ICML 2025 论文列表

International Conference on Machine Learning

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3,342篇论文

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    2,99689.6%

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Neural Interpretable PDEs: Harmonizing Fourier Insights with Attention for Scalable and Interpretable Physics Discovery

Ning Liu, Yue Yu

展开摘要

Attention mechanisms have emerged as transformative tools in core AI domains such as natural language processing and computer vision. Yet, their largely untapped potential for modeling intricate physical systems presents a compelling frontier. Learning such systems often entails discovering operators that map between functional spaces using limited instances of function pairs---a task commonly framed as a severely ill-posed inverse PDE problem. In this work, we introduce Neural Interpretable PDEs (NIPS), a novel neural operator architecture that builds upon and enhances Nonlocal Attention Operators (NAO) in both predictive accuracy and computational efficiency. NIPS employs a linear attention mechanism to enable scalable learning and integrates a learnable kernel network that acts as a channel-independent convolution in Fourier space. As a consequence, NIPS eliminates the need to explicitly compute and store large pairwise interactions, effectively amortizing the cost of handling spatial interactions into the Fourier transform. Empirical evaluations demonstrate that NIPS consistently surpasses NAO and other baselines across diverse benchmarks, heralding a substantial leap in scalable, interpretable, and efficient physics learning. Our code and data accompanying this paper are available at https://github.com/fishmoon1234/Nonlocal-Attention-Operator.

Poster
DUNIA: Pixel-Sized Embeddings via Cross-Modal Alignment for Earth Observation Applications

Ibrahim Fayad, Max Zimmer, Martin Schwartz, Fabian Gieseke, Philippe CIAIS, Gabriel Belouze, Sarah Brood, Aurélien de Truchis, Alexandre d'Aspremont

展开摘要

Significant efforts have been directed towards adapting self-supervised multimodal learning for Earth observation applications. However, most current methods produce coarse patch-sized embeddings, limiting their effectiveness and integration with other modalities like LiDAR. To close this gap, we present DUNIA, an approach to learn pixel-sized embeddings through cross-modal alignment between images and full-waveform LiDAR data. As the model is trained in a contrastive manner, the embeddings can be directly leveraged in the context of a variety of environmental monitoring tasks in a zero-shot setting. In our experiments, we demonstrate the effectiveness of the embeddings for seven such tasks: canopy height mapping, fractional canopy cover, land cover mapping, tree species identification, plant area index, crop type classification, and per-pixel waveform-based vertical structure mapping. The results show that the embeddings, along with zero-shot classifiers, often outperform specialized supervised models, even in low-data regimes. In the fine-tuning setting, we show strong performances near or better than the state-of-the-art on five out of six tasks.

Poster
Deep Ridgelet Transform and Unified Universality Theorem for Deep and Shallow Joint-Group-Equivariant Machines

Sho Sonoda, Yuka Hashimoto, Isao Ishikawa, Masahiro Ikeda

展开摘要

We present a constructive universal approximation theorem for learning machines equipped with joint-group-equivariant feature maps, called the joint-equivariant machines, based on the group representation theory. ``Constructive'' here indicates that the distribution of parameters is given in a closed-form expression known as the ridgelet transform. Joint-group-equivariance encompasses a broad class of feature maps that generalize classical group-equivariance. Particularly, fully-connected networks are *not* group-equivariant *but* are joint-group-equivariant. Our main theorem also unifies the universal approximation theorems for both shallow and deep networks. Until this study, the universality of deep networks has been shown in a different manner from the universality of shallow networks, but our results discuss them on common ground. Now we can understand the approximation schemes of various learning machines in a unified manner. As applications, we show the constructive universal approximation properties of four examples: depth-$n$ joint-equivariant machine, depth-$n$ fully-connected network, depth-$n$ group-convolutional network, and a new depth-$2$ network with quadratic forms whose universality has not been known.

