ICML 2025 论文列表

In decision-making problems, the outcome of an intervention often depends on the causal relationships between system components and is highly costly to evaluate. In such settings, causal Bayesian optimization (CBO) exploits the causal relationships between the system variables and sequentially performs interventions to approach the optimum with minimal data. Extending CBO to the multi-outcome setting, we propose *multi-objective Causal Bayesian optimization* (MO-CBO), a paradigm for identifying Pareto-optimal interventions within a known multi-target causal graph. Our methodology first reduces the search space by discarding sub-optimal interventions based on the structure of the given causal graph. We further show that any MO-CBO problem can be decomposed into several traditional multi-objective optimization tasks. Our proposed MO-CBO algorithm is designed to identify Pareto-optimal interventions by iteratively exploring these underlying tasks, guided by relative hypervolume improvement. Experiments on synthetic and real-world causal graphs demonstrate the superiority of our approach over non-causal multi-objective Bayesian optimization in settings where causal information is available.

Feedback from peer review is essential to improve the quality of scientific articles. However, at present, many manuscripts do not receive sufficient external feedback for refinement before or during submission. Therefore, a system capable of providing detailed and professional feedback is crucial for enhancing research efficiency. In this paper, we have compiled the largest dataset of paper reviews to date by collecting historical open-access papers and their corresponding review comments and standardizing them using LLM. We then developed a multi-agent system that mimics real human review processes, based on LLMs. This system, named Agent Reviewers, includes the innovative introduction of multimodal reviewers to provide feedback on the visual elements of papers. Additionally, a shared memory pool that stores historical papers' metadata is preserved, which supplies reviewer agents with background knowledge from different fields. Our system is evaluated using ICLR 2024 papers and achieves superior performance compared to existing AI-based review systems. Comprehensive ablation studies further demonstrate the effectiveness of each module and agent in this system.

In long-term time series forecasting, different variables often influence the target variable over distinct time intervals, a challenge known as the multi-delay issue. Traditional models typically process all variables or time points uniformly, which limits their ability to capture complex variable relationships and obtain non-trivial time representations. To address this issue, we propose TimePro, an innovative Mamba-based model that constructs variate- and time-aware hyper-states. Unlike conventional approaches that merely transfer plain states across variable or time dimensions, TimePro preserves the fine-grained temporal features of each variate token and adaptively selects the focused time points to tune the plain state. The reconstructed hyper-state can perceive both variable relationships and salient temporal information, which helps the model make accurate forecasting. In experiments, TimePro performs competitively on eight real-world long-term forecasting benchmarks with satisfactory linear complexity. Code is available at https://github.com/xwmaxwma/TimePro.

Conformal prediction is a flexible framework for calibrating machine learning predictions, providing distribution-free statistical guarantees. In outlier detection, this calibration relies on a reference set of labeled inlier data to control the type-I error rate. However, obtaining a perfectly labeled inlier reference set is often unrealistic, and a more practical scenario involves access to a contaminated reference set containing a small fraction of outliers. This paper analyzes the impact of such contamination on the validity of conformal methods. We prove that under realistic, non-adversarial settings, calibration on contaminated data yields conservative type-I error control, shedding light on the inherent robustness of conformal methods. This conservativeness, however, typically results in a loss of power. To alleviate this limitation, we propose a novel, active data-cleaning framework that leverages a limited labeling budget and an outlier detection model to selectively annotate data points in the contaminated reference set that are suspected as outliers. By removing only the annotated outliers in this ``suspicious'' subset, we can effectively enhance power while mitigating the risk of inflating the type-I error rate, as supported by our theoretical analysis. Experiments on real datasets validate the conservative behavior of conformal methods under contamination and show that the proposed data-cleaning strategy improves power without sacrificing validity.

Bayesian phylogenetics is vital for understanding evolutionary dynamics, and requires accurate and efficient approximation of posterior distributions over trees. In this work, we develop a variational Bayesian approach for ultrametric phylogenetic trees. We present a novel variational family based on coalescent times of a single-linkage clustering and derive a closed-form density for the resulting distribution over trees. Unlike existing methods for ultrametric trees, our method performs inference over all of tree space, it does not require any Markov chain Monte Carlo subroutines, and our variational family is differentiable. Through experiments on benchmark genomic datasets and an application to the viral RNA of SARS-CoV-2, we demonstrate that our method achieves competitive accuracy while requiring significantly fewer gradient evaluations than existing state-of-the-art techniques.

