ICML 2025 论文列表

Recent diffusion-based generative models achieve remarkable results by training on massive datasets, yet this practice raises concerns about memorization and copyright infringement. A proposed remedy is to train exclusively on noisy data with potential copyright issues, ensuring the model never observes original content. However, through the lens of deconvolution theory, we show that although it is theoretically feasible to learn the data distribution from noisy samples, the practical challenge of collecting sufficient samples makes successful learning nearly unattainable. To overcome this limitation, we propose to pretrain the model with a small fraction of clean data to guide the deconvolution process. Combined with our Stochastic Forward--Backward Deconvolution (SFBD) method, we attain FID 6.31 on CIFAR-10 with just 4% clean images (and 3.58 with 10%). We also provide theoretical guarantees that SFBD learns the true data distribution. These results underscore the value of limited clean pretraining, or pretraining on similar datasets. Empirical studies further validate and enrich our findings.

Counterfactual image generation presents significant challenges, including preserving identity, maintaining perceptual quality, and ensuring faithfulness to an underlying causal model. While existing auto-encoding frameworks admit semantic latent spaces which can be manipulated for causal control, they struggle with scalability and fidelity. Advancements in diffusion models present opportunities for improving counterfactual image editing, having demonstrated state-of-the-art visual quality, human-aligned perception and representation learning capabilities. Here, we present a suite of diffusion-based causal mechanisms, introducing the notions of spatial, semantic and dynamic abduction. We propose a general framework that integrates semantic representations into diffusion models through the lens of Pearlian causality to edit images via a counterfactual reasoning process. To the best of our knowledge, ours is the first work to consider high-level semantic identity preservation for diffusion counterfactuals and to demonstrate how semantic control enables principled trade-offs between faithful causal control and identity preservation.

This position paper contends that modern AI research must adopt an antifragile perspective on safety---one in which the system's capacity to handle rare or out-of-distribution (OOD) events adapts and expands over repeated exposures. Conventional static benchmarks and single-shot robustness tests overlook the reality that environments evolve and that models, if left unchallenged, can drift into maladaptation (e.g., reward hacking, over-optimization, or atrophy of broader capabilities). We argue that an antifragile approach---Rather than striving to rapidly reduce current uncertainties, the emphasis is on leveraging those uncertainties to better prepare for potentially greater, more unpredictable uncertainties in the future---is pivotal for the long-term reliability of open-ended ML systems. In this position paper, we first identify key limitations of static testing, including scenario diversity, reward hacking, and over-alignment. We then explore the potential of dynamic, antifragile solutions to manage rare events. Crucially, we advocate for a fundamental recalibration of the methods used to measure, benchmark, and continually improve AI safety over the long term, complementing existing robustness approaches by providing ethical and practical guidelines towards fostering an antifragile AI safety community.

Prompting has become a dominant paradigm for adapting large language models (LLMs). While discrete (textual) prompts are widely used for their interpretability, soft (parameter) prompts have recently gained traction in APIs. This is because they can encode information from more training samples while minimizing the user's token usage, leaving more space in the context window for task-specific input. However, soft prompts are tightly coupled to the LLM they are tuned on, limiting their generalization to other LLMs. This constraint is particularly problematic for *efficiency* and *privacy*: (1) tuning prompts on each LLM incurs high computational costs, especially as LLMs continue to grow in size. Additionally, (2) when the LLM is hosted externally, soft prompt tuning often requires sharing private data with the LLM provider. For instance, this is the case with the NVIDIA NeMo API. To address these issues, we propose POST (**P**rivacy **O**f **S**oft prompt **T**ransfer), a framework that enables private tuning of soft prompts on a small model and subsequently transfers these prompts to a larger LLM. POST uses knowledge distillation to derive a small model directly from the large LLM to improve prompt transferability, tunes the soft prompt locally, optionally with differential privacy guarantees, and transfers it back to the larger LLM using a small public dataset. Our experiments show that POST reduces computational costs, preserves privacy, and effectively transfers high-utility soft prompts.

Continual learning (CL) focuses on the ability of models to learn sequentially from a stream of tasks. A major challenge in CL is catastrophic forgetting (CF). CF is a phenomenon where the model experiences significant performance degradation on previously learned tasks after training on new tasks. Although CF is commonly observed in convolutional neural networks (CNNs), the theoretical understanding about CF within CNNs remains limited. To fill the gap, we present a theoretical analysis of CF in a two-layer CNN. By employing a multi-view data model, we analyze the learning dynamics of different features throughout CL and derive theoretical insights. The findings are supported by empirical results from both simulated and real-world datasets.

