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Deep Learning · Algorithms

Erwan Fagnou, Paul Caillon, Blaise Delattre, Alexandre Allauzen

Despite being the cornerstone of deep learning, backpropagation is criticized for its inherent sequentiality, which can limit the scalability of very deep models.Such models faced convergence issues due to vanishing gradient, later resolved using residual connections. Variants of these are now widely used in modern architectures.However, the computational cost of backpropagation remains a major burden, accounting for most of the training time.Taking advantage of residual-like architectural designs, we introduce Highway backpropagation, a parallelizable iterative algorithm that approximates backpropagation, by alternatively i) accumulating the gradient estimates along the residual path, and ii) backpropagating them through every layer in parallel. This algorithm is naturally derived from a decomposition of the gradient as the sum of gradients flowing through all paths, and is adaptable to a diverse set of common architectures, ranging from ResNets and Transformers to recurrent neural networks.Through an extensive empirical study on a large selection of tasks and models, we evaluate Highway-BP and show that major speedups can be achieved with minimal performance degradation.

Theory · Optimization

Kenshi Abe, Mitsuki Sakamoto, Kaito Ariu, Atsushi Iwasaki

This paper presents a payoff perturbation technique, introducing a strong convexity to players' payoff functions in games. This technique is specifically designed for first-order methods to achieve last-iterate convergence in games where the gradient of the payoff functions is monotone in the strategy profile space, potentially containing additive noise. Although perturbation is known to facilitate the convergence of learning algorithms, the magnitude of perturbation requires careful adjustment to ensure last-iterate convergence. Previous studies have proposed a scheme in which the magnitude is determined by the distance from a periodically re-initialized anchoring or reference strategy. Building upon this, we propose Gradient Ascent with Boosting Payoff Perturbation, which incorporates a novel perturbation into the underlying payoff function, maintaining the periodically re-initializing anchoring strategy scheme. This innovation empowers us to provide faster last-iterate convergence rates against the existing payoff perturbed algorithms, even in the presence of additive noise.

Deep Learning · Large Language Models

Jiewen Hu, Thomas Zhu, Sean Welleck

Real-world formal theorem proving often depends on a wealth of context, including definitions, lemmas, comments, file structure, and other information. We introduce $\texttt{miniCTX}$, which tests a model's ability to prove formal mathematical theorems that depend on new context that is not seen during training. $\texttt{miniCTX}$ contains theorems sourced from real Lean projects and textbooks, each associated with a context that can span tens of thousands of tokens. Models are tasked with proving a theorem given access to code from the theorem's repository, which contains context that is needed for the proof. As a baseline for $\texttt{miniCTX}$, we tested fine-tuning and prompting methods that condition theorem proving on preceding context. Both approaches substantially outperform traditional methods that rely solely on state information. We found that this ability to use context is not captured by previous benchmarks such as $\texttt{miniF2F}$. Alongside $\texttt{miniCTX}$, we offer $\texttt{ntp-toolkit}$ for automatically extracting and annotating theorem proving data, making it easy to add new projects into $\texttt{miniCTX}$ to ensure that contexts are not seen during training. $\texttt{miniCTX}$ offers a challenging and realistic evaluation of neural theorem provers.

Deep Learning · Generative Models and Autoencoders

Michael Tschannen, André Susano Pinto, Alexander Kolesnikov

Removing modeling constraints and unifying architectures across domains has been a key driver of the recent progress in training large multimodal models. However, most of these models still rely on many separately trained components such as modality-specific encoders and decoders. In this work, we further streamline joint generative modeling of images and text. We propose an autoregressive decoder-only transformer---JetFormer---which is trained to directly maximize the likelihood of raw data, without relying on any separately pretrained components, and can understand and generate both text and images. Specifically, we leverage a normalizing flow model to obtain a soft-token image representation that is jointly trained with an autoregressive multimodal transformer. The normalizing flow model serves as both an image encoder for perception tasks and an image decoder for image generation tasks during inference. JetFormer achieves text-to-image generation quality competitive with recent VQVAE- and VAE-based baselines. These baselines rely on pretrained image autoencoders, which are trained with a complex mixture of losses, including perceptual ones. At the same time, JetFormer demonstrates robust image understanding capabilities. To the best of our knowledge, JetFormer is the first model that is capable of generating high-fidelity images and producing strong log-likelihood bounds.

