论文检索

Deep Learning · Attention Mechanisms

Mingzhen He, Ruikai Yang, Hanling Tian, Youmei Qiu, Xiaolin Huang

Graph Transformers (GTs) have emerged as a promising approach for graph representation learning. Despite their successes, the quadratic complexity of GTs limits scalability on large graphs due to their pair-wise computations. To fundamentally reduce the computational burden of GTs, we propose a primal-dual framework that interprets the self-attention mechanism on graphs as a dual representation. Based on this framework, we develop Primphormer, an efficient GT that leverages a primal representation with linear complexity. Theoretical analysis reveals that Primphormer serves as a universal approximator for functions on both sequences and graphs, while also retaining its expressive power for distinguishing non-isomorphic graphs.Extensive experiments on various graph benchmarks demonstrate that Primphormer achieves competitive empirical results while maintaining a more user-friendly memory and computational costs.

Deep Learning · Theory

Yingzhen Yang

Sharp generalization bound for neural networks trained by gradient descent (GD) is of central interest in statistical learning theory and deep learning. In this paper, we consider nonparametric regressionby an over-parameterized two-layer NN trained by GD. We show that, if the neural network is trained by GD with early stopping, then the trained network renders a sharp rate of the nonparametric regression risk of $O(\epsilon_n^2)$, which is the same rate as that for the classical kernel regression trained by GD with early stopping, where $\epsilon_n$ is the critical population rate of the Neural Tangent Kernel (NTK) associated with the network and $n$ is the size of the training data. It is remarked that our result does not require distributional assumptions on the covariate as long as the covariate lies on the unit sphere, in a strong contrast with many existing results which rely on specific distributions such as the spherical uniform data distribution or distributions satisfying certain restrictive conditions.As a special case of our general result, when the eigenvalues of the associated NTKdecay at a rate of $\lambda_j \asymp j^{-\frac{d}{d-1}}$ for $j \ge 1$ which happens under certain distributional assumption such as the training features follow the spherical uniform distribution, we immediately obtain the minimax optimal rate of$O(n^{-\frac{d}{2d-1}})$, which is the major results of several existing works in this direction. The neural network width in our general result is lower bounded by a function of only $d$ and $\epsilon_n$, and such width does not depend on the minimum eigenvalue of the empirical NTK matrix whose lower bound usually requires additional assumptions on the training data.Our results are built upon two significant technical results which are of independent interest. First, uniform convergence to the NTK is established during the training process by GD, so that we can have a nice decomposition of the neural network function at any step of the GD into a function in the ReproducingKernel Hilbert Space associated with the NTK and an error function with a small $L^{\infty}$-norm. Second, local Rademacher complexity is employedto tightly bound the Rademacher complexity of the function class comprising all the possible neural network functions obtained by GD. Our resultformally fills the gap between training a classical kernel regression model and training an over-parameterized but finite-width neural network by GD for nonparametric regression without distributional assumptions about the spherical covariate.

Social Aspects · Accountability, Transparency, and Interpretability

Hanzhang Wang, Qingyuan Ma

Typographic attacks are often attributed to the ability of multimodal pre-trained models to fuse textual semantics into visual representations, yet the mechanisms and locus of such interference remain unclear. We examine whether such models genuinely encode textual semantics or primarily rely on texture-based visual features. To disentangle orthographic form from meaning, we introduce the ToT dataset, which includes controlled word pairs that either share semantics with distinct appearances (synonyms) or share appearance with differing semantics (paronyms). A layer-wise analysis of Intrinsic Dimension (ID) reveals that early layers exhibit competing dynamics between orthographic and semantic representations. In later layers, semantic accuracy increases as ID decreases, but this improvement largely stems from orthographic disambiguation. Notably, clear semantic differentiation emerges only in the final block, challenging the common assumption that semantic understanding is progressively constructed across depth. These findings reveal how current vision-language models construct text representations through texture-dependent processes, prompting a reconsideration of the gap between visual perception and semantic understanding. The code is available at: https://github.com/Ovsia/Textural-or-Textual

