribution (TDA) methods aim to estimate how a model's behavior would change if one or more data points were removed from the training set. Methods based on implicit differentiation, such as influence functions, can be made computationally efficient, but fail to account for underspecification, the implicit bias of the optimization algorithm, or multi-stage training pipelines. By contrast, methods based on unrolling address these issues but face scalability challenges. In this work, we connect the implicit-differentiation-based and unrolling-based approaches and combine their benefits by introducing Source, an approximate unrolling-based TDA method that is computed using an influence-function-like formula. While being computationally efficient compared to unrolling-based approaches, Source is suitable in cases where implicit-differentiation-based approaches struggle, such as in non-converged models and multi-stage training pipelines. Empirically, Source outperforms existing TDA techniques in counterfactual prediction, especially in settings where implicit-differentiation-based approaches fall short.

We introduce Reverse Derivative Ascent: a categorical analogue of gradient based methods for machine learning. Our algorithm is defined at the level of so-called reverse differential categories. It can be used to learn the parameters of models which are expressed as morphisms of such categories. Our motivating example is boolean circuits: we show how our algorithm can be applied to such circuits by using the theory of reverse differential categories. Note our methodology allows us to learn the parameters of boolean circuits directly, in contrast to existing binarised neural network approaches. Moreover, we demonstrate its empirical value by giving experimental results on benchmark machine learning datasets.

Understanding and analyzing markets is crucial, yet analytical equilibrium solutions remain largely infeasible. Recent breakthroughs in equilibrium computation rely on zeroth-order policy gradient estimation. These approaches commonly suffer from high variance and are computationally expensive. The use of fully differentiable simulators would enable more efficient gradient estimation. However, the discrete allocation of goods in economic simulations is a non-differentiable operation. This renders the first-order Monte Carlo gradient estimator inapplicable and the learning feedback systematically misleading. We propose a novel smoothing technique that creates a surrogate market game, in which first-order methods can be applied. We provide theoretical bounds on the resulting bias which justifies solving the smoothed game instead. These bounds also allow choosing the smoothing strength a priori such that the resulting estimate has low variance. Furthermore, we validate our approach via numerous empirical experiments. Our method theoretically and empirically outperforms zeroth-order methods in approximation quality and computational efficiency.

Training state-of-the-art neural networks requires a high cost in terms of compute and time. Model scale is recognized to be a critical factor to achieve and improve the state-of-the-art. Increasing the scale of a neural network normally requires restarting from scratch by randomly initializing all the parameters of the model, as this implies a change of architecture's parameters that does not allow for a straightforward transfer of knowledge from smaller size models. In this work, we propose six composable transformations to incrementally increase the size of transformer-based neural networks while preserving functionality, allowing to expand the capacity of the model as needed. We provide proof of exact function preservation under minimal initialization constraints for each transformation. The proposed methods may enable efficient training pipelines for larger and more powerful models by progressively expanding the architecture throughout training.

The utilization of programming language (PL) models, pre-trained on large-scale code corpora, as a means of automating software engineering processes has demonstrated considerable potential in streamlining various code generation tasks such as code completion, code translation, and program synthesis. However, current approaches mainly rely on supervised fine-tuning objectives borrowed from text generation, neglecting unique sequence-level characteristics of code, including but not limited to compilability as well as syntactic and functional correctness. To address this limitation, we propose PPOCoder, a new framework for code generation that synergistically combines pre-trained PL models with Proximal Policy Optimization (PPO) which is a widely used deep reinforcement learning technique. By utilizing non-differentiable feedback from code execution and structure alignment, PPOCoder seamlessly integrates external code-specific knowledge into the model optimization process. It's important to note that PPOCoder is a task-agnostic and model-agnostic framework that can be used across different code generation tasks and PLs. Extensive experiments on three code generation tasks demonstrate the effectiveness of our proposed approach compared to SOTA methods, achieving significant improvements in compilation success rates and functional correctness across different PLs.

Normalising Flows are non-parametric statistical models characterised by their dual capabilities of density estimation and generation. This duality requires an inherently invertible architecture. However, the requirement of invertibility imposes constraints on their expressiveness, necessitating a large number of parameters and innovative architectural designs to achieve good results. Whilst flow-based models predominantly rely on neural-network-based transformations for expressive designs, alternative transformation methods have received limited attention. In this work, we present Ferumal flow, a novel kernelised normalising flow paradigm that integrates kernels into the framework. Our results demonstrate that a kernelised flow can yield competitive or superior results compared to neural network-based flows whilst maintaining parameter efficiency. Kernelised flows excel especially in the low-data regime, enabling flexible non-parametric density estimation in applications with sparse data availability.

We propose a novel theoretical framework of analysis for Generative Adversarial Networks (GANs). We reveal a fundamental flaw of previous analyses which, by incorrectly modeling GANs' training scheme, are subject to ill-defined discriminator gradients. We overcome this issue which impedes a principled study of GAN training, solving it within our framework by taking into account the discriminator's architecture. To this end, we leverage the theory of infinite-width neural networks for the discriminator via its Neural Tangent Kernel. We characterize the trained discriminator for a wide range of losses and establish general differentiability properties of the network. From this, we derive new insights about the convergence of the generated distribution, advancing our understanding of GANs' training dynamics. We empirically corroborate these results via an analysis toolkit based on our framework, unveiling intuitions that are consistent with GAN practice.