Applications · Computer Vision

Donggoo Jung, Daehyun Kim, Tae Hyun Kim

Low-light image enhancement poses a significant challenge due to the limited information captured by image sensors in low-light environments. Despite recent improvements in deep learning models, the lack of paired training datasets remains a significant obstacle. Therefore, unsupervised methods have emerged as a promising solution. In this work, we focus on the strength of curve-adjustment-based approaches to tackle unsupervised methods. The majority of existing unsupervised curve-adjustment approaches iteratively estimate higher order curve parameters to enhance the exposure of images while efficiently preserving the details of the images. However, the convergence of the enhancement procedure cannot be guaranteed, leading to sensitivity to the number of iterations and limited performance. To address this problem, we consider the iterative curve-adjustment update process as a dynamic system and formulate it as a Neural Ordinary Differential Equations (NODE) for the first time, and this allows us to learn a continuous dynamics of the latent image. The strategy of utilizing NODE to leverage continuous dynamics in iterative methods enhances unsupervised learning and aids in achieving better convergence compared to discrete-space approaches. Consequently, we achieve state-of-the-art performance in unsupervised low-light image enhancement across various benchmark datasets.

Deep Learning · Everything Else

Erwan Fagnou, Paul Caillon, Blaise Delattre, Alexandre Allauzen

Despite being the cornerstone of deep learning, backpropagation is criticized for its inherent sequentiality, which can limit the scalability of very deep models.Such models faced convergence issues due to vanishing gradient, later resolved using residual connections. Variants of these are now widely used in modern architectures.However, the computational cost of backpropagation remains a major burden, accounting for most of the training time.Taking advantage of residual-like architectural designs, we introduce Highway backpropagation, a parallelizable iterative algorithm that approximates backpropagation, by alternatively i) accumulating the gradient estimates along the residual path, and ii) backpropagating them through every layer in parallel. This algorithm is naturally derived from a decomposition of the gradient as the sum of gradients flowing through all paths, and is adaptable to a diverse set of common architectures, ranging from ResNets and Transformers to recurrent neural networks.Through an extensive empirical study on a large selection of tasks and models, we evaluate Highway-BP and show that major speedups can be achieved with minimal performance degradation.

Keir Adams, Kento Abeywardane, Jenna Fromer, Connor Coley

Engineering molecules to exhibit precise 3D intermolecular interactions with their environment forms the basis of chemical design. In ligand-based drug design, bioisosteric analogues of known bioactive hits are often identified by virtually screening chemical libraries with shape, electrostatic, and pharmacophore similarity scoring functions. We instead hypothesize that a generative model which learns the joint distribution over 3D molecular structures and their interaction profiles may facilitate 3D interaction-aware chemical design. We specifically design ShEPhERD, an SE(3)-equivariant diffusion model which jointly diffuses/denoises 3D molecular graphs and representations of their shapes, electrostatic potential surfaces, and (directional) pharmacophores to/from Gaussian noise. Inspired by traditional ligand discovery, we compose 3D similarity scoring functions to assess ShEPhERD’s ability to conditionally generate novel molecules with desired interaction profiles. We demonstrate ShEPhERD’s potential for impact via exemplary drug design tasks including natural product ligand hopping, protein-blind bioactive hit diversification, and bioisosteric fragment merging.

