ICML 2025 论文列表

Learning from human feedback plays an important role in aligning generative models, such as large language models (LLM). However, the effectiveness of this approach can be influenced by adversaries, who may intentionally provide misleading preferences to manipulate the output in an undesirable or harmful direction. To tackle this challenge, we study a specific model within this problem domain--contextual dueling bandits with adversarial feedback, where the true preference label can be flipped by an adversary. We propose an algorithm namely robust contextual dueling bandits ($\texttt{RCDB}$), which is based on uncertainty-weighted maximum likelihood estimation. Our algorithm achieves an $\tilde O(d\sqrt{T}/\kappa+dC/\kappa)$ regret bound, where $T$ is the number of rounds, $d$ is the dimension of the context, $\kappa$ is the lower bound of the derivative of the link function, and $ 0 \le C \le T$ is the total number of adversarial feedback. We also prove a lower bound to show that our regret bound is nearly optimal, both in scenarios with and without ($C=0$) adversarial feedback. Our work is the first to achieve nearly minimax optimal regret for dueling bandits in the presence of adversarial preference feedback. Additionally, for the sigmoid link function, we develop a novel algorithm that takes into account the effect of local derivatives into maximum likelihood estimation (MLE) analysis through a refined method for estimating the link function's derivative. This method helps us to eliminate the $\kappa$ dependence in the leading term with respect to $T$, which reduces the exponential dependence on the parameter radius $B$ to a polynomial dependence. We conduct experiments to evaluate our proposed algorithm $\texttt{RCDB}$ against various types of adversarial feedback. Experimental results demonstrate its superiority over the state-of-the-art dueling bandit algorithms in the presence of adversarial feedback.

Circuit discovery has recently attracted attention as a potential research direction to explain the non-trivial behaviors of language models. It aims to find the computational subgraphs, also known as circuits, within the model that are responsible for solving specific tasks. However, most existing studies overlook the holistic nature of these circuits and require designing specific corrupted activations for different tasks, which is inaccurate and inefficient. In this work, we propose an end-to-end approach based on the principle of Information Bottleneck, called IBCircuit, to holistically identify informative circuits. In contrast to traditional causal interventions, IBCircuit is an optimization framework for holistic circuit discovery and can be applied to any given task without tediously corrupted activation design. In both the Indirect Object Identification (IOI) and Greater-Than tasks, IBCircuit identifies more faithful and minimal circuits in terms of critical node components and edge components compared to recent related work.

Many systems contain latent variables that make their dynamics partially unidentifiable or cause distribution shifts in the observed statistics between offline and online data. However, existing control techniques often assume access to complete dynamics or perfect simulators with fully observable states, which are necessary to verify whether the system remains within a safe set (forward invariance) or safe actions are consistently feasible at all times. To address this limitation, we propose a technique for designing probabilistic safety certificates for systems with latent variables. A key technical enabler is the formulation of invariance conditions in probability space, which can be constructed using observed statistics in the presence of distribution shifts due to latent variables. We use this invariance condition to construct a safety certificate that can be implemented efficiently in real-time control. The proposed safety certificate can continuously find feasible actions that control long-term risk to stay within tolerance. Stochastic safe control and (causal) reinforcement learning have been studied in isolation until now. To the best of our knowledge, the proposed work is the first to use causal reinforcement learning to quantify long-term risk for the design of safety certificates. This integration enables safety certificates to efficiently ensure long-term safety in the presence of latent variables. The effectiveness of the proposed safety certificate is demonstrated in numerical simulations.

Although deep models have been widely explored in solving partial differential equations (PDEs), previous works are primarily limited to data only with up to tens of thousands of mesh points, far from the million-point scale required by industrial simulations that involve complex geometries. In the spirit of advancing neural PDE solvers to real industrial applications, we present Transolver++, a highly parallel and efficient neural solver that can accurately solve PDEs on million-scale geometries. Building upon previous advancements in solving PDEs by learning physical states via Transolver, Transolver++ is further equipped with an extremely optimized parallelism framework and a local adaptive mechanism to efficiently capture eidetic physical states from massive mesh points, successfully tackling the thorny challenges in computation and physics learning when scaling up input mesh size. Transolver++ increases the single-GPU input capacity to million-scale points for the first time and is capable of continuously scaling input size in linear complexity by increasing GPUs. Experimentally, Transolver++ yields 13\% relative promotion across six standard PDE benchmarks and achieves over 20\% performance gain in million-scale high-fidelity industrial simulations, whose sizes are 100$\times$ larger than previous benchmarks, covering car and 3D aircraft designs.