Deep Learning · Graph Neural Networks

Wei Zhuo, Han Yu, Guang Tan, Xiaoxiao Li

Graph Neural Networks (GNNs) have shown remarkable success in learning from graph-structured data. However, their application to directed graphs (digraphs) presents unique challenges, primarily due to the inherent asymmetry in node relationships. Traditional GNNs are adept at capturing unidirectional relations but fall short in encoding the mutual path dependencies between nodes, such as asymmetrical shortest paths typically found in digraphs. Recognizing this gap, we introduce Commute Graph Neural Networks (CGNN), an approach that seamlessly integrates node-wise commute time into the message passing scheme. The cornerstone of CGNN is an efficient method for computing commute time using a newly formulated digraph Laplacian. Commute time is then integrated into the neighborhood aggregation process, with neighbor contributions weighted according to their respective commute time to the central node in each layer. It enables CGNN to directly capture the mutual, asymmetric relationships in digraphs. Extensive experiments on 8 benchmarking datasets confirm the superiority of CGNN against 13 state-of-the-art methods.

Applications · Computer Vision

Ismail Alkhouri, Shijun Liang, Cheng-Han Huang, Jimmy Dai, Qing Qu, Saiprasad Ravishankar, Rongrong Wang

Diffusion models (DMs) are a class of generative models that allow sampling from a distribution learned over a training set. When applied to solving inverse problems, the reverse sampling steps are modified to approximately sample from a measurement-conditioned distribution. However, these modifications may be unsuitable for certain settings (e.g., presence of measurement noise) and non-linear tasks, as they often struggle to correct errors from earlier steps and generally require a large number of optimization and/or sampling steps. To address these challenges, we state three conditions for achieving measurement-consistent diffusion trajectories. Building on these conditions, we propose a new optimization-based sampling method that not only enforces standard data manifold measurement consistency and forward diffusion consistency, as seen in previous studies, but also incorporates our proposed step-wise and network-regularized backward diffusion consistency that maintains a diffusion trajectory by optimizing over the input of the pre-trained model at every sampling step. By enforcing these conditions (implicitly or explicitly), our sampler requires significantly fewer reverse steps. Therefore, we refer to our method as **S**tep-w**i**se **T**riple-**Co**nsistent Sa**m**pling (**SITCOM**). Compared to SOTA baselines, our experiments across several linear and non-linear tasks (with natural and medical images) demonstrate that SITCOM achieves competitive or superior results in terms of standard similarity metrics and run-time.

Deep Learning · Other Representation Learning

Dianwen Ng, Kun Zhou, Yi-Wen Chao, Zhiwei Xiong, Bin Ma, EngSiong Chng

Achieving high-fidelity audio compression while preserving perceptual quality across diverse audio types remains a significant challenge in Neural Audio Coding (NAC). This paper introduces MUFFIN, a fully convolutional NAC framework that leverages psychoacoustically guided multi-band frequency reconstruction. Central to MUFFIN is the Multi-Band Spectral Residual Vector Quantization (MBS-RVQ) mechanism, which quantizes latent speech across different frequency bands. This approach optimizes bitrate allocation and enhances fidelity based on psychoacoustic studies, achieving efficient compression with unique perceptual features that separate content from speaker attributes through distinct codebooks. MUFFIN integrates a transformer-inspired convolutional architecture with proposed modified snake activation functions to capture fine frequency details with greater precision. Extensive evaluations on diverse datasets (LibriTTS, IEMOCAP, GTZAN, BBC) demonstrate MUFFIN’s ability to consistently surpass existing performance in audio reconstruction across various domains. Notably, a high-compression variant achieves an impressive SOTA 12.5 kHz rate while preserving reconstruction quality. Furthermore, MUFFIN excels in downstream generative tasks, demonstrating its potential as a robust token representation for integration with large language models. These results establish MUFFIN as a groundbreaking advancement in NAC and as the first neural psychoacoustic coding system. Speech demos and codes are available at \url{https://demos46.github.io/muffin/} and \url{https://github.com/dianwen-ng/MUFFIN}.