Deep Learning · Large Language Models

Jiaxin Wen, Jian Guan, Hongning Wang, Wei Wu, Minlie Huang

Despite the remarkable success of large language models (LLMs) on traditional natural language processing tasks, their planning ability remains a critical bottleneck in tackling complex multi-step reasoning tasks. Existing approaches mainly rely on prompting or task-specific fine-tuning, often suffering from weak robustness and cross-task generalization. To address the limitation, we introduce CodePlan, a scalable paradigm that empowers LLMs to generate and follow code-form plans---pseudocode that outlines high-level, structured reasoning processes. By leveraging the structured and versatile nature of code, CodePlan effectively captures the rich semantics and control flows inherent to sophisticated reasoning. Importantly, CodePlan allows the automatic extraction of code-form plans from massive, wide-ranging text corpora without the need for curated, task-specific datasets. This enables it to scale up efficiently and improve reasoning capabilities across diverse scenarios. To train CodePlan, we construct a large-scale dataset of 2M examples that integrate code-form plans with standard prompt-response pairs from existing corpora. With minimal computation overhead during both training and inference, CodePlan achieves a 25.1\% relative improvement compared with directly generating responses, averaged across 13 challenging multi-step reasoning benchmarks, spanning mathematical reasoning, symbolic reasoning, instruction-following, multi-hop QA, and decision-making tasks. Further analysis reveals CodePlan's increasing performance gains on more complex reasoning tasks, as well as significant data efficiency thanks to its generalization ability.

Applications · Genetics, Cell Biology, Health, etc

Xingyu Su, Haiyang Yu, Degui Zhi, Shuiwang Ji

We consider the problem of predicting gene expressions from DNA sequences. A key challenge of this task is to find the regulatory elements that control gene expressions. Here, we introduce Seq2Exp, a Sequence to Expression network explicitly designed to discover and extract regulatory elements that drive target gene expression, enhancing the accuracy of the gene expression prediction. Our approach captures the causal relationship between epigenomic signals, DNA sequences and their associated regulatory elements. Specifically, we propose to decompose the epigenomic signals and the DNA sequence conditioned on the causal active regulatory elements, and apply an information bottleneck with the Beta distribution to combine their effects while filtering out non-causal components. Our experiments demonstrate that Seq2Exp outperforms existing baselines in gene expression prediction tasks and discovers influential regions compared to commonly used statistical methods for peak detection such as MACS3. The source code is released as part of the AIRS library (https://github.com/divelab/AIRS/).

Florian Eddie Dorner, Vivian Nastl, Moritz Hardt

High quality annotations are increasingly a bottleneck in the explosively growing machine learning ecosystem. Scalable evaluation methods that avoid costly annotation have therefore become an important research ambition. Many hope to use strong existing models in lieu of costly labels to provide cheap model evaluations. Unfortunately, this method of using models as judges introduces biases, such as self-preferencing, that can distort model comparisons. An emerging family of debiasing tools promises to fix these issues by using a few high quality labels to debias a large number of model judgments. In this paper, we study how far such debiasing methods, in principle, can go. Our main result shows that when the judge is no more accurate than the evaluated model, no debiasing method can decrease the required amount of ground truth labels by more than half. Our result speaks to the severe limitations of the LLM-as-a-judge paradigm at the evaluation frontier where the goal is to assess newly released models that are possibly better than the judge. Through an empirical evaluation, we demonstrate that the sample size savings achievable in practice are even more modest than what our theoretical limit suggests. Along the way, our work provides new observations about debiasing methods for model evaluation, and points out promising avenues for future work.

Joao V. Cavalcanti, Laurent Lessard, Ashia Wilson

Backtracking line search is foundational in numerical optimization. The basic idea is to adjust the step size of an algorithm by a {\em constant} factor until some chosen criterion (e.g. Armijo, Descent Lemma) is satisfied. We propose a novel way to adjust step sizes, replacing the constant factor used in regular backtracking with one that takes into account the degree to which the chosen criterion is violated, with no additional computational burden. This light-weight adjustment leads to significantly faster optimization, which we confirm by performing a variety of experiments on over fifteen real world datasets.For convex problems, we prove adaptive backtracking requires no more adjustments to produce a feasible step size than regular backtracking does.For nonconvex smooth problems, we prove adaptive backtracking enjoys the same guarantees of regular backtracking. %same lower bounds that step sizes produced by regular backtracking do.Furthermore, we prove adaptive backtracking preserves the convergence rates of gradient descent and its accelerated variant.

