ICML 2025 论文列表

We introduce $\textbf{STRING}$: Separable Translationally Invariant Position Encodings. STRING extends Rotary Position Encodings, a recently proposed and widely used algorithm in large language models, via a unifying theoretical framework. Importantly, STRING still provides $\textbf{exact}$ translation invariance, including token coordinates of arbitrary dimensionality, whilst maintaining a low computational footprint. These properties are especially important in robotics, where efficient 3D token representation is key. We integrate STRING into Vision Transformers with RGB(-D) inputs (color plus optional depth), showing substantial gains, e.g. in open-vocabulary object detection and for robotics controllers. We complement our experiments with a rigorous mathematical analysis, proving the universality of our methods. Videos of STRING-based robotics controllers can be found here: https://sites.google.com/view/string-robotics.

In this paper, we theoretically investigate the effects of noisy labels in offline alignment, with a focus on the interplay between privacy and robustness against adversarial corruption. Specifically, under linear modeling assumptions, we present a unified analysis covering both reinforcement learning from human feedback (RLHF) and direct preference optimization (DPO) under different privacy-corruption scenarios, such as Local differential privacy-then-Corruption (LTC), where human preference labels are privatized before being corrupted by an adversary, and Corruption-then-Local differential privacy (CTL), where labels are corrupted before privacy protection. Our analysis leverages a reduction framework that reduces the offline alignment problem under linear modeling assumptions to parameter estimation in logistic regression. This framework allows us to establish an interesting separation result between LTC and CTL, demonstrating that LTC presents a greater challenge than CTL in offline alignment, even under linear models. As important by-products, our findings also advance the state-of-the-art theoretical results in offline alignment under privacy-only or corruption-only scenarios.

When trained on large-scale object classification datasets, certain artificial neural network models begin to approximate core object recognition behaviors and neural response patterns in the primate brain. While recent machine learning advances suggest that scaling compute, model size, and dataset size improves task performance, the impact of scaling on brain alignment remains unclear. In this study, we explore scaling laws for modeling the primate visual ventral stream by systematically evaluating over 600 models trained under controlled conditions on benchmarks spanning V1, V2, V4, IT and behavior. We find that while behavioral alignment continues to scale with larger models, neural alignment saturates. This observation remains true across model architectures and training datasets, even though models with stronger inductive biases and datasets with higher-quality images are more compute-efficient. Increased scaling is especially beneficial for higher-level visual areas, where small models trained on few samples exhibit only poor alignment. Our results suggest that while scaling current architectures and datasets might suffice for alignment with human core object recognition behavior, it will not yield improved models of the brain's visual ventral stream, highlighting the need for novel strategies in building brain models.

We present **HealthGPT**, a powerful Medical Large Vision-Language Model (Med-LVLM) that integrates medical visual comprehension and generation capabilities within a unified autoregressive paradigm. Our bootstrapping philosophy is to progressively adapt heterogeneous comprehension and generation knowledge to pre-trained Large Language Models (LLMs). This is achieved through a novel heterogeneous low-rank adaptation **(H-LoRA)** technique, which is complemented by a tailored hierarchical visual perception **(HVP)** approach and a three-stage learning strategy **(TLS)**. To effectively learn the HealthGPT, we devise a comprehensive medical domain-specific comprehension and generation dataset called **VL-Health**. Experimental results demonstrate exceptional performance and scalability of HealthGPT in medical visual unified tasks. Our project can be accessed at https://github.com/DCDmllm/HealthGPT.