Flow-based generative models (Dinh et al., 2014) are conceptually attractive due to tractability of the exact log-likelihood, tractability of exact latent-variable inference, and parallelizability of both training and synthesis. In this paper we propose Glow, a simple type of generative flow using an invertible 1x1 convolution. Using our method we demonstrate a significant improvement in log-likelihood on standard benchmarks. Perhaps most strikingly, we demonstrate that a generative model optimized towards the plain log-likelihood objective is capable of efficient realistic-looking synthesis and manipulation of large images. The code for our model is available at https://github.com/openai/glow

Disease progression simulation is a crucial area of research that has significant implications for clinical diagnosis, prognosis, and treatment. One major challenge in this field is the lack of continuous medical imaging monitoring of individual patients over time. To address this issue, we develop a novel framework termed Progressive Image Editing (PIE) that enables controlled manipulation of disease-related image features, facilitating precise and realistic disease progression simulation. Specifically, we leverage recent advancements in text-to-image generative models to simulate disease progression accurately and personalize it for each patient. We theoretically analyze the iterative refining process in our framework as a gradient descent with an exponentially decayed learning rate. To validate our framework, we conduct experiments in three medical imaging domains. Our results demonstrate the superiority of PIE over existing methods such as Stable Diffusion Walk and Style-Based Manifold Extrapolation based on CLIP score (Realism) and Disease Classification Confidence (Alignment). Our user study collected feedback from 35 veteran physicians to assess the generated progressions. Remarkably, 76.2% of the feedback agrees with the fidelity of the generated progressions. To our best knowledge, PIE is the first of its kind to generate disease progression images meeting real-world standards. It is a promising tool for medical research and clinical practice, potentially allowing healthcare providers to model disease trajectories over time, predict future treatment responses, and improve patient outcomes.

Recent advances show that Neural Architectural Search (NAS) method is able to find state-of-the-art image classification deep architectures. In this paper, we consider the one-shot NAS problem for resource constrained applications. This problem is of great interest because it is critical to choose different architectures according to task complexity when the resource is constrained. Previous techniques are either too slow for one-shot learning or does not take the resource constraint into consideration. In this paper, we propose the resource constrained differentiable architecture search (RC-DARTS) method to learn architectures that are significantly smaller and faster while achieving comparable accuracy. Specifically, we propose to formulate the RC-DARTS task as a constrained optimization problem by adding the resource constraint. An iterative projection method is proposed to solve the given constrained optimization problem. We also propose a multi-level search strategy to enable layers at different depths to adaptively learn different types of neural architectures. Through extensive experiments on the Cifar10 and ImageNet datasets, we show that the RC-DARTS method learns lightweight neural architectures which have smaller model size and lower computational complexity while achieving comparable or better performances than the state-of-the-art methods.

In reinforcement learning and imitation learning, an object of central importance is the state distribution induced by the policy. It plays a crucial role in the policy gradient theorem, and references to it--along with the related state-action distribution--can be found all across the literature. Despite its importance, the state distribution is mostly discussed indirectly and theoretically, rather than being modeled explicitly. The reason being an absence of appropriate density estimation tools. In this work, we investigate applications of a normalizing flow-based model for the aforementioned distributions. In particular, we use a pair of flows coupled through the optimality point of the Donsker-Varadhan representation of the Kullback-Leibler (KL) divergence, for distribution matching based imitation learning. Our algorithm, Coupled Flow Imitation Learning (CFIL), achieves state-of-the-art performance on benchmark tasks with a single expert trajectory and extends naturally to a variety of other settings, including the subsampled and state-only regimes.

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.

Transformers have become the dominant model in deep learning, but the reason for their superior performance is poorly understood. Here, we hypothesize that the strong performance of Transformers stems from an architectural bias towards mesa-optimization, a learned process running within the forward pass of a model consisting of the following two steps: (i) the construction of an internal learning objective, and (ii) its corresponding solution found through optimization. To test this hypothesis, we reverse-engineer a series of autoregressive Transformers trained on simple sequence modeling tasks, uncovering underlying gradient-based mesa-optimization algorithms driving the generation of predictions. Moreover, we show that the learned forward-pass optimization algorithm can be immediately repurposed to solve supervised few-shot tasks, suggesting that mesa-optimization might underlie the in-context learning capabilities of large language models. Finally, we propose a novel self-attention layer, the mesa-layer, that explicitly and efficiently solves optimization problems specified in context. We find that this layer can lead to improved performance in synthetic and preliminary language modeling experiments, adding weight to our hypothesis that mesa-optimization is an important operation hidden within the weights of trained Transformers.

The increased demand for 3D data in AR/VR, robotics and gaming applications, gave rise to powerful generative pipelines capable of synthesizing high-quality 3D objects. Most of these models rely on the Score Distillation Sampling (SDS) algorithm to optimize a 3D representation such that the rendered image maintains a high likelihood as evaluated by a pre-trained diffusion model. However, finding a correct mode in the high-dimensional distribution produced by the diffusion model is challenging and often leads to issues such as over-saturation, over-smoothing, and Janus-like artifacts. In this paper, we propose a novel learning paradigm for 3D synthesis that utilizes pre-trained diffusion models. Instead of focusing on mode-seeking, our method directly models the distribution discrepancy between multi-view renderings and diffusion priors in an adversarial manner, which unlocks the generation of high-fidelity and photorealistic 3D content, conditioned on a single image and prompt. Moreover, by harnessing the latent space of GANs and expressive diffusion model priors, our method facilitates a wide variety of 3D applications including single-view reconstruction, high diversity generation and continuous 3D interpolation in the open domain. The experiments demonstrate the superiority of our pipeline compared to previous works in terms of generation quality and diversity.