General Machine Learning · Causality

Yang Xu, Wenbin Lu, Rui Song

Interference, a key concept in causal inference, extends the reward modeling process by accounting for the impact of one unit's actions on the rewards of others. In contextual bandit (CB) settings where multiple units are present in the same round, interference can significantly affect the estimation of expected rewards for different arms, thereby influencing the decision-making process. Although some prior work has explored multi-agent and adversarial bandits in interference-aware settings, how to model interference in CB remains significantly underexplored. In this paper, we introduce a systematic framework to address interference in Linear CB (LinCB), bridging the gap between causal inference and online decision-making. We propose a series of algorithms that explicitly quantify the interference effect in the reward modeling process and provide comprehensive theoretical guarantees, including sublinear regret bounds, finite sample upper bounds, and asymptotic properties. The effectiveness of our approach is demonstrated through simulations and a synthetic data generated based on MovieLens data.

General Machine Learning · Causality

Yuguang Yan, Zongyu Li, Haolin Yang, Zeqin Yang, Hao Zhou, Ruichu Cai, Zhifeng Hao

Causal inference seeks to estimate the effect given a treatment such as a medicine or the dosage of a medication. To reduce the confounding bias caused by the non-randomized treatment assignment, most existing methods reduce the shift between subpopulations receiving different treatments. However, these methods split limited training samples into smaller groups, which cuts down the number of samples in each group, while precise distribution estimation and alignment highly rely on a sufficient number of training samples. In this paper, we propose a distribution alignment paradigm without data splitting, which can be naturally applied in the settings of binary and continuous treatments. To this end, we characterize the confounding bias by considering different probability measures of the same set including all the training samples, and exploit the optimal transport theory to analyze the confounding bias and outcome estimation error. Based on this, we propose to learn balanced representations by reducing the bias between the marginal distribution and the conditional distribution of a treatment. As a result, data reduction caused by splitting is avoided, and the outcome prediction model trained on one treatment group can be generalized to the entire population. The experiments on both binary and continuous treatment settings demonstrate the effectiveness of our method.

Deep Learning · Large Language Models

Junlong Li, Daya Guo, Dejian Yang, Runxin Xu, Yu Wu, Junxian He

Reasoning is a fundamental capability of Large Language Models. While prior research predominantly focuses on enhancing narrow skills like math or code generation, improving performance on many other reasoning tasks remains challenging due to sparse and fragmented training data. To address this issue, we propose CodeI/O, a novel approach that systematically condenses diverse reasoning patterns inherently embedded in contextually-grounded codes, through transforming the original code into a code input-output prediction format. By training models to predict inputs/outputs given code and test cases entirely in natural language as Chain-of-Thought (CoT) rationales, we expose them to universal reasoning primitives—like logic flow planning, state-space searching, decision tree traversal, and modular decomposition—while decoupling structured reasoning from code-specific syntax and preserving procedural rigor. Experimental results demonstrate CodeI/O leads to consistent improvements across symbolic, scientific, logic, math & numerical, and commonsense reasoning tasks. By matching the existing ground-truth outputs or re-executing the code with predicted inputs, we can verify each prediction and further enhance the CoTs through multi-turn revision, resulting in CodeI/O++ and achieving higher performance. Our data and models will be publicly available.