Theory · Learning Theory

Gautam Chandrasekaran, Adam Klivans, Lin Lin Lee, Konstantinos Stavropoulos

We give the first provably efficient algorithms for learning neural networks with respect to distribution shift. We work in the Testable Learning with Distribution Shift framework (TDS learning) of Klivans et al. (2024), where the learner receives labeled examples from a training distribution and unlabeled examples from a test distribution and must either output a hypothesis with low test error or reject if distribution shift is detected. No assumptions are made on the test distribution. All prior work in TDS learning focuses on classification, while here we must handle the setting of nonconvex regression. Our results apply to real-valued networks with arbitrary Lipschitz activations and work whenever the training distribution has strictly sub-exponential tails. For training distributions that are bounded and hypercontractive, we give a fully polynomial-time algorithm for TDS learning one hidden-layer networks with sigmoid activations. We achieve this by importing classical kernel methods into the TDS framework using data-dependent feature maps and a type of kernel matrix that couples samples from both train and test distributions.

Deep Learning · Large Language Models

Zhifan Ye, Kejing Xia, Yonggan Fu, Xin Dong, Jihoon Hong, Xiangchi Yuan, Shizhe Diao, Jan Kautz, Pavlo Molchanov, Yingyan Celine Lin

State space models (SSMs) have emerged as an efficient alternative to Transformer models for language modeling, offering linear computational complexity and constant memory usage as context length increases. However, despite their efficiency in handling long contexts, recent studies have shown that SSMs, such as Mamba models, generally underperform compared to Transformers in long-context understanding tasks. To address this significant shortfall and achieve both efficient and accurate long-context understanding, we propose LongMamba, a training-free technique that significantly enhances the long-context capabilities of Mamba models. LongMamba builds on our discovery that the hidden channels in Mamba can be categorized into local and global channels based on their receptive field lengths, with global channels primarily responsible for long-context capability. These global channels can become the key bottleneck as the input context lengthens. Specifically, when input lengths largely exceed the training sequence length, global channels exhibit limitations in adaptively extend their receptive fields, leading to Mamba’s poor long-context performance. The key idea of LongMamba is to mitigate the hidden state memory decay in these global channels by preventing the accumulation of unimportant tokens in their memory. This is achieved by first identifying critical tokens in the global channels and then applying token filtering to accumulate only those critical tokens. Through extensive benchmarking across synthetic and real-world long-context scenarios, LongMamba sets a new standard for Mamba’s long-context performance, significantly extending its operational range without requiring additional training. Our code is available at https://github.com/GATECH-EIC/LongMamba.

Applications · Computer Vision

Chen Hou, Zhibo Chen

We propose a training-free and robust solution to offer camera movement control for off-the-shelf video diffusion models. Unlike previous work, our method does not require any supervised finetuning on camera-annotated datasets or self-supervised training via data augmentation. Instead, it is plug-and-play with most pretrained video diffusion models and can generate camera-controllable videos with a single image or text prompt as input. The inspiration for our work comes from the layout prior that intermediate latents encode for the generated results, thus rearranging noisy pixels in them will cause the output content to relocate as well. As camera moving could also be seen as a type of pixel rearrangement caused by perspective change, videos can be reorganized following specific camera motion if their noisy latents change accordingly. Building on this, we propose **CamTrol**, which enables robust camera control for video diffusion models. It is achieved by a two-stage process. First, we model image layout rearrangement through explicit camera movement in 3D point cloud space. Second, we generate videos with camera motion by leveraging the layout prior of noisy latents formed by a series of rearranged images. Extensive experiments have demonstrated its superior performance in both video generation and camera motion alignment compared with other finetuned methods. Furthermore, we show the capability of CamTrol to generalize to various base models, as well as its impressive applications in scalable motion control, dealing with complicated trajectories and unsupervised 3D video generation. Videos available at https://lifedecoder.github.io/CamTrol/.