As scaling large language models faces prohibitive costs, multi-agent systems emerge as a promising alternative, though challenged by static knowledge assumptions and coordination inefficiencies. We introduce Knowledge-Aware Bayesian Bandits (KABB), a novel framework that enhances multi-agent system coordination through semantic understanding and dynamic adaptation. The framework features three key innovations: a customized knowledge distance model for deep semantic understanding, a dual-adaptation mechanism for continuous expert optimization, and a knowledge-aware Thompson Sampling strategy for efficient expert selection. Extensive evaluation demonstrates KABB achieves an optimal cost-performance balance, maintaining high performance while keeping computational demands relatively low in multi-agent coordination.

Data-driven Riemannian geometry has emerged as a powerful tool for interpretable representation learning, offering improved efficiency in downstream tasks. Moving forward, it is crucial to balance cheap manifold mappings with efficient training algorithms. In this work, we integrate concepts from pullback Riemannian geometry and generative models to propose a framework for data-driven Riemannian geometry that is scalable in both geometry and learning: score-based pullback Riemannian geometry. Focusing on unimodal distributions as a first step, we propose a score-based Riemannian structure with closed-form geodesics that pass through the data probability density. With this structure, we construct a Riemannian autoencoder (RAE) with error bounds for discovering the correct data manifold dimension. This framework can naturally be used with anisotropic normalizing flows by adopting isometry regularization during training. Through numerical experiments on diverse datasets, including image data, we demonstrate that the proposed framework produces high-quality geodesics passing through the data support, reliably estimates the intrinsic dimension of the data manifold, and provides a global chart of the manifold. To the best of our knowledge, this is the first scalable framework for extracting the complete geometry of the data manifold.

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.

Graph neural networks (GNNs) are the dominant approach to solving machine learning problems defined over graphs. Despite much theoretical and empirical work in recent years, our understanding of finer-grained aspects of architectural design for GNNs remains impoverished. In this paper, we consider the benefits of architectures that maintain and update edge embeddings. On the theoretical front, under a suitable computational abstraction for a layer in the model, as well as memory constraints on the embeddings, we show that there are natural tasks on graphical models for which architectures leveraging edge embeddings can be much shallower. Our techniques are inspired by results on time-space tradeoffs in theoretical computer science. Empirically, we show architectures that maintain edge embeddings almost always improve on their node-based counterparts---frequently significantly so in topologies that have "hub" nodes.

The availability of a wide range of large language models (LLMs) embedded in various agentic systems has significantly increased the potential of model selection strategies to improve the cost-performance tradeoff. Existing strategies involve either routing, where a single model is chosen per query, or cascading, which sequentially runs increasingly larger models until a satisfactory answer is found. However, current approaches face three key limitations: they (1) lack formal proofs of optimality, (2) fail to identify the conditions under which these strategies are most effective to improve the cost-performance tradeoff, and (3) are unable to combine both paradigms for further improvements. To address these issues, we first derive a novel optimal strategy for cascading and prove the optimality of an existing routing strategy. Further, we propose *cascade routing*, a unified framework that integrates routing and cascading into a theoretically optimal strategy. Through our analysis, we identify good quality estimators as the critical factor for the success of model selection paradigms. Finally, in our experiments, we show that cascade routing consistently outperforms the individual approaches by a large margin and we analyze quality estimators to determine when routing and/or cascading are useful paradigms for model selection.

The diffusion models are widely used for image and video generation, but their iterative generation process is slow and expansive. While existing distillation approaches have demonstrated the potential for one-step generation in the image domain, they still suffer from significant quality degradation. In this work, we propose Adversarial Post-Training (APT) against real data following diffusion pre-training for one-step video generation. To improve the training stability and quality, we introduce several improvements to the model architecture and training procedures, along with an approximated R1 regularization objective. Empirically, our experiments show that our adversarial post-trained model can generate two-second, 1280x720, 24fps videos in real-time using a single forward evaluation step. Additionally, our model is capable of generating 1024px images in a single step, achieving quality comparable to state-of-the-art methods.