Applications · Chemistry, Physics, and Earth Sciences

Louis Serrano, Armand Kassaï Koupaï, Thomas Wang, Pierre ERBACHER, patrick gallinari

Solving time-dependent parametric partial differential equations (PDEs) is challenging for data-driven methods, as these models must adapt to variations in parameters such as coefficients, forcing terms, and initial conditions. State-of-the-art neural surrogates perform adaptation through gradient-based optimization and meta-learning to implicitly encode the variety of dynamics from observations. This often comes with increased inference complexity. Inspired by the in-context learning capabilities of large language models (LLMs), we introduce Zebra, a novel generative auto-regressive transformer designed to solve parametric PDEs without requiring gradient adaptation at inference. By leveraging in-context information during both pre-training and inference, Zebra dynamically adapts to new tasks by conditioning on input sequences that incorporate context example trajectories. As a generative model, Zebra can be used to generate new trajectories and allows quantifying the uncertainty of the predictions. We evaluate Zebra across a variety of challenging PDE scenarios, demonstrating its adaptability, robustness, and superior performance compared to existing approaches.

Applications · Robotics

Haojun Chen, Minghao Liu, Chengdong Ma, Xiaojian Ma, Zailin Ma, Huimin Wu, Yuanpei Chen, Yifan Zhong, Mingzhi Wang, Qing Li 等

Diffusion policies are widely adopted in complex visuomotor tasks for their ability to capture multimodal action distributions. However, the multiple sampling steps required for action generation significantly harm real-time inference efficiency, which limits their applicability in real-time decision-making scenarios. Existing acceleration techniques either require retraining or degrade performance under low sampling steps. Here we propose Falcon, which mitigates this speed-performance trade-off and achieves further acceleration. The core insight is that visuomotor tasks exhibit sequential dependencies between actions. Falcon leverages this by reusing partially denoised actions from historical information rather than sampling from Gaussian noise at each step. By integrating current observations, Falcon reduces sampling steps while preserving performance. Importantly, Falcon is a training-free algorithm that can be applied as a plug-in to further improve decision efficiency on top of existing acceleration techniques. We validated Falcon in 48 simulated environments and 2 real-world robot experiments. demonstrating a 2-7x speedup with negligible performance degradation, offering a promising direction for efficient visuomotor policy design.

Deep Learning · Large Language Models

Tingchen Fu, Mrinank Sharma, Phil Torr, Shay Cohen, David Krueger, Fazl Barez

Preference learning is a central component for aligning current LLMs, but this process can be vulnerable to data poisoning attacks. To address this concern, we introduce PoisonBench, a benchmark for evaluating large language models' susceptibility to data poisoning during preference learning. Data poisoning attacks can manipulate large language model responses to include hidden malicious content or biases, potentially causing the model to generate harmful or unintended outputs while appearing to function normally. We deploy two distinct attack types across eight realistic scenarios, assessing 22 widely-used models. Our findings reveal concerning trends: (1) Scaling up parameter size does not always enhance resilience against poisoning attacks and the influence on model resilience varies among different model suites. (2) There exists a log-linear relationship between the effects of the attack and the data poison ratio; (3) The effect of data poisoning can generalize to extrapolated triggers that are not included in the poisoned data. These results expose weaknesses in current preference learning techniques, highlighting the urgent need for more robust defenses against malicious models and data manipulation.

Optimization · Large Scale, Parallel and Distributed

Haozhao Wang, Shengyu Wang, Jiaming Li, Hao Ren, Xingshuo Han, Wenchao Xu, Shangwei Guo, Tianwei Zhang, Ruixuan Li

Semi-supervised Federated Learning (SSFL) is a promising approach that allows clients to collaboratively train a global model in the absence of their local data labels. The key step of SSFL is the re-labeling where each client adopts two types of available models, namely global and local models, to re-label the local data. While various technologies such as using the global model or the average of two models have been proposed to conduct the re-labeling step, little literature delves deeply into the performance dominance and limitations of the two models. In this paper, we first theoretically and empirically demonstrate that the local model achieves higher re-labeling accuracy over local data while the global model can progressively improve the re-labeling performance by introducing the extra data knowledge of other clients. Based on these findings, we propose BSemiFL which re-labels the local data through the collaboration between the local and global model in a Bayesian approach. Specifically, to re-label any given local sample, BSemiFL first uses Bayesian inference to assess the closeness of the local/global model to the sample. Then, it applies a weighted combination of their pseudo labels, using the closeness as the weights. Theoretical analysis shows that the labeling error of our method is smaller than that of simply using the global model, the local model, or their simple average. Experimental results show that BSemiFL improves the performance by up to $9.8\%$ as compared to state-of-the-art methods.