Poster
Mind Your Step (by Step): Chain-of-Thought can Reduce Performance on Tasks where Thinking Makes Humans Worse

Ryan Liu, Jiayi Geng, Addison J. Wu, Ilia Sucholutsky, Tania Lombrozo, Thomas L. Griffiths

展开摘要

Chain-of-thought (CoT) prompting has become a widely used strategy for improving large language and multimodal model performance. However, it is still an open question under which settings CoT systematically reduces performance. In this paper, we seek to identify the characteristics of tasks where CoT reduces performance by drawing inspiration from cognitive psychology, focusing on six representative tasks from the psychological literature where deliberation hurts performance in humans. In three of these tasks, state-of-the-art models exhibit significant performance drop-offs with CoT (up to 36.3\% absolute accuracy for OpenAI o1-preview compared to GPT-4o), while in others, CoT effects are mixed, with positive, neutral, and negative changes. While models and humans do not exhibit perfectly parallel cognitive processes, considering cases where thinking has negative consequences for humans helps identify settings where it negatively impacts models. By connecting the literature on human verbal thinking and deliberation with evaluations of CoT, we offer a perspective for understanding the impact of inference-time reasoning.

Poster
Dendritic Localized Learning: Toward Biologically Plausible Algorithm

Changze Lv, Jingwen Xu, Yiyang Lu, Xiaohua Wang, Zhenghua Wang, Zhibo Xu, Di Yu, Xin Du, Xiaoqing Zheng, Xuanjing Huang

展开摘要

Backpropagation is the foundational algorithm for training neural networks and a key driver of deep learning's success. However, its biological plausibility has been challenged due to three primary limitations: weight symmetry, reliance on global error signals, and the dual-phase nature of training, as highlighted by the existing literature. Although various alternative learning approaches have been proposed to address these issues, most either fail to satisfy all three criteria simultaneously or yield suboptimal results. Inspired by the dynamics and plasticity of pyramidal neurons, we propose Dendritic Localized Learning (DLL), a novel learning algorithm designed to overcome these challenges. Extensive empirical experiments demonstrate that DLL satisfies all three criteria of biological plausibility while achieving state-of-the-art performance among algorithms that meet these requirements. Furthermore, DLL exhibits strong generalization across a range of architectures, including MLPs, CNNs, and RNNs. These results, benchmarked against existing biologically plausible learning algorithms, offer valuable empirical insights for future research. We hope this study can inspire the development of new biologically plausible algorithms for training multilayer networks and advancing progress in both neuroscience and machine learning. Our code is available at https://github.com/Lvchangze/Dendritic-Localized-Learning.

Poster
Diagonal Symmetrization of Neural Network Solvers for the Many-Electron Schrödinger Equation

Kevin Han Huang, Ni Zhan, Elif Ertekin, Peter Orbanz, Ryan P Adams

展开摘要

Incorporating group symmetries into neural networks has been a cornerstone of success in many AI-for-science applications. Diagonal groups of isometries, which describe the invariance under a simultaneous movement of multiple objects, arise naturally in many-body quantum problems. Despite their importance, diagonal groups have received relatively little attention, as they lack a natural choice of invariant maps except in special cases. We study different ways of incorporating diagonal invariance in neural network ansatze trained via variational Monte Carlo methods, and consider specifically data augmentation, group averaging and canonicalization. We show that, contrary to standard ML setups, in-training symmetrization destabilizes training and can lead to worse performance. Our theoretical and numerical results indicate that this unexpected behavior may arise from a unique computational-statistical tradeoff not found in standard ML analyses of symmetrization. Meanwhile, we demonstrate that post hoc averaging is less sensitive to such tradeoffs and emerges as a simple, flexible and effective method for improving neural network solvers.