Vision-Language Models (VLMs) such as CLIP excel at zero-shot classification due to large-scale pre-training but are vulnerable to adversarial examples. Adversarial fine-tuning robustifies zero-shot models by aligning prediction scores of individual adversaries with their clean counterparts, which typically overlooks intermediate adversarial samples along the adversarial trajectory crossing the decision boundary. Such intermediate adversaries and their vicinity produce informative representations capturing the decision boundary in detail. They can be improved by sampling adversarial candidates from simplices formed by joining two consecutive vertices on the adversarial trajectory and their clean counterpart. However, sampling simplices for adversaries is very costly. To train robust VLM, we overcome these limitations by Taylor expansion and formulating an upper-bound of alignment loss that depends on the Jacobian/Hessian obtained at clean samples. As regions between clean and intermediate adversarial samples capture a larger decision landscape, we robustify VLM by plausible adversaries from simplices by our closed-form formulation equivalent to infinite uniform sampling of the simplex. We obtain state-of-the-art robustness across 15 datasets and diverse vision-language tasks.

This paper presents a novel approach to hyperspectral image (HSI) reconstruction from RGB images, addressing fundamental limitations in existing learning-based methods from a physical perspective. We discuss and aim to address the ``colorimetric dilemma": failure to consistently reproduce ground-truth RGB from predicted HSI, thereby compromising physical integrity and reliability in practical applications. To tackle this issue, we propose PhySpec, a physically consistent framework for robust HSI reconstruction. Our approach fundamentally exploits the intrinsic physical relationship between HSIs and corresponding RGBs by employing orthogonal subspace decomposition, which enables explicit estimation of camera spectral sensitivity (CSS). This ensures that our reconstructed spectra align with well-established physical principles, enhancing their reliability and fidelity. Moreover, to efficiently use internal information from test samples, we propose a self-supervised meta-auxiliary learning (MAXL) strategy that rapidly adapts the trained parameters to unseen samples using only a few gradient descent steps at test time, while simultaneously constraining the generated HSIs to accurately recover ground-truth RGB values. Thus, MAXL reinforces the physical integrity of the reconstruction process. Extensive qualitative and quantitative evaluations validate the efficacy of our proposed framework, showing superior performance compared to SOTA methods.

Stability is a central property in learning and statistics promising the output of an algorithm $\mathcal{A}$ does not change substantially when applied to similar datasets $S$ and $S'$. It is an elementary fact that any sufficiently stable algorithm (e.g.\ one returning the same result with high probability, satisfying privacy guarantees, etc.) must be randomized. This raises a natural question: can we quantify \textit{how much} randomness is needed for algorithmic stability? We study the randomness complexity of two influential notions of stability in learning: \textit{replicability} (which promises $\mathcal{A}$ usually outputs the same result when run over samples from the same distribution), and \textit{differential privacy} (which promises the output distribution of $\mathcal{A}$ remains similar under neighboring datasets). In particular, building on the ideas of (Dixon, Pavan, Vander Woude, and Vinodchandran ICML 2024) and (Cannone, Su, and Vadhan ITCS 2024), we prove a "weak-to-strong" boosting theorem for stability in these settings: the randomness complexity of a task $\mathcal{M}$ is tightly controlled by the best replication probability of any \textit{deterministic} algorithm solving $\mathcal{M}$, a parameter known as $\mathcal{M}$'s "global stability" (Chase, Moran, Yehudayoff FOCS 2023). Finally, we use this connection to characterize the randomness complexity of PAC Learning: a class has bounded randomness complexity iff it has finite Littlestone dimension, and moreover scales at worst logarithmically in the excess error of the learner. As a corollary, we resolve a question of (Chase, Chornomaz, Moran, and Yehudayoff STOC 2024) about the error-dependent list-replicability of agnostic learning.

The Segment Anything Model (SAM), a vision foundation model, exhibits impressive zero-shot capabilities in general tasks but struggles in specialized domains. Parameter-efficient fine-tuning (PEFT) is a promising approach to unleash the potential of SAM in novel scenarios. However, existing PEFT methods for SAM neglect the domain-invariant relations encoded in the pre-trained model. To bridge this gap, we propose InfoSAM, an information-theoretic approach that enhances SAM fine-tuning by distilling and preserving its pre-trained segmentation knowledge. Specifically, we formulate the knowledge transfer process as two novel mutual information-based objectives: (i) to compress the domain-invariant relation extracted from pre-trained SAM, excluding pseudo-invariant information as possible, and (ii) to maximize mutual information between the relational knowledge learned by the teacher (pre-trained SAM) and the student (fine-tuned model). The proposed InfoSAM establishes a robust distillation framework for PEFT of SAM. Extensive experiments across diverse benchmarks validate InfoSAM's effectiveness in improving SAM family's performance on real-world tasks, demonstrating its adaptability and superiority in handling specialized scenarios. The code and models are available at https://muyaoyuan.github.io/InfoSAM_Page.