Diffusion-based stylization methods typically denoise from a specific partial noise state for image-to-image and video-to-video tasks. This multi-step diffusion process is computationally expensive and hinders real-world application. A promising solution to speed up the process is to obtain few-step consistency models through trajectory distillation. However, current consistency models only force the initial-step alignment between the probability flow ODE (PF-ODE) trajectories of the student and the imperfect teacher models. This training strategy can not ensure the consistency of whole trajectories. To address this issue, we propose single trajectory distillation (STD) starting from a specific partial noise state. We introduce a trajectory bank to store the teacher model's trajectory states, mitigating the time cost during training. Besides, we use an asymmetric adversarial loss to enhance the style and quality of the generated images. Extensive experiments on image and video stylization demonstrate that our method surpasses existing acceleration models in terms of style similarity and aesthetic evaluations. Our code and results will be available on the project page: https://single-trajectory-distillation.github.io.

Rectified flow and reflow procedures have significantly advanced fast generation by progressively straightening ordinary differential equation (ODE) flows. They operate under the assumption that image and noise pairs, known as couplings, can be approximated by straight trajectories with constant velocity. However, we observe that modeling with constant velocity and using reflow procedures have limitations in accurately learning straight trajectories between pairs, resulting in suboptimal performance in few-step generation. To address these limitations, we introduce Constant Acceleration Flow (CAF), a novel framework based on a simple constant acceleration equation. CAF introduces acceleration as an additional learnable variable, allowing for more expressive and accurate estimation of the ODE flow. Moreover, we propose two techniques to further improve estimation accuracy: initial velocity conditioning for the acceleration model and a reflow process for the initial velocity. Our comprehensive studies on toy datasets, CIFAR-10, and ImageNet 64x64 demonstrate that CAF outperforms state-of-the-art baselines for one-step generation. We also show that CAF dramatically improves few-step coupling preservation and inversion over Rectified flow. Code is available at https://github.com/mlvlab/CAF{https://github.com/mlvlab/CAF}.

Finding the optimal pass sequence of compilation can lead to a significant reduction in program size and/or improvement in program efficiency. Prior works on compilation pass ordering have two major drawbacks. They either require an excessive budget (in terms of compilation steps) at compile time or fail to generalize to unseen programs. In this paper, for code-size reduction tasks, we propose a novel pipeline to find program-dependent pass sequences within 45 compilation calls. It first identifies a coreset of 50 pass sequences via greedy optimization of a submodular function, and then learns a policy with Graph Neural Network (GNN) to pick the optimal sequence by predicting the normalized values of the pass sequences in the coreset. Despite its simplicity, our pipeline outperforms the default -Oz flag by an average of 4.7% over a large collection (4683) of unseen code repositories from diverse domains across 14 datasets. In comparison, previous approaches like reinforcement learning on the raw pass sequence space may take days to train due to sparse reward, and may not generalize well in held-out ones from different domains. Our results demonstrate that existing human-designed compiler flags can be improved with a simple yet effective technique that transforms the raw action space into a small one with denser rewards.

Transfer learning is a popular method for tuning pretrained (upstream) models for different downstream tasks using limited data and computational resources. We study how an adversary with control over an upstream model used in transfer learning can conduct property inference attacks on a victim's tuned downstream model. For example, to infer the presence of images of a specific individual in the downstream training set. We demonstrate attacks in which an adversary can manipulate the upstream model to conduct highly effective and specific property inference attacks (AUC score > 0.9), without incurring significant performance loss on the main task. The main idea of the manipulation is to make the upstream model generate activations (intermediate features) with different distributions for samples with and without a target property, thus enabling the adversary to distinguish easily between downstream models trained with and without training examples that have the target property. Our code is available at https://github.com/yulongt23/Transfer-Inference.

Continual learning with an increasing number of classes is a challenging task. The difficulty rises when each example is presented exactly once, which requires the model to learn online. Recent methods with classic parameter optimization procedures have been shown to struggle in such setups or have limitations like non-differentiable components or memory buffers. For this reason, we present the fully differentiable ensemble method that allows us to efficiently train an ensemble of neural networks in the end-to-end regime. The proposed technique achieves SOTA results without a memory buffer and clearly outperforms the reference methods. The conducted experiments have also shown a significant increase in the performance for small ensembles, which demonstrates the capability of obtaining relatively high classification accuracy with a reduced number of classifiers.

Normalizing flows are powerful non-parametric statistical models that function as a hybrid between density estimators and generative models. Current learning algorithms for normalizing flows assume that data points are sampled independently, an assumption that is frequently violated in practice, which may lead to erroneous density estimation and data generation. We propose a likelihood objective of normalizing flows incorporating dependencies between the data points, for which we derive a flexible and efficient learning algorithm suitable for different dependency structures. We show that respecting dependencies between observations can improve empirical results on both synthetic and real-world data, and leads to higher statistical power in a downstream application to genome-wide association studies.

This paper studies generative flow networks (GFlowNets) to sample objects from the Boltzmann energy distribution via a sequence of actions. In particular, we focus on improving GFlowNet with partial inference: training flow functions with the evaluation of the intermediate states or transitions. To this end, the recently developed forward-looking GFlowNet reparameterizes the flow functions based on evaluating the energy of intermediate states. However, such an evaluation of intermediate energies may (i) be too expensive or impossible to evaluate and (ii) even provide misleading training signals under large energy fluctuations along the sequence of actions. To resolve this issue, we propose learning energy decompositions for GFlowNets (LED-GFN). Our main idea is to (i) decompose the energy of an object into learnable potential functions defined on state transitions and (ii) reparameterize the flow functions using the potential functions. In particular, to produce informative local credits, we propose to regularize the potential to change smoothly over the sequence of actions. It is also noteworthy that training GFlowNet with our learned potential can preserve the optimal policy. We empirically verify the superiority of LED-GFN in five problems including the generation of unstructured and maximum independent sets, molecular graphs, and RNA sequences.