Poster
Faster Global Minimum Cut with Predictions

Helia Niaparast, Benjamin Moseley, Karan Singh

展开摘要

Global minimum cut is a fundamental combinatorial optimization problem with wide-ranging applications. Often in practice, these problems are solved repeatedly on families of similar or related instances. However, the de facto algorithmic approach is to solve each instance of the problem from scratch discarding information from prior instances. In this paper, we consider how predictions informed by prior instances can be used to warm-start practical minimum cut algorithms. The paper considers the widely used Karger's algorithm and its counterpart, the Karger-Stein algorithm. Given good predictions, we show these algorithms become near-linear time and have robust performance to erroneous predictions. Both of these algorithms are randomized edge-contraction algorithms. Our natural idea is to probabilistically prioritize the contraction of edges that are unlikely to be in the minimum cut.

Poster
Whitened CLIP as a Likelihood Surrogate of Images and Captions

Roy Betser, Meir Yossef Levi, Guy Gilboa

展开摘要

Likelihood approximations for images are not trivial to compute and can be useful in many applications. We examine the use of Contrastive Language-Image Pre-training (CLIP) to assess the likelihood of images and captions. We introduce Whitened CLIP, a novel transformation of the CLIP latent space via an invertible linear operation. This transformation ensures that each feature in the embedding space has zero mean, unit standard deviation, and no correlation with all other features, resulting in an identity covariance matrix. We show that the whitened embedding statistics can be well approximated by a standard normal distribution, allowing log-likelihood to be estimated using the squared Euclidean norm in the whitened space. The whitening procedure is completely training-free and uses a precomputed whitening matrix, making it extremely fast. We present several preliminary experiments demonstrating the properties and applicability of these likelihood scores to images and captions. Our code is available at github.com/rbetser/W_CLIP/tree/main.

Poster
TAROT: Targeted Data Selection via Optimal Transport

Lan Feng, Fan Nie, Yuejiang Liu, Alexandre Alahi

展开摘要

We propose TAROT, a targeted data selection framework grounded in Optimal Transport theory. Previous targeted data selection methods primarily rely on influence-based greedy heuristics to enhance domain-specific performance. While effective on limited, unimodal data (i.e., data following a single pattern), these methods struggle as target data complexity increases. Specifically, in multimodal distributions, such heuristics fail to account for multiple inherent patterns, leading to suboptimal data selection. This work identifies two primary limitations: (i) the disproportionate impact of dominant feature components in high-dimensional influence estimation, and (ii) the restrictive linear additive assumptions in greedy selection strategies. To address these challenges, TAROT incorporates whitened feature distance to mitigate dominant feature bias, offering a more reliable measure of data influence. Building on this, TAROT leverages whitened feature distance to quantify and minimize the optimal transport distance between selected data and target domains. Notably, this minimization also facilitates the estimation of optimal selection ratios. We evaluate TAROT across multiple tasks, including semantic segmentation, motion prediction, and instruction tuning. Results consistently show that TAROT outperforms state-of-the-art methods, demonstrating its versatility across various deep learning tasks. Code is available at: https://github.com/vita-epfl/TAROT.

Poster
MindLLM: A Subject-Agnostic and Versatile Model for fMRI-to-text Decoding

Weikang Qiu, Zheng Huang, Haoyu Hu, Aosong Feng, Yujun Yan, Rex Ying

展开摘要

Decoding functional magnetic resonance imaging (fMRI) signals into text has been a key challenge in the neuroscience community, with the potential to advance brain-computer interfaces and uncover deeper insights into brain mechanisms. However, existing approaches often struggle with suboptimal predictive performance, limited task variety, and poor generalization across subjects. In response to this, we propose MindLLM, a model designed for subject-agnostic and versatile fMRI-to-text decoding. MindLLM consists of an fMRI encoder and an off-the-shelf LLM. The fMRI encoder employs a neuroscience-informed attention mechanism, which is capable of accommodating subjects with varying input shapes and thus achieves high-performance subject-agnostic decoding. Moreover, we introduce Brain Instruction Tuning (BIT), a novel approach that enhances the model's ability to capture diverse semantic representations from fMRI signals, facilitating more versatile decoding. We evaluate MindLLM on comprehensive fMRI-to-text benchmarks. Results demonstrate that our model outperforms the baselines, improving downstream tasks by $12.0\%$, unseen subject generalization by $24.5\%$, and novel task adaptation by $25.0\%$. Furthermore, the attention patterns in MindLLM provide interpretable insights into its decision-making process.