General Machine Learning · Evaluation

Mislav Balunovic, Jasper Dekoninck, Nikola Jovanović, Ivo Petrov, Martin Vechev

While Large Language Models (LLMs) demonstrate impressive performance in mathematics, existing math benchmarks come with significant limitations. Many focus on problems with fixed ground-truth answers, and are often saturated due to problem simplicity or the viability of guessing or memorization. Crucially, they capture only a narrow subset of relevant math problems. To address this research gap, we introduce MathConstruct, a new benchmark of 127 challenging problems sourced from various math competitions, which targets *constructive proofs*, a widely encountered problem type requiring the construction of mathematical objects with specific properties. These proofs are particularly suitable for LLM evaluation, as solution correctness can be easily verified. Our automated verifiers also enable MathConstruct to generate problem variations, used to evaluate robustness. State-of-the-art LLMs solve only 41\% of MathConstruct problems, highlighting its complexity and importance for LLM evaluation.

Applications · Neuroscience, Cognitive Science

Ben Lonnqvist, Elsa Scialom, Abdulkadir Gokce, Zehra Merchant, Michael Herzog, Martin Schrimpf

Despite the tremendous success of deep learning in computer vision, models still fall behind humans in generalizing to new input distributions. Existing benchmarks do not investigate the specific failure points of models by analyzing performance under many controlled conditions. Our study systematically dissects where and why models struggle with contour integration - a hallmark of human vision -- by designing an experiment that tests object recognition under various levels of object fragmentation. Humans (n=50) perform at high accuracy, even with few object contours present. This is in contrast to models which exhibit substantially lower sensitivity to increasing object contours, with most of the over 1,000 models we tested barely performing above chance. Only at very large scales ($\sim5B$ training dataset size) do models begin to approach human performance. Importantly, humans exhibit an integration bias - a preference towards recognizing objects made up of directional fragments over directionless fragments. We find that not only do models that share this property perform better at our task, but that this bias also increases with model training dataset size, and training models to exhibit contour integration leads to high shape bias. Taken together, our results suggest that contour integration is a hallmark of object vision that underlies object recognition performance, and may be a mechanism learned from data at scale.

Applications · Chemistry, Physics, and Earth Sciences

Mingquan Feng, Weixin Liao, Yixin Huang, Yifan Fu, Qifu Zheng, Junchi Yan

Neural operators have emerged as a promising approach for solving high-dimensional partial differential equations (PDEs). However, existing neural operators often have difficulty in dealing with constrained PDEs, where the solution must satisfy additional equality or inequality constraints beyond the governing equations. To close this gap, we propose a novel neural operator, Hyper Extended Adaptive PDHG (HEAP) for constrained high-dim PDEs, where the learned operator evolves in the parameter space of PDEs. We first show that the evolution operator learning can be formulated as a quadratic programming (QP) problem, then unroll the adaptive primal-dual hybrid gradient (APDHG) algorithm as the QP-solver into the neural operator architecture. This allows us to improve efficiency while retaining theoretical guarantees of the constrained optimization. Empirical results on a variety of high-dim PDEs show that HEAP outperforms the state-of-the-art neural operator model.