PennyLane is a Python 3 software framework for differentiable programming of quantum computers. The library provides a unified architecture for near-term quantum computing devices, supporting both qubit and continuous-variable paradigms. PennyLane's core feature is the ability to compute gradients of variational quantum circuits in a way that is compatible with classical techniques such as backpropagation. PennyLane thus extends the automatic differentiation algorithms common in optimization and machine learning to include quantum and hybrid computations. A plugin system makes the framework compatible with any gate-based quantum simulator or hardware. We provide plugins for hardware providers including the Xanadu Cloud, Amazon Braket, and IBM Quantum, allowing PennyLane optimizations to be run on publicly accessible quantum devices. On the classical front, PennyLane interfaces with accelerated machine learning libraries such as TensorFlow, PyTorch, JAX, and Autograd. PennyLane can be used for the optimization of variational quantum eigensolvers, quantum approximate optimization, quantum machine learning models, and many other applications.

Probabilistic Circuits (PCs) are a general and unified computational framework for tractable probabilistic models that support efficient computation of various inference tasks (e.g., computing marginal probabilities). Towards enabling such reasoning capabilities in complex real-world tasks, Liu et al. (2022) propose to distill knowledge (through latent variable assignments) from less tractable but more expressive deep generative models. However, it is still unclear what factors make this distillation work well. In this paper, we theoretically and empirically discover that the performance of a PC can exceed that of its teacher model. Therefore, instead of performing distillation from the most expressive deep generative model, we study what properties the teacher model and the PC should have in order to achieve good distillation performance. This leads to a generic algorithmic improvement as well as other data-type-specific ones over the existing latent variable distillation pipeline. Empirically, we outperform SoTA TPMs by a large margin on challenging image modeling benchmarks. In particular, on ImageNet32, PCs achieve 4.06 bits-per-dimension, which is only 0.34 behind variational diffusion models (Kingma et al., 2021).

Knowledge distillation methods have recently shown to be a promising direction to speedup the synthesis of large-scale diffusion models by requiring only a few inference steps. While several powerful distillation methods were recently proposed, the overall quality of student samples is typically lower compared to the teacher ones, which hinders their practical usage. In this work, we investigate the relative quality of samples produced by the teacher text-to-image diffusion model and its distilled student version. As our main empirical finding, we discover that a noticeable portion of student samples exhibit superior fidelity compared to the teacher ones, despite the ``approximate'' nature of the student. Based on this finding, we propose an adaptive collaboration between student and teacher diffusion models for effective text-to-image synthesis. Specifically, the distilled model produces the initial sample, and then an oracle decides whether it needs further improvements with a slow teacher model. Extensive experiments demonstrate that the designed pipeline surpasses state-of-the-art text-to-image alternatives for various inference budgets in terms of human preference. Furthermore, the proposed approach can be naturally used in popular applications such as text-guided image editing and controllable generation.

Pretrained models have become a commodity and offer strong results on a broad range of tasks. In this work, we focus on classification and seek to learn a unique encoder able to take from several complementary pretrained models. We aim at even stronger generalization across a variety of classification tasks. We propose to learn such an encoder via multi-teacher distillation. We first thoroughly analyse standard distillation when driven by multiple strong teachers with complementary strengths. Guided by this analysis, we gradually propose improvements to the basic distillation setup. Among those, we enrich the architecture of the encoder with a ladder of expendable projectors, which increases the impact of intermediate features during distillation, and we introduce teacher dropping, a regularization mechanism that better balances the teachers' influence. Our final distillation strategy leads to student models of the same capacity as any of the teachers, while retaining or improving upon the performance of the best teacher for each task. Project page and code: https://europe.naverlabs.com/unic

Pre-trained language models (PLMs) have become a prevalent technique in deep learning for code, utilizing a two-stage pre-training and fine-tuning procedure to acquire general knowledge about code and specialize in a variety of downstream tasks. However, the dynamic nature of software codebases poses a challenge to the effectiveness and robustness of PLMs. In particular, world-realistic scenarios potentially lead to significant differences between the distribution of the pre-training and test data, i.e., distribution shift, resulting in a degradation of the PLM's performance on downstream tasks. In this paper, we stress the need for adapting PLMs of code to software data whose distribution changes over time, a crucial problem that has been overlooked in previous works. The motivation of this work is to consider the PLM in a non-stationary environment, where fine-tuning data evolves over time according to a software evolution scenario. Specifically, we design a scenario where the model needs to learn from a stream of programs containing new, unseen APIs over time. We study two widely used PLM architectures, i.e., a GPT2 decoder and a RoBERTa encoder, on two downstream tasks, API call and API usage prediction. We demonstrate that the most commonly used fine-tuning technique from prior work is not robust enough to handle the dynamic nature of APIs, leading to the loss of previously acquired knowledge i.e., catastrophic forgetting. To address these issues, we implement five continual learning approaches, including replay-based and regularization-based methods. Our findings demonstrate that utilizing these straightforward methods effectively mitigates catastrophic forgetting in PLMs across both downstream tasks while achieving comparable or superior performance.

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

Flow matching is a powerful framework for generating high-quality samples in various applications, especially image synthesis. However, the intensive computational demands of these models, especially during the fine-tuning process and sampling processes, pose significant challenges for low-resource scenarios. This paper introduces Bellman Optimal Step-size Straightening (BOSS) technique for distilling flow-matching generative models: it aims specifically for a few-step efficient image sampling while adhering to a computational budget constraint. First, this technique involves a dynamic programming algorithm that optimizes the step sizes of the pretrained network. Then, it refines the velocity network to match the optimal step sizes, aiming to straighten the generation paths. Extensive experimental evaluations across image generation tasks demonstrate the efficacy of BOSS in terms of both resource utilization and image quality. Our results reveal that BOSS achieves substantial gains in efficiency while maintaining competitive sample quality, effectively bridging the gap between low-resource constraints and the demanding requirements of flow-matching generative models. Our paper also fortifies the responsible development of artificial intelligence, offering a more sustainable generative model that reduces computational costs and environmental footprints. Our code can be found at https://github.com/nguyenngocbaocmt02/BOSS.