The GPT-4o's excellent duplex speech interaction ability has given users an impressive experience. Researchers have recently proposed several multimodal LLMs to achieve user-agent speech-to-speech conversations. In this paper, we propose a novel speech-text multimodal LLM architecture called Freeze-Omni, and our main contribution is that the speech input and output modalities can be easily connected to a textual LLM while keeping the LLM's parameters frozen throughout the training process. We effectively ensure that the intelligence of the Freeze-Omni in the speech modality is at the same level as that in the text modality of its backbone LLM while achieving low latency in the end-to-end spoken response. In addition, we also designed a method to achieve duplex dialogue ability through multitask training, giving Freeze-Omni a more natural style of dialogue ability between users and agents. In summary, Freeze-Omni holds great potential to conduct speech-to-speech dialogue based on a multimodal LLM under the condition of a frozen LLM, avoiding the catastrophic forgetting problem caused by limited data and training resources.

We study online learning in constrained Markov decision processes (CMDPs) with adversarial losses and stochastic hard constraints, under bandit feedback. We consider three scenarios. In the first one, we address general CMDPs, where we design an algorithm attaining sublinear regret and cumulative positive constraints violation. In the second scenario, under the mild assumption that a policy strictly satisfying the constraints exists and is known to the learner, we design an algorithm that achieves sublinear regret while ensuring that constraints are satisfied at every episode with high probability. In the last scenario, we only assume the existence of a strictly feasible policy, which is not known to the learner, and we design an algorithm attaining sublinear regret and constant cumulative positive constraints violation. Finally, we show that in the last two scenarios, a dependence on the Slater's parameter is unavoidable. To the best of our knowledge, our work is the first to study CMDPs involving both adversarial losses and hard constraints. Thus, our algorithms can deal with general non-stationary environments subject to requirements much stricter than those manageable with existing ones, enabling their adoption in a much wider range of applications.

We introduce a framework for designing efficient diffusion models for $d$-dimensional symmetric-space Riemannian manifolds, including the torus, sphere, special orthogonal group and unitary group. Existing manifold diffusion models often depend on heat kernels, which lack closed-form expressions and require either $d$ gradient evaluations or exponential-in-$d$ arithmetic operations per training step. We introduce a new diffusion model for symmetric manifolds with a spatially-varying covariance, allowing us to leverage a projection of Euclidean Brownian motion to bypass heat kernel computations. Our training algorithm minimizes a novel efficient objective derived via Ito's Lemma, allowing each step to run in $O(1)$ gradient evaluations and nearly-linear-in-$d$ ($O(d^{1.19})$) *arithmetic* operations, reducing the gap between diffusions on symmetric manifolds and Euclidean space. Manifold symmetries ensure the diffusion satisfies an "average-case" Lipschitz condition, enabling accurate and efficient sample generation. Empirically, our model outperforms prior methods in training speed and improves sample quality on synthetic datasets on the torus, special orthogonal group, and unitary group.

Long context fine-tuning of large language models(LLMs) involves training on datasets that are predominantly composed of short sequences and a small proportion of longer sequences. However, existing approaches overlook this long-tail distribution and employ training strategies designed specifically for long sequences. Moreover, these approaches also fail to address the challenges posed by variable sequence lengths during distributed training, such as load imbalance in data parallelism and severe pipeline bubbles in pipeline parallelism. These issues lead to suboptimal training performance and poor GPU resource utilization. To tackle these problems, we propose a chunk-centric training method named ChunkFlow. ChunkFlow reorganizes input sequences into uniformly sized chunks by consolidating short sequences and splitting longer ones. This approach achieves optimal computational efficiency and balance among training inputs. Additionally, ChunkFlow incorporates a state-aware chunk scheduling mechanism to ensure that the peak memory usage during training is primarily determined by the chunk size rather than the maximum sequence length in the dataset. Integrating this scheduling mechanism with existing pipeline scheduling algorithms further enhances the performance of distributed training. Experimental results demonstrate that, compared with Megatron-LM, ChunkFlow can be up to 4.53x faster in the long context fine-tuning of LLMs. Furthermore, we believe that ChunkFlow serves as an effective solution for a broader range of scenarios, such as long context continual pre-training, where datasets contain variable-length sequences.

In aligning large language models (LLMs), reward models have played an important role, but are standardly trained as discriminative models and rely only on labeled human preference data. In this paper, we explore methods that train reward models using both unlabeled and labeled data. Building on the generative models in LLMs, we develop a generative reward model that is first trained via large-scale unsupervised learning and then fine-tuned via supervised learning. We also show that by using label smoothing, we are in fact optimizing a regularized pairwise ranking loss. This result, in turn, provides a new view of training reward models, which links generative models and discriminative models under the same class of training objectives. The outcome of these techniques is a foundation reward model, which can be applied to a wide range of tasks with little or no further fine-tuning effort. Extensive experiments show that this model generalizes well across several tasks, including response ranking, reinforcement learning from human feedback, and task adaptation with fine-tuning, achieving significant performance improvements over several strong baseline models.