While score-based generative models are the model of choice across diverse domains, there are limited tools available for controlling inference-time behavior in a principled manner, e.g. for composing multiple pretrained models. Existing classifier-free guidance methods use a simple heuristic to mix conditional and unconditional scores to approximately sample from conditional distributions. However, such methods do not approximate the intermediate distributions, necessitating additional `corrector' steps. In this work, we provide an efficient and principled method for sampling from a sequence of annealed, geometric-averaged, or product distributions derived from pretrained score-based models. We derive a weighted simulation scheme which we call Feynman-Kac Correctors (FKCs) based on the celebrated Feynman-Kac formula by carefully accounting for terms in the appropriate partial differential equations (PDEs). To simulate these PDEs, we propose Sequential Monte Carlo (SMC) resampling algorithms that leverage inference-time scaling to improve sampling quality. We empirically demonstrate the utility of our methods by proposing amortized sampling via inference-time temperature annealing, improving multi-objective molecule generation using pretrained models, and improving classifier-free guidance for text-to-image generation.

We aim to develop a fundamental understanding of modality collapse, a recently observed empirical phenomenon wherein models trained for multimodal fusion tend to rely only on a subset of the modalities, ignoring the rest. We show that modality collapse happens when noisy features from one modality are entangled, via a shared set of neurons in the fusion head, with predictive features from another, effectively masking out positive contributions from the predictive features of the former modality and leading to its collapse. We further prove that cross-modal knowledge distillation implicitly disentangles such representations by freeing up rank bottlenecks in the student encoder, denoising the fusion-head outputs without negatively impacting the predictive features from either modality. Based on the above findings, we propose an algorithm that prevents modality collapse through explicit basis reallocation, with applications in dealing with missing modalities. Extensive experiments on multiple multimodal benchmarks validate our theoretical claims. Project page: https://abhrac.github.io/mmcollapse/.

Large Language Models (LLMs) are expected to be predictable and trustworthy to support reliable decision-making systems. Yet current LLMs often show inconsistencies in their judgments. In this work, we examine \textit{logical preference consistency} as a foundational requirement for building more dependable LLM systems, ensuring stable and coherent decision-making while minimizing erratic or contradictory outputs. To quantify the logical preference consistency, we propose a universal evaluation framework based on three fundamental properties: *transitivity*, *commutativity* and *negation invariance*. Through extensive experimentation across diverse LLMs, we demonstrate that these properties serve as strong indicators of judgment robustness. Furthermore, we introduce a data refinement and augmentation technique, REPAIR, that enhances logical consistency while maintaining alignment with human preferences. Finally, we show that improving consistency leads to better performance in LLM-driven logic-based algorithms, reinforcing stability and coherence in decision-making systems.

A fundamental question in data-driven decision making is how to quantify the uncertainty of predictions to inform risk-sensitive downstream actions, as often required in domains such as medicine. We develop a decision-theoretic foundation linking prediction sets to risk-averse decision-making, addressing three questions: (1) What is the correct notion of uncertainty quantification for risk-averse decision makers? We prove that prediction sets are optimal for decision makers who wish to optimize their value at risk. (2) What is the optimal policy that a risk averse decision maker should use to map prediction sets to actions? We show that a simple max-min decision policy is optimal for risk-averse decision makers. Finally, (3) How can we derive prediction sets that are optimal for such decision makers? We provide an exact characterization in the population regime and a distribution free finite-sample construction. These insights leads to *Risk-Averse Calibration (RAC)*, a principled algorithm that is both *practical*—exploiting black-box predictions to enhance downstream utility—and *safe*—adhering to user-defined risk thresholds. We experimentally demonstrate RAC's advantages in medical diagnosis and recommendation systems, showing that it substantially improves the trade-off between safety and utility, delivering higher utility than existing methods while avoiding critical errors.