New hardware can substantially increase the speed and efficiency of deep neural network training. To guide the development of future hardware architectures, it is pertinent to explore the hardware and machine learning properties of alternative training algorithms. In this work we evaluate the use of small batch, fine-grained Pipelined Backpropagation, an asynchronous pipeline parallel training algorithm that has significant hardware advantages. We introduce two methods, Spike Compensation and Linear Weight Prediction, that effectively mitigate the downsides caused by the asynchronicity of Pipelined Backpropagation and outperform existing techniques in our setting. We show that appropriate normalization and small batch sizes can also aid training. With our methods, fine-grained Pipelined Backpropagation using a batch size of one can match the accuracy of SGD for multiple networks trained on CIFAR-10 and ImageNet. Simple scaling rules allow the use of existing hyperparameters for traditional training without additional tuning.

Data preprocessing pipelines, which includes data decoding, cleaning, and transforming, are a crucial component of Machine Learning (ML) training. Thy are computationally intensive and often become a major bottleneck, due to the increasing performance gap between the CPUs used for preprocessing and the GPUs used for model training. Recent studies show that a significant number of CPUs across several machines are required to achieve sufficient throughput to saturate the GPUs, leading to increased resource and energy consumption. When the pipeline involves vocabulary generation, the preprocessing performance scales poorly due to significant row-wise synchronization overhead between different CPU cores and servers. To address this limitation, in this paper we present the design of Piper, a hardware accelerator for tabular data preprocessing, prototype it on FPGAs, and demonstrate its potential for training pipelines of commercial recommender systems. Piper achieves 4.7 sim 71.3times speedup in latency over a 128-core CPU server and outperforms a data-center GPU by 4.8sim 20.3times when using binary input. The impressive performance showcases Piper's potential to increase the efficiency of data preprocessing pipelines and significantly reduce their resource consumption.

Diffusion models have revolutionized text-to-image generation with its exceptional quality and creativity. However, its multi-step sampling process is known to be slow, often requiring tens of inference steps to obtain satisfactory results. Previous attempts to improve its sampling speed and reduce computational costs through distillation have been unsuccessful in achieving a functional one-step model. In this paper, we explore a recent method called Rectified Flow, which, thus far, has only been applied to small datasets. The core of Rectified Flow lies in its reflow procedure, which straightens the trajectories of probability flows, refines the coupling between noises and images, and facilitates the distillation process with student models. We propose a novel text-conditioned pipeline to turn Stable Diffusion (SD) into an ultra-fast one-step model, in which we find reflow plays a critical role in improving the assignment between noise and images. Leveraging our new pipeline, we create, to the best of our knowledge, the first one-step diffusion-based text-to-image generator with SD-level image quality, achieving an FID (Frechet Inception Distance) of 23.3 on MS COCO 2017-5k, surpassing the previous state-of-the-art technique, progressive distillation, by a significant margin (37.2 rightarrow 23.3 in FID). By utilizing an expanded network with 1.7B parameters, we further improve the FID to 22.4. We call our one-step models InstaFlow. On MS COCO 2014-30k, InstaFlow yields an FID of 13.1 in just 0.09 second, the best in leq 0.1 second regime, outperforming the recent StyleGAN-T (13.9 in 0.1 second). Notably, the training of InstaFlow only costs 199 A100 GPU days. Project page:~https://github.com/gnobitab/InstaFlow.

Instruction tuning has unlocked powerful capabilities in large language models (LLMs), effectively using combined datasets to develop generalpurpose chatbots. However, real-world applications often require a specialized suite of skills (e.g., reasoning). The challenge lies in identifying the most relevant data from these extensive datasets to effectively develop specific capabilities, a setting we frame as targeted instruction tuning. We propose LESS, an optimizer-aware and practically efficient algorithm to effectively estimate data influences and perform Low-rank gradiEnt Similarity Search for instruction data selection. Crucially, LESS adapts existing influence formulations to work with the Adam optimizer and variable-length instruction data. LESS first constructs a highly reusable and transferable gradient datastore with low-dimensional gradient features and then selects examples based on their similarity to few-shot examples embodying a specific capability. Experiments show that training on a LESS-selected 5% of the data can often outperform training on the full dataset across diverse downstream tasks. Furthermore, the selected data is highly transferable: smaller models can be leveraged to select useful data for larger models and models from different families. Our qualitative analysis shows that our method goes beyond surface form cues to identify data that exemplifies the necessary reasoning skills for the intended downstream application.

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

Witnessing the evolution of text-to-image diffusion models, significant strides have been made in text-to-3D generation. Currently, two primary paradigms dominate the field of text-to-3D: the feed-forward generation solutions, capable of swiftly producing 3D assets but often yielding coarse results, and the Score Distillation Sampling (SDS) based solutions, known for generating high-fidelity 3D assets albeit at a slower pace. The synergistic integration of these methods holds substantial promise for advancing 3D generation techniques. In this paper, we present BoostDream, a highly efficient plug-and-play 3D refining method designed to transform coarse 3D assets into high-quality. The BoostDream framework comprises three distinct processes: (1) We introduce 3D model distillation that fits differentiable representations from the 3D assets obtained through feed-forward generation. (2) A novel multi-view SDS loss is designed, which utilizes a multi-view aware 2D diffusion model to refine the 3D assets. (3) We propose to use prompt and multi-view consistent normal maps as guidance in refinement.Our extensive experiment is conducted on different differentiable 3D representations, revealing that BoostDream excels in generating high-quality 3D assets rapidly, overcoming the Janus problem compared to conventional SDS-based methods. This breakthrough signifies a substantial advancement in both the efficiency and quality of 3D generation processes.