While state-of-the-art language models achieve impressive results through next-token prediction, they have inherent limitations such as the inability to revise already generated tokens. This has prompted exploration of alternative approaches such as discrete diffusion. However, masked diffusion, which has emerged as a popular choice due to its simplicity and effectiveness, reintroduces this inability to revise words. To overcome this, we generalize masked diffusion, deriving a new family of general interpolating discrete diffusion (GIDD) which offers greater flexibility in the design of the noising processes. Leveraging a novel diffusion ELBO, we achieve compute-matched state-of-the-art performance in diffusion language modeling. Exploiting GIDD's flexibility, we explore a hybrid approach combining masking and uniform noise, leading to improved sample quality and unlocking the ability for the model to correct its own mistakes, an area where autoregressive models notoriously have struggled. Code: https://github.com/dvruette/gidd/

Preference alignment in Large Language Models (LLMs) has significantly improved their ability to adhere to human instructions and intentions. However, existing direct alignment algorithms primarily focus on relative preferences and often overlook the qualitative aspects of responses, despite having access to preference data that includes reward scores from judge models during AI feedback. Striving to maximize the implicit reward gap between the chosen and the slightly inferior rejected responses can cause overfitting and unnecessary unlearning of the high-quality rejected responses. The unawareness of the reward scores also drives the LLM to indiscriminately favor the low-quality chosen responses and fail to generalize to optimal responses that are sparse in data. To overcome these shortcomings, our study introduces reward-conditioned LLM policies that discern and learn from the entire spectrum of response quality within the dataset, helping extrapolate to more optimal regions. We propose an effective yet simple data relabeling method that conditions the preference pairs on quality scores to construct a reward-augmented dataset. The experiments across various benchmarks and diverse models demonstrate that our approach consistently boosts DPO by a considerable margin. Through comprehensive ablation studies, we demonstrate that our method not only maximizes the utility of preference data but also mitigates the issue of unlearning, demonstrating its broad effectiveness beyond mere data expansion. Our code is available at https://github.com/shenao-zhang/reward-augmented-preference.

Visual localization aims to predict the absolute camera pose for a single query image. However, predominant methods focus on single-camera images and scenes with limited appearance variations, limiting their applicability to cross-domain scenes commonly encountered in real-world applications. Furthermore, the long-tail distribution of cross-domain datasets poses additional challenges for visual localization. In this work, we propose a novel cross-domain data generation method to enhance visual localization methods. To achieve this, we first construct a cross-domain 3DGS to accurately model photometric variations and mitigate the interference of dynamic objects in large-scale scenes. We introduce a text-guided image editing model to enhance data diversity for addressing the long-tail distribution problem and design an effective fine-tuning strategy for it. Then, we develop an anchor-based method to generate high-quality datasets for visual localization. Finally, we introduce positional attention to address data ambiguities in cross-camera images. Extensive experiments show that our method achieves state-of-the-art accuracy, outperforming existing cross-domain visual localization methods by an average of 59\% across all domains. Project page: https://yzwang-sjtu.github.io/CDG-Loc.

We establish the asymptotic implicit bias of gradient descent (GD) for generic non-homogeneous deep networks under exponential loss. Specifically, we characterize three key properties of GD iterates starting from a sufficiently small empirical risk, where the threshold is determined by a measure of the network's non-homogeneity. First, we show that a normalized margin induced by the GD iterates increases nearly monotonically. Second, we prove that while the norm of the GD iterates diverges to infinity, the iterates themselves converge in direction. Finally, we establish that this directional limit satisfies the Karush–Kuhn–Tucker (KKT) conditions of a margin maximization problem. Prior works on implicit bias have focused exclusively on homogeneous networks; in contrast, our results apply to a broad class of non-homogeneous networks satisfying a mild near-homogeneity condition. In particular, our results apply to networks with residual connections and non-homogeneous activation functions, thereby resolving an open problem posed byJi & Telgarsky (2020).

Vision GNN (ViG) demonstrates superior performance by representing images as graph structures, providing a more natural way to capture irregular semantic patterns beyond traditional grid or sequence-based representations. To efficiently adapt ViG to downstream tasks, parameter-efficient fine-tuning techniques like visual prompting become increasingly essential. However, existing prompting methods are primarily designed for Transformer-based models, neglecting the rich topological relationships among nodes and edges in graph-based representations, limiting their capacity to model complex semantics. In this paper, we propose Vision Graph Prompting (VGP), a novel framework tailored for vision graph structures. Our core insight reveals that semantically connected components in the graph exhibit low-rank properties. Building on this observation, we introduce a semantic low-rank prompting method that decomposes low-rank semantic features and integrates them with prompts on vision graph topologies, capturing both global structural patterns and fine-grained semantic dependencies. Extensive experiments demonstrate our method significantly improves ViG’s transfer performance on diverse downstream tasks, achieving results comparable to full fine-tuning while maintaining parameter efficiency.