Meta reinforcement learning aims to develop policies that generalize to unseen tasks sampled from a task distribution. While context-based meta-RL methods improve task representation using task latents, they often struggle with out-of-distribution (OOD) tasks. To address this, we propose Task-Aware Virtual Training (TAVT), a novel algorithm that accurately captures task characteristics for both training and OOD scenarios using metric-based representation learning. Our method successfully preserves task characteristics in virtual tasks and employs a state regularization technique to mitigate overestimation errors in state-varying environments. Numerical results demonstrate that TAVT significantly enhances generalization to OOD tasks across various MuJoCo and MetaWorld environments. Our code is available at https://github.com/JM-Kim-94/tavt.git.

We design differentially private algorithms for the problem of prediction with expert advice under dynamic regret, also known as tracking the best expert. Our work addresses three natural types of adversaries, stochastic with shifting distributions, oblivious, and adaptive, and designs algorithms with sub-linear regret for all three cases. In particular, under a shifting stochastic adversary where the distribution may shift $S$ times, we provide an $\epsilon$-differentially private algorithm whose expected dynamic regret is at most $O\left( \sqrt{S T \log (NT)} + \frac{S \log (NT)}{\epsilon}\right)$, where $T$ and $N$ are the time horizon and number of experts, respectively. For oblivious adversaries, we give a reduction from dynamic regret minimization to static regret minimization, resulting in an upper bound of $O\left(\sqrt{S T \log(NT)} + \frac{S T^{1/3}\log(T/\delta) \log(NT)}{\epsilon ^{2/3}}\right)$ on the expected dynamic regret, where $S$ now denotes the allowable number of switches of the best expert. Finally, similar to static regret, we establish a fundamental separation between oblivious and adaptive adversaries for the dynamic setting: while our algorithms show that sub-linear regret is achievable for oblivious adversaries in the high-privacy regime $\epsilon \le \sqrt{S/T}$, we show that any $(\epsilon, \delta)$-differentially private algorithm must suffer linear dynamic regret under adaptive adversaries for $\epsilon \le \sqrt{S/T}$. Finally, to complement this lower bound, we give an $\epsilon $-differentially private algorithm that attains sub-linear dynamic regret under adaptive adversaries whenever $\epsilon \gg \sqrt{S/T}$.

Open-Ended object Detection (OED) is a novel and challenging task that detects objects and generates their category names in a free-form manner, without requiring additional vocabularies during inference. However, the existing OED models, such as GenerateU, require large-scale datasets for training, suffer from slow convergence, and exhibit limited performance. To address these issues, we present a novel and efficient Open-Det framework, consisting of four collaborative parts. Specifically, Open-Det accelerates model training in both the bounding box and object name generation process by reconstructing the Object Detector and the Object Name Generator. To bridge the semantic gap between Vision and Language modalities, we propose a Vision-Language Aligner with V-to-L and L-to-V alignment mechanisms, incorporating with the Prompts Distiller to transfer knowledge from the VLM into VL-prompts, enabling accurate object name generation for the LLM. In addition, we design a Masked Alignment Loss to eliminate contradictory supervision and introduce a Joint Loss to enhance classification, resulting in more efficient training. Compared to GenerateU, Open-Det, using only 1.5% of the training data (0.077M vs. 5.077M), 20.8% of the training epochs (31 vs. 149), and fewer GPU resources (4 V100 vs. 16 A100), achieves even higher performance (+1.0% in APr). The source codes are available at: https://github.com/Med-Process/Open-Det.

Large Language Models (LLMs) have expanded their capabilities beyond language generation to interact with external tools, enabling automation and real-world applications. However, tool hallucinations—where models either select inappropriate tools or misuse them—pose significant challenges, leading to erroneous task execution, increased computational costs, and reduced system reliability. To systematically address this issue, we define and categorize tool hallucinations into two main types: tool selection hallucination and tool usage hallucination. To evaluate and mitigate these issues, we introduce RelyToolBench, which integrates specialized test cases and novel metrics to assess hallucination-aware task success and efficiency. Finally, we propose Relign, a reliability alignment framework that expands the tool-use action space to include indecisive actions, allowing LLMs to defer tool use, seek clarification, or adjust tool selection dynamically. Through extensive experiments, we demonstrate that Relign significantly reduces tool hallucinations, improves task reliability, and enhances the efficiency of LLM tool interactions. The code and data will be publicly available.