Diffusion models excel at producing high-quality samples but naively require hundreds of iterations, prompting multiple attempts to distill the generation process into a faster network. However, many existing approaches suffer from a variety of challenges: the process for distillation training can be complex, often requiring multiple training stages, and the resulting models perform poorly when utilized in single-step generative applications. In this paper, we introduce a simple yet effective means of distilling diffusion models directly from initial noise to the resulting image. Of particular importance to our approach is to leverage a new Deep Equilibrium (DEQ) model as the distilled architecture: the Generative Equilibrium Transformer (GET). Our method enables fully offline training with just noise/image pairs from the diffusion model while achieving superior performance compared to existing one-step methods on comparable training budgets. We demonstrate that the DEQ architecture is crucial to this capability, as GET matches a 5times larger ViT in terms of FID scores while striking a critical balance of computational cost and image quality. Code, checkpoints, and datasets are available.

Recently, there has been a growing interest in automating the process of neural architecture design, and the Differentiable Architecture Search (DARTS) method makes the process available within a few GPU days. However, the performance of DARTS is often observed to collapse when the number of search epochs becomes large. Meanwhile, lots of "{\em skip-connect}s" are found in the selected architectures. In this paper, we claim that the cause of the collapse is that there exists overfitting in the optimization of DARTS. Therefore, we propose a simple and effective algorithm, named "DARTS+", to avoid the collapse and improve the original DARTS, by "early stopping" the search procedure when meeting a certain criterion. We also conduct comprehensive experiments on benchmark datasets and different search spaces and show the effectiveness of our DARTS+ algorithm, and DARTS+ achieves 2.32% test error on CIFAR10, 14.87% on CIFAR100, and 23.7% on ImageNet. We further remark that the idea of "early stopping" is implicitly included in some existing DARTS variants by manually setting a small number of search epochs, while we give an {\em explicit} criterion for "early stopping".

While large language models (LLMs) are increasingly being used for program synthesis, they lack the global view needed to develop useful abstractions; they generally predict programs one at a time, often repeating the same functionality. Generating redundant code from scratch is both inefficient and error-prone. To address this, we propose Refactoring for Generalizable Abstraction Learning (ReGAL), a gradient-free method for learning a library of reusable functions via code refactorization, i.e. restructuring code without changing its execution output. ReGAL learns from a small set of existing programs, iteratively verifying and refining its abstractions via execution. We find that the shared function libraries discovered by ReGAL make programs easier to predict across diverse domains. On three datasets (LOGO graphics generation, Date reasoning, and TextCraft, a Minecraft-based text game), both open-source and proprietary LLMs improve in accuracy when predicting programs with ReGAL functions. For CodeLlama-13B, ReGAL results in absolute accuracy increases of 11.5% on graphics, 26.1% on date understanding, and 8.1% on TextCraft, outperforming GPT-3.5 in two of three domains. Our analysis reveals ReGAL's abstractions encapsulate frequently-used subroutines as well as environment dynamics.

We propose a categorical semantics of gradient-based machine learning algorithms in terms of lenses, parametrised maps, and reverse derivative categories. This foundation provides a powerful explanatory and unifying framework: it encompasses a variety of gradient descent algorithms such as ADAM, AdaGrad, and Nesterov momentum, as well as a variety of loss functions such as as MSE and Softmax cross-entropy, shedding new light on their similarities and differences. Our approach to gradient-based learning has examples generalising beyond the familiar continuous domains (modelled in categories of smooth maps) and can be realized in the discrete setting of boolean circuits. Finally, we demonstrate the practical significance of our framework with an implementation in Python.

We propose a new dataset distillation algorithm using reparameterization and convexification of implicit gradients (RCIG), that substantially improves the state-of-the-art. To this end, we first formulate dataset distillation as a bi-level optimization problem. Then, we show how implicit gradients can be effectively used to compute meta-gradient updates. We further equip the algorithm with a convexified approximation that corresponds to learning on top of a frozen finite-width neural tangent kernel. Finally, we improve bias in implicit gradients by parameterizing the neural network to enable analytical computation of final-layer parameters given the body parameters. RCIG establishes the new state-of-the-art on a diverse series of dataset distillation tasks. Notably, with one image per class, on resized ImageNet, RCIG sees on average a 108% improvement over the previous state-of-the-art distillation algorithm. Similarly, we observed a 66% gain over SOTA on Tiny-ImageNet and 37% on CIFAR-100.

Communication is a key bottleneck for distributed graph neural network (GNN) training. This paper proposes GNNPipe, a new approach that scales the distributed full-graph deep GNN training. Being the first to use layer-level model parallelism for GNN training, GNNPipe partitions GNN layers among GPUs, each device performs the computation for a disjoint subset of consecutive GNN layers on the whole graph. Compared to graph parallelism with each GPU handling a graph partition, GNNPipe reduces the communication volume by a factor of the number of GNN layers. GNNPipe overcomes the unique challenges for pipelined layer-level model parallelism on the whole graph by partitioning it into dependent chunks, allowing the use of historical vertex embeddings, and applying specific training techniques to ensure convergence. We also propose a hybrid approach by combining GNNPipe with graph parallelism to handle large graphs, achieve better computer resource utilization and ensure model convergence. We build a general GNN training system supporting all three parallelism setting. Extensive experiments show that our method reduces the per-epoch training time by up to 2.45x (on average 1.58x) and reduces the communication volume and overhead by up to 22.89x and 27.21x (on average 8.69x and 11.60x), respectively, while achieving a comparable level of model accuracy and convergence speed compared to graph parallelism.