Reinforcement Learning · Batch/Offline

Yudong Zhang, Xuan Yu, Xu Wang, Zhaoyang Sun, Chen Zhang, Pengkun Wang, Yang Wang

Generative flow networks (GFlowNets) have been considered as powerful tools for generating candidates with desired properties. Given that evaluating the property of candidates can be complex and time-consuming, existing GFlowNets train proxy models for efficient online evaluation. However, the performance of proxy models is heavily dependent on the amount of data and is of considerable uncertainty. Therefore, it is of great interest that how to develop an offline GFlowNet that does not rely on online evaluation. Under the offline setting, the limited data results in an insufficient exploration of state space. The insufficient exploration means that offline GFlowNets can hardly generate satisfying candidates out of the distribution of training data. Therefore, it is critical to restrict the offline model to act in the distribution of training data. The distinctive training goal of GFlownets poses a unique challenge for making such restrictions. Tackling the challenge, we propose Conservative Offline GFlowNet (COFlowNet) in this paper. We define unsupported flow, edges containing unseen states in training data. Models can learn extremely little knowledge about unsupported flow from training data. By constraining the model from exploring unsupported flows, we restrict COFlowNet to explore as optimal trajectories on the training set as possible, thus generating better candidates. In order to improve the diversity of candidates, we further introduce a quantile version of unsupported flow restriction. Experimental results on several widely-used datasets validate the effectiveness of COFlowNet in generating high-scored and diverse candidates. All implementations are available at https://github.com/yuxuan9982/COflownet.

Applications · Computer Vision

Orr Zohar, Xiaohan Wang, Yonatan Bitton, Idan Szpektor, Serena Yeung

The performance and reasoning capabilities of Large Multi-modal Models (LMMs) is dependent on the size and quality of their training datasets. However, collecting datasets that support chain-of-thought instruction tuning is highly challenging. Existing video instruction tuning datasets are often derived by prompting large language models with video captions to generate question-answer pairs, which makes them predominantly descriptive rather than reasoning-focused. Meanwhile, many labeled video datasets with diverse labels and supervision exist -- however, we find that their integration into LMMs is non-trivial. Herein, we present $\underline{\text{Video}}$ $\underline{\text{S}}\text{elf}$-$\underline{\text{T}}\text{raining}$ $\text{with}$ $\underline{\text{a}}\text{ugmented}$ $\underline{\text{R}}\text{easoning}$ (Video-STaR), the first self-training approach for video instruction tuning. Video-STaR allows the utilization of *any* labeled video dataset for video instruction tuning.In Video-STaR, an LMM cycles between instruction generation and finetuning, which we show (I) improves general video understanding and (II) adapts LMMs to novel downstream tasks with existing supervision. During instruction generation, an LMM is prompted to propose an answer. The answers are then filtered only to those that contain the original video labels, and the LMM is then re-trained on the generated dataset. By training exclusively on generated answers containing the correct video labels, Video-STaR leverages these existing labels as weak supervision for video instruction tuning.Our results demonstrate that Video-STaR-augmented LMMs achieve notable improvements in (I) general Video QA, where TempCompass performance improved by 6.1%, *and* (II) downstream tasks, with a 9.9% increase in Kinetics700-QA accuracy and a 4.0% improvement in action quality assessment on FineDiving, while also exhibiting better interpretability.

Ching Lam Choi, Alexandre Duplessis, Serge Belongie

Gradient-based interpretations often require an anchor point of comparison to avoid saturation in computing feature importance. We show that current baselines defined using static functions—constant mapping, averaging or blurring—inject harmful colour, texture or frequency assumptions that deviate from model behaviour. This leads to accumulation of irregular gradients, resulting in attribution maps that are biased, fragile and manipulable. Departing from the static approach, we propose $\texttt{UNI}$ to compute an (un)learnable, debiased and adaptive baseline by perturbing the input towards an $\textit{unlearning direction}$ of steepest ascent. Our method discovers reliable baselines and succeeds in erasing salient features, which in turn locally smooths the high-curvature decision boundaries. Our analyses point to unlearning as a promising avenue for generating faithful, efficient and robust interpretations.