In domains such as finance, healthcare, and robotics, managing worst-case scenarios is critical, as failure to do so can lead to catastrophic outcomes. Distributional Reinforcement Learning (DRL) provides a natural framework to incorporate risk sensitivity into decision-making processes. However, existing approaches face two key limitations: (1) the use of fixed risk measures at each decision step often results in overly conservative policies, and (2) the interpretation and theoretical properties of the learned policies remain unclear. While optimizing a static risk measure addresses these issues, its use in the DRL framework has been limited to the simple static CVaR risk measure. In this paper, we present a novel DRL algorithm with convergence guarantees that optimizes for a broader class of static Spectral Risk Measures (SRM). Additionally, we provide a clear interpretation of the learned policy by leveraging the distribution of returns in DRL and the decomposition of static coherent risk measures. Extensive experiments demonstrate that our model learns policies aligned with the SRM objective, and outperforms existing risk-neutral and risk-sensitive DRL models in various settings.

Shock waves caused by earthquakes can be devastating. Generating realistic earthquake-caused ground motion waveforms help reducing losses in lives and properties, yet generative models for the task tend to generate subpar waveforms. We present High-fidelity Earthquake Groundmotion Generation System (HEGGS) and demonstrate its superior performance using earthquakes from North American, East Asian, and European regions. HEGGS exploits the intrinsic characteristics of earthquake dataset and learns the waveforms using an end-to-end differentiable generator containing conditional latent diffusion model and hi-fidelity waveform construction model. We show the learning efficiency of HEGGS by training it on a single GPU machine and validate its performance using earthquake databases from North America, East Asia, and Europe, using diverse criteria from waveform generation tasks and seismology. Once trained, HEGGS can generate three dimensional E-N-Z seismic waveforms with accurate P/S phase arrivals, envelope correlation, signal-to-noise ratio, GMPE analysis, frequency content analysis, and section plot analysis.

Molecular pretrained representations (MPR) has emerged as a powerful approach for addressing the challenge of limited supervised data in applications such as drug discovery and material design. While early MPR methods relied on 1D sequences and 2D graphs, recent advancements have incorporated 3D conformational information to capture rich atomic interactions. However, these prior models treat molecules merely as discrete atom sets, overlooking the space surrounding them. We argue from a physical perspective that only modeling these discrete points is insufficient. We first present a simple yet insightful observation: naively adding randomly sampled virtual points beyond atoms can surprisingly enhance MPR performance. In light of this, we propose a principled framework that incorporates the entire 3D space spanned by molecules. We implement the framework via a novel Transformer-based architecture, dubbed SpaceFormer, with three key components: (1)grid-based space discretization; (2)grid sampling/merging; and (3)efficient 3D positional encoding. Extensive experiments show that SpaceFormer significantly outperforms previous 3D MPR models across various downstream tasks with limited data, validating the benefit of leveraging the additional 3D space beyond atoms in MPR models.

We study the linear bandit problem under limited adaptivity, known as the batched linear bandit. While existing approaches can achieve near-optimal regret in theory, they are often computationally prohibitive or underperform in practice. We propose BLAE, a novel batched algorithm that integrates arm elimination with regularized G-optimal design, achieving the minimax optimal regret (up to logarithmic factors in $T$) in both large-$K$ and small-$K$ regimes for the first time, while using only $O(\log\log T)$ batches. Our analysis introduces new techniques for batch-wise optimal design and refined concentration bounds. Crucially, BLAE demonstrates low computational overhead and strong empirical performance, outperforming state-of-the-art methods in extensive numerical evaluations. Thus, BLAE is the first algorithm to combine provable minimax-optimality in all regimes and practical superiority in batched linear bandits.