Model-based deep learning has achieved astounding successes due in part to the availability of large-scale real-world data. However, processing such massive amounts of data comes at a considerable cost in terms of computations, storage, training and the search for good neural architectures. Dataset distillation has thus recently come to the fore. This paradigm involves distilling information from large real-world datasets into tiny and compact synthetic datasets such that processing the latter ideally yields similar performances as the former. State-of-the-art methods primarily rely on learning the synthetic dataset by matching the gradients obtained during training between the real and synthetic data. However, these gradient-matching methods suffer from the so-called accumulated trajectory error caused by the discrepancy between the distillation and subsequent evaluation. To mitigate the adverse impact of this accumulated trajectory error, we propose a novel approach that encourages the optimization algorithm to seek a flat trajectory. We show that the weights trained on synthetic data are robust against the accumulated errors perturbations with the regularization towards the flat trajectory. Our method, called Flat Trajectory Distillation (FTD), is shown to boost the performance of gradient-matching methods by up to 4.7% on a subset of images of the ImageNet dataset with higher resolution images. We also validate the effectiveness and generalizability of our method with datasets of different resolutions and demonstrate its applicability to neural architecture search. Code is available at https://github.com/AngusDujw/FTD-distillation.

We introduce StreamDiffusion, a real-time diffusion pipeline designed for interactive image generation. Existing diffusion models are adept at creating images from text or image prompts, yet they often fall short in real-time interaction. This limitation becomes particularly evident in scenarios involving continuous input, such as Metaverse, live video streaming, and broadcasting, where high throughput is imperative. To address this, we present a novel approach that transforms the original sequential denoising into the batching denoising process. Stream Batch eliminates the conventional wait-and-interact approach and enables fluid and high throughput streams. To handle the frequency disparity between data input and model throughput, we design a novel input-output queue for parallelizing the streaming process. Moreover, the existing diffusion pipeline uses classifier-free guidance(CFG), which requires additional U-Net computation. To mitigate the redundant computations, we propose a novel residual classifier-free guidance (RCFG) algorithm that reduces the number of negative conditional denoising steps to only one or even zero. Besides, we introduce a stochastic similarity filter(SSF) to optimize power consumption. Our Stream Batch achieves around 1.5x speedup compared to the sequential denoising method at different denoising levels. The proposed RCFG leads to speeds up to 2.05x higher than the conventional CFG. Combining the proposed strategies and existing mature acceleration tools makes the image-to-image generation achieve up-to 91.07fps on one RTX4090, improving the throughputs of AutoPipline developed by Diffusers over 59.56x. Furthermore, our proposed StreamDiffusion also significantly reduces the energy consumption by 2.39x on one RTX3060 and 1.99x on one RTX4090, respectively.

Existing diffusion-based text-to-3D generation methods primarily focus on producing visually realistic shapes and appearances, often neglecting the physical constraints necessary for downstream tasks. Generated models frequently fail to maintain balance when placed in physics-based simulations or 3D printed. This balance is crucial for satisfying user design intentions in interactive gaming, embodied AI, and robotics, where stable models are needed for reliable interaction. Additionally, stable models ensure that 3D-printed objects, such as figurines for home decoration, can stand on their own without requiring additional supports. To fill this gap, we introduce Atlas3D, an automatic and easy-to-implement method that enhances existing Score Distillation Sampling (SDS)-based text-to-3D tools. Atlas3D ensures the generation of self-supporting 3D models that adhere to physical laws of stability under gravity, contact, and friction. Our approach combines a novel differentiable simulation-based loss function with physically inspired regularization, serving as either a refinement or a post-processing module for existing frameworks. We verify Atlas3D's efficacy through extensive generation tasks and validate the resulting 3D models in both simulated and real-world environments.

Implicitly defined, continuous, differentiable signal representations parameterized by neural networks have emerged as a powerful paradigm, offering many possible benefits over conventional representations. However, current network architectures for such implicit neural representations are incapable of modeling signals with fine detail, and fail to represent a signal's spatial and temporal derivatives, despite the fact that these are essential to many physical signals defined implicitly as the solution to partial differential equations. We propose to leverage periodic activation functions for implicit neural representations and demonstrate that these networks, dubbed sinusoidal representation networks or Sirens, are ideally suited for representing complex natural signals and their derivatives. We analyze Siren activation statistics to propose a principled initialization scheme and demonstrate the representation of images, wavefields, video, sound, and their derivatives. Further, we show how Sirens can be leveraged to solve challenging boundary value problems, such as particular Eikonal equations (yielding signed distance functions), the Poisson equation, and the Helmholtz and wave equations. Lastly, we combine Sirens with hypernetworks to learn priors over the space of Siren functions.

The structure learning problem consists of fitting data generated by a Directed Acyclic Graph (DAG) to correctly reconstruct its arcs. In this context, differentiable approaches constrain or regularize the optimization problem using a continuous relaxation of the acyclicity property. The computational cost of evaluating graph acyclicity is cubic on the number of nodes and significantly affects scalability. In this paper we introduce COSMO, a constraint-free continuous optimization scheme for acyclic structure learning. At the core of our method, we define a differentiable approximation of an orientation matrix parameterized by a single priority vector. Differently from previous work, our parameterization fits a smooth orientation matrix and the resulting acyclic adjacency matrix without evaluating acyclicity at any step. Despite the absence of explicit constraints, we prove that COSMO always converges to an acyclic solution. In addition to being asymptotically faster, our empirical analysis highlights how COSMO performance on graph reconstruction compares favorably with competing structure learning methods.