A key challenge in decentralized optimization is determining the optimal convergence rate and designing algorithms to achieve it. While this problem has been extensively addressed for doubly-stochastic and column-stochastic mixing matrices, the row-stochastic scenario remains unexplored. This paper bridges this gap by introducing effective metrics to capture the influence of row-stochastic mixing matrices and establishing the first convergence lower bound for decentralized learning over row-stochastic networks. However, existing algorithms fail to attain this lower bound due to two key issues: deviation in the descent direction caused by the adapted gradient tracking (GT) and instability introduced by the Pull-Diag protocol. To address descent deviation, we propose a novel analysis framework demonstrating that Pull-Diag-GT achieves linear speedup—the first such result for row-stochastic decentralized optimization. Moreover, by incorporating a multi-step gossip (MG) protocol, we resolve the instability issue and attain the lower bound, achieving near-optimal complexity for decentralized optimization over row-stochastic networks.

Graph State Space Models (SSMs) have recently been introduced to enhance Graph Neural Networks (GNNs) in modeling long-range interactions. Despite their success, existing methods either compromise on permutation equivariance or limit their focus to pairwise interactions rather than sequences. Building on the connection between Autoregressive Moving Average (ARMA) and SSM, in this paper, we introduce GRAMA, a Graph Adaptive method based on a learnable ARMA framework that addresses these limitations. By transforming from static to sequential graph data, GRAMA leverages the strengths of the ARMA framework, while preserving permutation equivariance. Moreover, GRAMA incorporates a selective attention mechanism for dynamic learning of ARMA coefficients, enabling efficient and flexible long-range information propagation. We also establish theoretical connections between GRAMA and Selective SSMs, providing insights into its ability to capture long-range dependencies. Experiments on 26 synthetic and real-world datasets demonstrate that GRAMA consistently outperforms backbone models and performs competitively with state-of-the-art methods.

Multi-view classification (MVC) based on the Dempster-Shafer theory has gained significant recognition for its reliability in safety-critical applications. However, existing methods predominantly focus on providing confidence levels for decision outcomes without explaining the reasoning behind these decisions. Moreover, the reliance on first-order statistical magnitudes of belief masses often inadequately capture the intrinsic uncertainty within the evidence. To address these limitations, we propose a novel framework termed Trusted Multi-view Classification Constrained with Expert Knowledge (TMCEK). TMCEK integrates expert knowledge to enhance feature-level interpretability and introduces a distribution-aware subjective opinion mechanism to derive more reliable and realistic confidence estimates. The theoretical superiority of the proposed uncertainty measure over conventional approaches is rigorously established. Extensive experiments conducted on three multi-view datasets for sleep stage classification demonstrate that TMCEK achieves state-of-the-art performance while offering interpretability at both the feature and decision levels. These results position TMCEK as a robust and interpretable solution for MVC in safety-critical domains. The code is available at https://github.com/jie019/TMCEK_ICML2025.

Bayesian optimisation in the latent space of a VAE is a powerful framework for optimisation tasks over complex structured domains, such as the space of valid molecules. However, existing approaches tightly couple the surrogate and generative models, which can lead to suboptimal performance when the latent space is not tailored to specific tasks, which in turn has led to the proposal of increasingly sophisticated algorithms. In this work, we explore a new direction, instead proposing a decoupled approach that trains a generative model and a GP surrogate separately, then combines them via a simple yet principled Bayesian update rule. This separation allows each component to focus on its strengths— structure generation from the VAE and predictive modelling by the GP. We show that our decoupled approach improves our ability to identify high-potential candidates in molecular optimisation problems under constrained evaluation budgets.