Deep Learning · Foundation Models

Benjamin Feuer, Chinmay Hegde

Language model (LLM) post-training can refine behaviors and unlock new skills, but the open science supporting these post-training techniques is still in its infancy. One limiting factor has been the difficulty of conducting large-scale comparative analyses of synthetic data generating models and LLM judges. To close this gap, we introduce WildChat-50M, the largest public chat dataset to date. We extend the existing WildChat dataset to include responses not only from GPT, but from over 50 different open-weight models, ranging in size from 0.5B to 104B parameters. We conduct an extensive comparative analysis and demonstrate the potential of this dataset by creating Re-Wild, our own public SFT mix, which outperforms the recent Tulu-3 SFT mixture from Allen AI with only 40% as many samples.

Theory · Online Learning and Bandits

Puning Zhao, Rongfei Fan, Shaowei Wang, Li Shen, Qixin Zhang, Zong Ke, Tianhang Zheng

Nonparametric contextual bandit is an important model of sequential decision making problems. Under $\alpha$-Tsybakov margin condition, existing research has established a regret bound of $\tilde{O}\left(T^{1-\frac{\alpha+1}{d+2}}\right)$ for bounded supports. However, the optimal regret with unbounded contexts has not been analyzed. The challenge of solving contextual bandit problems with unbounded support is to achieve both exploration-exploitation tradeoff and bias-variance tradeoff simultaneously. In this paper, we solve the nonparametric contextual bandit problem with unbounded contexts. We propose two nearest neighbor methods combined with UCB exploration. The first method uses a fixed $k$. Our analysis shows that this method achieves minimax optimal regret under a weak margin condition and relatively light-tailed context distributions. The second method uses adaptive $k$. By a proper data-driven selection of $k$, this method achieves an expected regret of $\tilde{O}\left(T^{1-\frac{(\alpha+1)\beta}{\alpha+(d+2)\beta}}+T^{1-\beta}\right)$, in which $\beta$ is a parameter describing the tail strength. This bound matches the minimax lower bound up to logarithm factors, indicating that the second method is approximately optimal.

Applications · Neuroscience, Cognitive Science

Xinxu Wei, kanhao zhao, Yong Jiao, Hua Xie, Lifang He, Yu Zhang

Effectively utilizing extensive unlabeled high-density EEG data to improve performance in scenarios with limited labeled low-density EEG data presents a significant challenge. In this paper, we address this challenge by formulating it as a graph transfer learning and knowledge distillation problem. We propose a Unified Pre-trained Graph Contrastive Masked Autoencoder Distiller, named EEG-DisGCMAE, to bridge the gap between unlabeled and labeled as well as high- and low-density EEG data. Our approach introduces a novel unified graph self-supervised pre-training paradigm, which seamlessly integrates the graph contrastive pre-training with the graph masked autoencoder pre-training. Furthermore, we propose a graph topology distillation loss function, allowing a lightweight student model trained on low-density data to learn from a teacher model trained on high-density data during pre-training and fine-tuning. This method effectively handles missing electrodes through contrastive distillation. We validate the effectiveness of EEG-DisGCMAE across four classification tasks using two clinical EEG datasets with abundant data.

Applications · Computer Vision

Xingyu Miao, Haoran Duan, Yang Long, Jungong Han

Score Distillation Sampling (SDS) has emerged as a prominent method for text-to-3D generation by leveraging the strengths of 2D diffusion models. However, SDS is limited to generation tasks and lacks the capability to edit existing 3D assets. Conversely, variants of SDS that introduce editing capabilities often can not generate new 3D assets effectively. In this work, we observe that the processes of generation and editing within SDS and its variants have unified underlying gradient terms. Building on this insight, we propose Unified Distillation Sampling (UDS), a method that seamlessly integrates both the generation and editing of 3D assets. Essentially, UDS refines the gradient terms used in vanilla SDS methods, unifying them to support both tasks. Extensive experiments demonstrate that UDS not only outperforms baseline methods in generating 3D assets with richer details but also excels in editing tasks, thereby bridging the gap between 3D generation and editing.