Evaluating large vision-language models (LVLMs) is very expensive, due to high computational cost and the wide variety of tasks. The good news is that if we already have some observed performance scores, we may be able to infer unknown ones. In this study, we propose a new framework for predicting unknown performance scores based on observed ones from other LVLMs or tasks. We first formulate the performance prediction as a matrix completion task. Specifically, we construct a sparse performance matrix $\boldsymbol{R}$, where each entry $R_{mn}$ represents the performance score of the $m$-th model on the $n$-th dataset. By applying probabilistic matrix factorization (PMF) with Markov chain Monte Carlo (MCMC), we can complete the performance matrix, i.e., predict unknown scores. Additionally, we estimate the uncertainty of performance prediction based on MCMC. Practitioners can evaluate their models on untested tasks with higher uncertainty first, which quickly reduces the prediction errors. We further introduce several improvements to enhance PMF for scenarios with sparse observed performance scores. Our experiments demonstrate the accuracy of PMF in predicting unknown scores, the reliability of uncertainty estimates in ordering evaluations, and the effectiveness of our enhancements for handling sparse data. Our code is available at https://github.com/Qinyu-Allen-Zhao/CrossPred-LVLM.

Do contemporary diffusion models preserve the class geometry of hyperspherical data? Standard diffusion models rely on isotropic Gaussian noise in the forward process, inherently favoring Euclidean spaces. However, many real-world problems involve non-Euclidean distributions, such as hyperspherical manifolds, where class-specific patterns are governed by angular geometry within hypercones. When modeled in Euclidean space, these angular subtleties are lost, leading to suboptimal generative performance. To address this limitation, we introduce \textbf{HyperSphereDiff} to align hyperspherical structures with directional noise, preserving class geometry and effectively capturing angular uncertainty. We demonstrate both theoretically and empirically that this approach aligns the generative process with the intrinsic geometry of hyperspherical data, resulting in more accurate and geometry-aware generative models. We evaluate our framework on four object datasets and two face datasets, showing that incorporating angular uncertainty better preserves the underlying hyperspherical manifold.

Continual Test-Time Adaptation (CTTA) seeks to adapt source pre-trained models to continually changing, unseen target domains. While existing CTTA methods assume structured domain changes with uniform durations, real-world environments often exhibit dynamic patterns where domains recur with varying frequencies and durations. Current approaches, which adapt the same parameters across different domains, struggle in such dynamic conditions—they face convergence issues with brief domain exposures, risk forgetting previously learned knowledge, or misapplying it to irrelevant domains. To remedy this, we propose **DPCore**, a method designed for robust performance across diverse domain change patterns while ensuring computational efficiency. DPCore integrates three key components: Visual Prompt Adaptation for efficient domain alignment, a Prompt Coreset for knowledge preservation, and a Dynamic Update mechanism that intelligently adjusts existing prompts for similar domains while creating new ones for substantially different domains. Extensive experiments on four benchmarks demonstrate that DPCore consistently outperforms various CTTA methods, achieving state-of-the-art performance in both structured and dynamic settings while reducing trainable parameters by 99% and computation time by 64% compared to previous approaches.

Dynamic graphs evolve continuously, presenting challenges for traditional graph learning due to their changing structures and temporal dependencies. Recent advancements have shown potential in addressing these challenges by developing suitable meta-learning-based dynamic graph neural network models. However, most meta-learning approaches for dynamic graphs rely on fixed weight update parameters, neglecting the essential intrinsic complex high-order topological information of dynamically evolving graphs. We have designed Dowker Zigzag Persistence (DZP), an efficient and stable dynamic graph persistent homology representation method based on Dowker complex and zigzag persistence, to capture the high-order features of dynamic graphs. Armed with the DZP ideas, we propose TMetaNet, a new meta-learning parameter update model based on dynamic topological features. By utilizing the distances between high-order topological features, TMetaNet enables more effective adaptation across snapshots. Experiments on real-world datasets demonstrate TMetaNet's state-of-the-art performance and resilience to graph noise, illustrating its high potential for meta-learning and dynamic graph analysis. Our code is available at https://github.com/Lihaogx/TMetaNet.