Poster
Discrete and Continuous Difference of Submodular Minimization

George Orfanides, Tim Hoheisel, Marwa El Halabi

展开摘要

Submodular functions, defined on continuous or discrete domains, arise in numerous applications. We study the minimization of the difference of submodular (DS) functions, over both domains, extending prior work restricted to set functions. We show that all functions on discrete domains and all smooth functions on continuous domains are DS. For discrete domains, we observe that DS minimization is equivalent to minimizing the difference of two convex (DC) functions, as in the set function case. We propose a novel variant of the DC Algorithm (DCA) and apply it to the resulting DC Program, obtaining comparable theoretical guarantees as in the set function case. The algorithm can be applied to continuous domains via discretization. Experiments demonstrate that our method outperforms baselines in integer compressive sensing and integer least squares.

Poster
Core Knowledge Deficits in Multi-Modal Language Models

Yijiang Li, Qingying Gao, Tianwei Zhao, Bingyang Wang, Haoran Sun, Haiyun Lyu, Robert D. Hawkins, Nuno Vasconcelos, Tal Golan, Dezhi Luo, Hokin Deng

展开摘要

While Multi-modal Large Language Models (MLLMs) demonstrate impressive abilities over high-level perception and reasoning, their robustness in the wild remains limited, often falling short on tasks that are intuitive and effortless for humans. We examine the hypothesis that these deficiencies stem from the absence of core knowledge—rudimentary cognitive abilities innate to humans from early childhood. To explore the core knowledge representation in MLLMs, we introduce CoreCognition, a large-scale benchmark encompassing 12 core knowledge concepts grounded in developmental cognitive science. We evaluate 230 models with 11 different prompts, leading to a total of 2,530 data points for analysis. Our experiments uncover four key findings, collectively demonstrating core knowledge deficits in MLLMs: they consistently underperform and show reduced, or even absent, scalability on low-level abilities relative to high-level ones. Finally, we propose Concept Hacking, a novel controlled evaluation method that reveals MLLMs fail to progress toward genuine core knowledge understanding, but instead rely on shortcut learning as they scale.

Poster
Perceptually Constrained Precipitation Nowcasting Model

Wenzhi Feng, Xutao Li, Zhe Wu, Kenghong Lin, Demin Yu, Yunming Ye, Yaowei Wang

展开摘要

Most current precipitation nowcasting methods aim to capture the underlying spatiotemporal dynamics of precipitation systems by minimizing the mean square error (MSE). However, these methods often neglect effective constraints on the data distribution, leading to unsatisfactory prediction accuracy and image quality, especially for long forecast sequences. To address this limitation, we propose a precipitation nowcasting model incorporating perceptual constraints. This model reformulates precipitation nowcasting as a posterior MSE problem under such constraints. Specifically, we first obtain the posteriori mean sequences of precipitation forecasts using a precipitation estimator. Subsequently, we construct the transmission between distributions using rectified flow. To enhance the focus on distant frames, we design a frame sampling strategy that gradually increases the corresponding weights. We theoretically demonstrate the reliability of our solution, and experimental results on two publicly available radar datasets demonstrate that our model is effective and outperforms current state-of-the-art models.