We present `GL-LowPopArt`, a novel Catoni-style estimator for generalized low-rank trace regression. Building on `LowPopArt` (Jang et al., 2024), it employs a two-stage approach: nuclear norm regularization followed by matrix Catoni estimation. We establish state-of-the-art estimation error bounds, surpassing existing guarantees (Fan et al., 2019; Kang et al., 2022), and reveal a novel experimental design objective, $\mathrm{GL}(\pi)$. The key technical challenge is controlling bias from the nonlinear inverse link function, which we address by our two-stage approach. We prove a *local* minimax lower bound, showing that our `GL-LowPopArt` enjoys instance-wise optimality up to the condition number of the ground-truth Hessian. Applications include generalized linear matrix completion, where `GL-LowPopArt` achieves a state-of-the-art Frobenius error guarantee, and **bilinear dueling bandits**, a novel setting inspired by general preference learning (Zhang et al., 2024). Our analysis of a `GL-LowPopArt`-based explore-then-commit algorithm reveals a new, potentially interesting problem-dependent quantity, along with improved Borda regret bound than vectorization (Wu et al., 2024).

A recent work by [Larsen, SODA 2023] introduced a faster combinatorial alternative to Bansal's SDP algorithm for finding a coloring $x \in \\{-1, 1\\}^n$ that approximately minimizes the discrepancy $\mathrm{disc}(A, x) := \\| A x \\|_{\infty}$ of a real-valued $m \times n$ matrix $A$. Larsen's algorithm runs in $\widetilde{O}(mn^2)$ time compared to Bansal's $\widetilde{O}(mn^{4.5})$-time algorithm, with a slightly weaker logarithmic approximation ratio in terms of the hereditary discrepancy of $A$ [Bansal, FOCS 2010]. We present a combinatorial $\widetilde{O}(\mathrm{nnz}(A) + n^3)$-time algorithm with the same approximation guarantee as Larsen's, optimal for tall matrices where $m = \mathrm{poly}(n)$. Using a more intricate analysis and fast matrix multiplication, we further achieve a runtime of $\widetilde{O}(\mathrm{nnz}(A) + n^{2.53})$, breaking the cubic barrier for square matrices and surpassing the limitations of linear-programming approaches [Eldan and Singh, RS\&A 2018]. Our algorithm relies on two key ideas: (i) a new sketching technique for finding a projection matrix with a short $\ell_2$-basis using implicit leverage-score sampling, and (ii) a data structure for efficiently implementing the iterative Edge-Walk partial-coloring algorithm [Lovett and Meka, SICOMP 2015], and using an alternative analysis to enable ``lazy'' batch updates with low-rank corrections. Our results nearly close the computational gap between real-valued and binary matrices, for which input-sparsity time coloring was recently obtained by [Jain, Sah and Sawhney, SODA 2023].

Offline multi-agent reinforcement learning (MARL) struggles to estimate out-of-distribution states and actions due to the absence of real-time environmental feedback. While diffusion models show promise in addressing these challenges, their application primarily focuses on independently diffusing the historical trajectories of individual agents, neglecting crucial multi-agent coordination dynamics and reducing policy robustness in dynamic environments. In this paper, we propose MCGD, a novel Multi-agent Coordination framework based on Graph Diffusion models to improve the effectiveness and robustness of collaborative policies. Specifically, we begin by constructing a sparse coordination graph that includes continuous node attributes and discrete edge attributes to effectively identify the underlying dynamics of multi-agent interactions. Next, we derive transition probabilities between edge categories and present adaptive categorical diffusion to capture the structure diversity of multi-agent coordination. Leveraging this coordination structure, we define neighbor-dependent forward noise and develop anisotropic diffusion to enhance the action diversity of each agent. Extensive experiments across various multi-agent environments demonstrate that MCGD significantly outperforms existing state-of-the-art baselines in coordination performance and policy robustness in dynamic environments.