Social Aspects · Fairness, Equity, Justice and Safety

Shicheng Xu, Liang Pang, Yunchang Zhu, Huawei Shen, Xueqi Cheng

Vision-language alignment in Large Vision-Language Models (LVLMs) successfully enables LLMs to understand visual input. However, we find that existing vision-language alignment methods fail to transfer the existing safety mechanism for text in LLMs to vision, which leads to vulnerabilities in toxic image. To explore the cause of this problem, we give the insightful explanation of where and how the safety mechanism of LVLMs operates and conduct comparative analysis between text and vision. We find that the hidden states at the specific transformer layers play a crucial role in the successful activation of safety mechanism, while the vision-language alignment at hidden states level in current methods is insufficient. This results in a semantic shift for input images compared to text in hidden states, therefore misleads the safety mechanism. To address this, we propose a novel Text-Guided vision-language Alignment method (TGA) for LVLMs. TGA retrieves the texts related to input vision and uses them to guide the projection of vision into the hidden states space in LLMs. Experiments show that \textbf{TGA} not only successfully transfers the safety mechanism for text in basic LLMs to vision in vision-language alignment for LVLMs without any safety fine-tuning on the visual modality but also maintains the general performance on various vision tasks (Safe and Good). Code is in supplemental material and will be released on GitHub after acceptance.

Applications · Computer Vision

Alexey Bochkovskiy, Amaël Delaunoy, Hugo Germain, Marcel Santos, Yichao Zhou, Stephan Richter, Vladlen Koltun

We present a foundation model for zero-shot metric monocular depth estimation. Our model, Depth Pro, synthesizes high-resolution depth maps with unparalleled sharpness and high-frequency details. The predictions are metric, with absolute scale, without relying on the availability of metadata such as camera intrinsics. And the model is fast, producing a 2.25-megapixel depth map in 0.3 seconds on a standard GPU. These characteristics are enabled by a number of technical contributions, including an efficient multi-scale vision transformer for dense prediction, a training protocol that combines real and synthetic datasets to achieve high metric accuracy alongside fine boundary tracing, dedicated evaluation metrics for boundary accuracy in estimated depth maps, and state-of-the-art focal length estimation from a single image. Extensive experiments analyze specific design choices and demonstrate that Depth Pro outperforms prior work along multiple dimensions. We release code & weights at https://github.com/apple/ml-depth-pro

Haian Jin, Hanwen Jiang, Hao Tan, Kai Zhang, Sai Bi, Tianyuan Zhang, Fujun Luan, Noah Snavely, Zexiang Xu

We propose the Large View Synthesis Model (LVSM), a novel transformer-based approach for scalable and generalizable novel view synthesis from sparse-view inputs. We introduce two architectures: (1) an encoder-decoder LVSM, which encodes input image tokens into a fixed number of 1D latent tokens, functioning as a fully learned scene representation, and decodes novel-view images from them; and (2) a decoder-only LVSM, which directly maps input images to novel-view outputs, completely eliminating intermediate scene representations. Both models bypass the 3D inductive biases used in previous methods---from 3D representations (e.g., NeRF, 3DGS) to network designs (e.g., epipolar projections, plane sweeps)---addressing novel view synthesis with a fully data-driven approach. While the encoder-decoder model offers faster inference due to its independent latent representation, the decoder-only LVSM achieves superior quality, scalability, and zero-shot generalization, outperforming previous state-of-the-art methods by 1.5 to 3.5 dB PSNR. Comprehensive evaluations across multiple datasets demonstrate that both LVSM variants achieve state-of-the-art novel view synthesis quality, delivering superior performance even with reduced computational resources (1-2 GPUs). Please see our anonymous website for more details: https://haian-jin.github.io/projects/LVSM/