Poster
Auto-reconfiguration for Latency Minimization in CPU-based DNN Serving

Ankit Bhardwaj, Amar Phanishayee, Deepak Narayanan, Ryan Stutsman

展开摘要

In this paper, we investigate how to push the performance limits of serving Deep Neural Network (DNN) models on CPU-based servers. Specifically, we observe that while intra-operator parallelism across multiple threads is an effective way to reduce inference latency, it provides diminishing returns. Our primary insight is that instead of running a single instance of a model with all available threads on a server, running multiple instances each with smaller batch sizes and fewer threads for intra-op parallelism can provide lower inference latency. However, the right configuration is hard to determine manually since it is workload- (DNN model and batch size used by the serving system) and deployment-dependent (number of CPU cores on server). We present Packrat, a new serving system for online inference that given a model and batch size (𝐵) algorithmically picks the optimal number of instances (𝑖), the number of threads each should be allocated (𝑡), and the batch sizes each should operate on (𝑏) that minimizes latency. Packrat is built as an extension to TorchServe and supports online reconfigurations to avoid serving downtime. Averaged across a range of batch sizes, Packrat improves inference latency by 1.43× to 1.83× on a range of commonly used DNNs.

Poster
Comparing Comparisons: Informative and Easy Human Feedback with Distinguishability Queries

Xuening Feng, Zhaohui JIANG, Timo Kaufmann, Eyke Hüllermeier, Paul Weng, Yifei Zhu

展开摘要

Learning human objectives from preference feedback has significantly advanced reinforcement learning (RL) in domains where objectives are hard to formalize. However, traditional methods based on pairwise trajectory comparisons face notable challenges, including the difficulty in comparing trajectories with subtle differences and the limitation of conveying only ordinal information, limiting direct inference of preference strength. In this paper, we introduce a novel *distinguishability query*, enabling humans to express preference strength by comparing two pairs of trajectories. Labelers first indicate which of two pairs is easier to distinguish, then provide preference feedback only on the easier pair. Our proposed query type directly captures preference strength and is expected to reduce the cognitive load on the labeler. We further connect this query to cardinal utility and difference relations and develop an efficient query selection scheme to achieve a better trade-off between query informativeness and easiness. Experimental results demonstrate the potential of our method for faster, data-efficient learning and improved user-friendliness in RLHF benchmarks, particularly in classical control settings where preference strength is critical for expected utility maximization.

Poster
From Black Boxes to Transparent Minds: Evaluating and Enhancing the Theory of Mind in Multimodal Large Language Models

Xinyang Li, Siqi Liu, Bochao Zou, Jiansheng Chen, Huimin Ma

展开摘要

As large language models evolve, there is growing anticipation that they will emulate human-like Theory of Mind (ToM) to assist with routine tasks. However, existing methods for evaluating machine ToM focus primarily on unimodal models and largely treat these models as black boxes, lacking an interpretative exploration of their internal mechanisms. In response, this study adopts an approach based on internal mechanisms to provide an interpretability-driven assessment of ToM in multimodal large language models (MLLMs). Specifically, we first construct a multimodal ToM test dataset, GridToM, which incorporates diverse belief testing tasks and perceptual information from multiple perspectives. Next, our analysis shows that attention heads in multimodal large models can distinguish cognitive information across perspectives, providing evidence of ToM capabilities. Furthermore, we present a lightweight, training-free approach that significantly enhances the model’s exhibited ToM by adjusting in the direction of the attention head.

Poster
Revisiting Noise Resilience Strategies in Gesture Recognition: Short-Term Enhancement in sEMG Analysis

Weiyu Guo, Ziyue Qiao, Ying Sun, Yijie Xu, Hui Xiong

展开摘要

Gesture recognition based on surface electromyography (sEMG) has been gaining importance in many 3D Interactive Scenes. However, sEMG is easily influenced by various forms of noise in real-world environments, leading to challenges in providing long-term stable interactions through sEMG. Existing methods often struggle to enhance model noise resilience through various predefined data augmentation techniques. In this work, we revisit the problem from a short-term enhancement perspective to improve precision and robustness against various common noisy scenarios with learnable denoise using sEMG intrinsic pattern information and sliding-window attention. We propose a Short Term Enhancement Module(STEM), which can be easily integrated with various models. STEM offers several benefits: 1) Noise-resistant, enhanced robustness against noise without manual data augmentation; 2) Adaptability, adaptable to various models; and 3) Inference efficiency, achieving short-term enhancement through minimal weight-sharing in an efficient attention mechanism. In particular, we incorporate STEM into a transformer, creating the Short-Term Enhanced Transformer (STET). Compared with best-competing approaches, the impact of noise on STET is reduced by more than 20\%. We report promising results on classification and regression tasks and demonstrate that STEM generalizes across different gesture recognition tasks. The code is available at https://anonymous.4open.science/r/short_term_semg.