Text-to-audio generation synthesizes realistic sounds or music given a natural language prompt. Diffusion-based frameworks, including the Tango and the AudioLDM series, represent the state-of-the-art in text-to-audio generation. Despite achieving high audio fidelity, they incur significant inference latency due to the slow diffusion sampling process. MAGNET, a mask-based model operating on discrete tokens, addresses slow inference through iterative mask-based parallel decoding. However, its audio quality still lags behind that of diffusion-based models. In this work, we introduce IMPACT, a text-to-audio generation framework that achieves high performance in audio quality and fidelity while ensuring fast inference. IMPACT utilizes iterative mask-based parallel decoding in a continuous latent space powered by diffusion modeling. This approach eliminates the fidelity constraints of discrete tokens while maintaining competitive inference speed. Results on AudioCaps demonstrate that IMPACT achieves state-of-the-art performance on key metrics including Fréchet Distance (FD) and Fréchet Audio Distance (FAD) while significantly reducing latency compared to prior models. The project website is available at https://audio-impact.github.io/.

Deep learning models perform poorly when domain shifts exist between training and test data. Test-time adaptation (TTA) is a paradigm to mitigate this issue by adapting pre-trained models using only unlabeled test samples. However, existing TTA methods can fail under severe domain shifts, while recent active TTA approaches requiring full-class labels are impractical due to high labeling costs. To address this issue, we introduce a new setting of TTA with binary feedback, which uses a few binary feedbacks from annotators to indicate whether model predictions are correct, thereby significantly reducing the labeling burden of annotators. Under the setting, we propose BiTTA, a novel dual-path optimization framework that leverages reinforcement learning to balance binary feedback-guided adaptation on uncertain samples with agreement-based self-adaptation on confident predictions. Experiments show BiTTA achieves substantial accuracy improvements over state-of-the-art baselines, demonstrating its effectiveness in handling severe distribution shifts with minimal labeling effort.

Leveraging mathematical Large Language Models (LLMs) for proof generation is a fundamental topic in LLMs research. We argue that the ability of current LLMs to prove statements largely depends on whether they have encountered the relevant proof process during training. This reliance limits their deeper understanding of mathematical theorems and related concepts. Inspired by the pedagogical method of "proof by counterexamples" commonly used in human mathematics education, our work aims to enhance LLMs’ ability to conduct mathematical reasoning and proof through counterexamples. Specifically, we manually create a high-quality, university-level mathematical benchmark, COUNTERMATH, which requires LLMs to prove mathematical statements by providing counterexamples, thereby assessing their grasp of mathematical concepts. Additionally, we develop a data engineering framework to automatically obtain training data for further model improvement. Extensive experiments and detailed analyses demonstrate that COUNTERMATH is challenging, indicating that LLMs, such as OpenAI o1, have insufficient counterexample-driven proof capabilities. Moreover, our exploration into model training reveals that strengthening LLMs' counterexample-driven conceptual reasoning abilities is crucial for improving their overall mathematical capabilities. We believe that our work offers new perspectives on the community of mathematical LLMs.

Overparametrized Deep Neural Networks (DNNs) have demonstrated remarkable success in a wide variety of domains too high-dimensional for classical shallow networks subject to the curse of dimensionality. However, open questions about fundamental principles, that govern the learning dynamics of DNNs, remain. In this position paper we argue that it is the ability of DNNs to exploit the compositionally sparse structure of the target function driving their success. As such, DNNs can leverage the property that most practically relevant functions can be composed from a small set of constituent functions, each of which relies only on a low-dimensional subset of all inputs. We show that this property is shared by all efficiently Turing-computable functions and is therefore highly likely present in all current learning problems. While some promising theoretical insights on questions concerned with approximation and generalization exist in the setting of compositionally sparse functions, several important questions on the learnability and optimization of DNNs remain. Completing the picture of the role of compositional sparsity in deep learning is essential to a comprehensive theory of artificial—and even general—intelligence.

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}.