Existing analysis of Local (Stochastic) Gradient Descent for heterogeneous objectives requires stepsizes $\eta \leq 1/K$ where $K$ is the communication interval, which ensures monotonic decrease of the objective. In contrast, we analyze Local Gradient Descent for logistic regression with separable, heterogeneous data using any stepsize $\eta > 0$. With $R$ communication rounds and $M$ clients, we show convergence at a rate $\mathcal{O}(1/\eta K R)$ after an initial unstable phase lasting for $\widetilde{\mathcal{O}}(\eta K M)$ rounds. This improves upon the existing $\mathcal{O}(1/R)$ rate for general smooth, convex objectives. Our analysis parallels the single machine analysis of Wu et al. (2024) in which instability is caused by extremely large stepsizes, but in our setting another source of instability is large local updates with heterogeneous objectives.

Despite advances in learning-based methods, finding valid Lyapunov functions for nonlinear dynamical systems remains challenging. Current neural network approaches face two main issues: challenges in scalable verification and limited interpretability. To address these, we propose an end-to-end framework using transformers to construct analytical Lyapunov functions (local), which simplifies formal verification, enhances interpretability, and provides valuable insights for control engineers. Our framework consists of a transformer-based trainer that generates candidate Lyapunov functions and a falsifier that verifies candidate expressions and refines the model via risk-seeking policy gradient. Unlike Alfarano et al. (2024), which utilizes pre-training and seeks global Lyapunov functions for low-dimensional systems, our model is trained from scratch via reinforcement learning (RL) and succeeds in finding local Lyapunov functions for *high-dimensional* and *non-polynomial* systems. Given the symbolic nature of the Lyapunov function candidates, we employ efficient optimization methods for falsification during training and formal verification tools for the final verification. We demonstrate the efficiency of our approach on a range of nonlinear dynamical systems with up to ten dimensions and show that it can discover Lyapunov functions not previously identified in the control literature. Full implementation is available on [Github](https://github.com/JieFeng-cse/Analytical-Lyapunov-Function-Discovery).

Training deep neural networks (DNNs) on memory-limited GPUs is challenging, as storing intermediate activations often exceeds available memory. Re-materialization, a technique that preserves exact computations, addresses this by selectively recomputing activations instead of storing them. However, existing methods either fail to scale, lack generality, or introduce excessive execution overhead. We introduce ${\mbox{HiRemate}}$ a ${\textit hierarchical}$ re-materialization framework that recursively partitions large computation graphs, applies optimized solvers at multiple levels, and merges solutions into a global efficient training schedule. This enables scalability to significantly larger graphs than prior ILP-based methods while keeping runtime overhead low. Designed for single-GPU models and activation re-materialization, HiRemate extends the feasibility of training networks with thousands of graph nodes, surpassing prior methods in both efficiency and scalability. Experiments on various types of networks yield up to 50-70% memory reduction with only 10-15% overhead, closely matching optimal solutions while significantly reducing solver time. Seamlessly integrating with PyTorch Autograd, HiRemate requires almost no code change to use, enabling broad adoption in memory-constrained deep learning.

State-Space Models (SSMs), and particularly Mamba, have recently emerged as a promising alternative to Transformers. Mamba introduces input selectivity to its SSM layer (S6) and incorporates convolution and gating into its block definition. While these modifications do improve Mamba's performance over its SSM predecessors, it remains largely unclear how Mamba leverages the additional functionalities provided by input selectivity, and how these interact with the other operations in the Mamba architecture. In this work, we demystify the role of input selectivity in Mamba, investigating its impact on function approximation power, long-term memorization, and associative recall capabilities. In particular: (i) we prove that the S6 layer of Mamba can represent projections onto *Haar wavelets*, providing an edge over its Diagonal SSM (S4D) predecessor in approximating discontinuous functions commonly arising in practice; (ii) we show how the S6 layer can dynamically counteract memory decay; (iii) we provide analytical solutions to the MQAR associative recall task using the Mamba architecture with different mixers --- Mamba, Mamba-2, and S4D. We demonstrate the tightness of our theoretical constructions with empirical results on concrete tasks. Our findings offer a mechanistic understanding of Mamba and reveal opportunities for improvement.