In recent years, various powerful policy gradient algorithms have been proposed in deep reinforcement learning. While all these algorithms build on the Policy Gradient Theorem, the specific design choices differ significantly across algorithms. We provide a holistic overview of on-policy policy gradient algorithms to facilitate the understanding of both their theoretical foundations and their practical implementations. In this overview, we include a detailed proof of the continuous version of the Policy Gradient Theorem, convergence results and a comprehensive discussion of practical algorithms. We compare the most prominent algorithms on continuous control environments and provide insights on the benefits of regularization. All code is available at https://github.com/Matt00n/PolicyGradientsJax.

The enduring challenge in the field of artificial intelligence has been the control of systems to achieve desired behaviours. While for systems governed by straightforward dynamics equations, methods like Linear Quadratic Regulation (LQR) have historically proven highly effective, most real-world tasks, which require a general problem-solver, demand world models with dynamics that cannot be easily described by simple equations. Consequently, these models must be learned from data using neural networks. Most model predictive control (MPC) algorithms designed for visual world models have traditionally explored gradient-free population-based optimisation methods, such as Cross Entropy and Model Predictive Path Integral (MPPI) for planning. However, we present an exploration of a gradient-based alternative that fully leverages the differentiability of the world model. In our study, we conduct a comparative analysis between our method and other MPC-based alternatives, as well as policy-based algorithms. In a sample-efficient setting, our method achieves on par or superior performance compared to the alternative approaches in most tasks. Additionally, we introduce a hybrid model that combines policy networks and gradient-based MPC, which outperforms pure policy based methods thereby holding promise for Gradient-based planning with world models in complex real-world tasks.

Transformer has shown state-of-the-art performance on various applications and has recently emerged as a promising tool for surrogate modeling of partial differential equations (PDEs). Despite the introduction of linear-complexity variant, applying attention to a large number of grid points can result in instability and is still expensive to compute. In this work, we propose Factorized Transformer(FactFormer), which is based on an axial factorized kernel integral. Concretely, we introduce a learnable projection operator that decomposes the input function into multiple sub-functions with one-dimensional domain. These sub-functions are then evaluated and used to compute the instance-based kernel with an axial factorized scheme. We showcase that the proposed model is able to simulate 2D Kolmogorov flow on a 256 by 256 grid and 3D smoke buoyancy on a 64 by 64 by 64 grid with good accuracy and efficiency. In addition, we find out that with the factorization scheme, the attention matrices enjoy a more compact spectrum than full softmax-free attention matrices.

Video generation has achieved significant advances through rectified flow techniques, but issues like unsmooth motion and misalignment between videos and prompts persist. In this work, we develop a systematic pipeline that harnesses human feedback to mitigate these problems and refine the video generation model. Specifically, we begin by constructing a large-scale human preference dataset focused on modern video generation models, incorporating pairwise annotations across multi-dimensions. We then introduce VideoReward, a multi-dimensional video reward model, and examine how annotations and various design choices impact its rewarding efficacy. From a unified reinforcement learning perspective aimed at maximizing reward with KL regularization, we introduce three alignment algorithms for flow-based models by extending those from diffusion models. These include two training-time strategies: direct preference optimization for flow (Flow-DPO) and reward weighted regression for flow (Flow-RWR), and an inference-time technique, Flow-NRG, which applies reward guidance directly to noisy videos. Experimental results indicate that VideoReward significantly outperforms existing reward models, and Flow-DPO demonstrates superior performance compared to both Flow-RWR and standard supervised fine-tuning methods. Additionally, Flow-NRG lets users assign custom weights to multiple objectives during inference, meeting personalized video quality needs. Project page: https://gongyeliu.github.io/videoalign.

Existing machine learning methods for causal inference usually estimate quantities expressed via the mean of potential outcomes (e.g., average treatment effect). However, such quantities do not capture the full information about the distribution of potential outcomes. In this work, we estimate the density of potential outcomes after interventions from observational data. For this, we propose a novel, fully-parametric deep learning method called Interventional Normalizing Flows. Specifically, we combine two normalizing flows, namely (i) a nuisance flow for estimating nuisance parameters and (ii) a target flow for parametric estimation of the density of potential outcomes. We further develop a tractable optimization objective based on a one-step bias correction for efficient and doubly robust estimation of the target flow parameters. As a result, our Interventional Normalizing Flows offer a properly normalized density estimator. Across various experiments, we demonstrate that our Interventional Normalizing Flows are expressive and highly effective, and scale well with both sample size and high-dimensional confounding. To the best of our knowledge, our Interventional Normalizing Flows are the first proper fully-parametric, deep learning method for density estimation of potential outcomes.

Accurate probabilistic predictions are essential for optimal decision making. While neural network miscalibration has been studied primarily in classification, we investigate this in the less-explored domain of regression. We conduct the largest empirical study to date to assess the probabilistic calibration of neural networks. We also analyze the performance of recalibration, conformal, and regularization methods to enhance probabilistic calibration. Additionally, we introduce novel differentiable recalibration and regularization methods, uncovering new insights into their effectiveness. Our findings reveal that regularization methods offer a favorable tradeoff between calibration and sharpness. Post-hoc methods exhibit superior probabilistic calibration, which we attribute to the finite-sample coverage guarantee of conformal prediction. Furthermore, we demonstrate that quantile recalibration can be considered as a specific case of conformal prediction. Our study is fully reproducible and implemented in a common code base for fair comparisons.