Poster
A Model of Place Field Reorganization During Reward Maximization

M Ganesh Kumar, Blake Bordelon, Jacob A Zavatone-Veth, Cengiz Pehlevan

展开摘要

When rodents learn to navigate in a novel environment, a high density of place fields emerges at reward locations, fields elongate against the trajectory, and individual fields change spatial selectivity while demonstrating stable behavior. Why place fields demonstrate these characteristic phenomena during learning remains elusive. We develop a normative framework using a reward maximization objective, whereby the temporal difference (TD) error drives place field reorganization to improve policy learning. Place fields are modeled using Gaussian radial basis functions to represent states in an environment, and directly synapse to an actor-critic for policy learning. Each field's amplitude, center, and width, as well as downstream weights, are updated online at each time step to maximize rewards. We demonstrate that this framework unifies three disparate phenomena observed in navigation experiments. Furthermore, we show that these place field phenomena improve policy convergence when learning to navigate to a single target and relearning multiple new targets. To conclude, we develop a simple normative model that recapitulates several aspects of hippocampal place field learning dynamics and unifies mechanisms to offer testable predictions for future experiments.

Poster
Closed-form Solutions: A New Perspective on Solving Differential Equations

Shu Wei, Yanjie Li, Lina Yu, Weijun Li, Min Wu, Linjun Sun, Jingyi Liu, Hong Qin, Yusong Deng, Jufeng Han, Yan Pang

展开摘要

The quest for analytical solutions to differential equations has traditionally been constrained by the need for extensive mathematical expertise. Machine learning methods like genetic algorithms have shown promise in this domain, but are hindered by significant computational time and the complexity of their derived solutions. This paper introduces **SSDE** (Symbolic Solver for Differential Equations), a novel reinforcement learning-based approach that derives symbolic closed-form solutions for various differential equations. Evaluations across a diverse set of ordinary and partial differential equations demonstrate that SSDE outperforms existing machine learning methods, delivering superior accuracy and efficiency in obtaining analytical solutions.

Poster
OneForecast: A Universal Framework for Global and Regional Weather Forecasting

Yuan Gao, Hao Wu, Ruiqi Shu, huanshuo dong, Fan Xu, Rui Ray Chen, Yibo Yan, Qingsong Wen, Xuming Hu, Kun Wang, Jiahao Wu, Li Qing, Hui Xiong, Xiaomeng Huang

展开摘要

Accurate weather forecasts are important for disaster prevention, agricultural planning, etc. Traditional numerical weather prediction (NWP) methods offer physically interpretable high-accuracy predictions but are computationally expensive and fail to fully leverage rapidly growing historical data. In recent years, deep learning models have made significant progress in weather forecasting, but challenges remain, such as balancing global and regional high-resolution forecasts, excessive smoothing in extreme event predictions, and insufficient dynamic system modeling. To address these issues, this paper proposes a global-regional nested weather forecasting framework (OneForecast) based on graph neural networks. By combining a dynamic system perspective with multi-grid theory, we construct a multi-scale graph structure and densify the target region to capture local high-frequency features. We introduce an adaptive messaging mechanism, using dynamic gating units to deeply integrate node and edge features for more accurate extreme event forecasting. For high-resolution regional forecasts, we propose a neural nested grid method to mitigate boundary information loss. Experimental results show that OneForecast performs excellently across global to regional scales and short-term to long-term forecasts, especially in extreme event predictions. Codes link: \url{https://github.com/YuanGao-YG/OneForecast}.

Poster