While autoregressive models dominate natural language generation, their application to tabular data remains limited due to two challenges: 1) tabular data contains heterogeneous types, whereas autoregressive next-token (distribution) prediction is designed for discrete data, and 2) tabular data is column permutation-invariant, requiring flexible generation orders. Traditional autoregressive models, with their fixed generation order, struggle with tasks like missing data imputation, where the target and conditioning columns vary. To address these issues, we propose Diffusion-nested Non-autoregressive Transformer (TabNAT), a hybrid model combining diffusion processes and masked generative modeling. For continuous columns, TabNAT uses a diffusion model to parameterize their conditional distributions, while for discrete columns, it employs next-token prediction with KL divergence minimization. A masked Transformer with bi-directional attention enables order-agnostic generation, allowing it to learn the distribution of target columns conditioned on arbitrary observed columns. Extensive experiments on ten datasets with diverse properties demonstrate TabNAT's superiority in both unconditional tabular data generation and conditional missing data imputation tasks.

Peptide sequencing—the process of identifying amino acid sequences from mass spectrometry data—is a fundamental task in proteomics. Non-Autoregressive Transformers (NATs) have proven highly effective for this task, outperforming traditional methods. Unlike autoregressive models, which generate tokens sequentially, NATs predict all positions simultaneously, leveraging bidirectional context through unmasked self-attention. However, existing NAT approaches often rely on Connectionist Temporal Classification (CTC) loss, which presents significant optimization challenges due to CTC's complexity and increases the risk of training failures. To address these issues, we propose an improved non-autoregressive peptide sequencing model that incorporates a structured protein sequence curriculum learning strategy. This approach adjusts protein's learning difficulty based on the model’s estimated protein generational capabilities through a sampling process, progressively learning peptide generation from simple to complex sequences. Additionally, we introduce a self-refining inference-time module that iteratively enhances predictions using learned NAT token embeddings, improving sequence accuracy at a fine-grained level. Our curriculum learning strategy reduces NAT training failures frequency by more than 90% based on sampled training over various data distributions. Evaluations on nine benchmark species demonstrate that our approach outperforms all previous methods across multiple metrics and species. Model and source code are available at https://github.com/BEAM-Labs/denovo.

The field of hypothesis generation promises to reduce costs in neuroscience by narrowing the range of interventional studies needed to study various phenomena. Existing machine learning methods can generate scientific hypotheses from complex datasets, but many approaches assume causal relationships are static over time, limiting their applicability to systems with dynamic, state-dependent behavior, such as the brain. While some techniques attempt dynamic causal discovery through factor models, they often restrict relationships to linear patterns or impose other simplifying assumptions. We propose a novel method that models dynamic graphs as a conditionally weighted superposition of static graphs, where each static graph can capture nonlinear relationships. This approach enables the detection of complex, time-varying interactions between variables beyond linear limitations. Our method improves f1-scores of predicted dynamic causal patterns by roughly 22-28% on average over baselines in some of our experiments, with some improvements reaching well over 60%. A case study on real brain data demonstrates our method's ability to uncover relationships linked to specific behavioral states, offering valuable insights into neural dynamics.

Length generalization is the ability of a learning algorithm to learn a hypothesis which generalizes to longer inputs than the inputs in the training set. In this paper, we provide provable guarantees of length generalization for various classes of functions in an idealized setting. First, we formalize the framework of non-asymptotic length generalization, which requires a computable upper bound for the minimum input length that guarantees length generalization, as a function of the complexity of ground-truth function under some given complexity measure. We refer to this minimum input length to length generalize as length complexity. We show the Minimum-Complexity Interpolator learning algorithm achieves optimal length complexity. We further show that whether a function class admits non-asymptotic length generalization is equivalent to the decidability of its language equivalence problem, which implies that there is no computable upper bound for the length complexity of Context-Free Grammars. On the positive side, we show that the length complexity of Deterministic Finite Automata is $2n - 2$ where $n$ is the number of states of the ground-truth automaton. Our main results are upper bounds of length complexity for a subset of a transformer-related function class called C-RASP (Yang & Chiang, 2024). We show that the length complexity of 1-layer C-RASP functions is $O(T^2)$ when the ground-truth function has precision $T$, and that the length complexity of 2-layer C-RASP functions is $O(T^{O(K)})$ when the ground-truth function has precision $T$ and $K$ heads.

Event-based object detection has attracted increasing attention for its high temporal resolution, wide dynamic range, and asynchronous address-event representation. Leveraging these advantages, spiking neural networks (SNNs) have emerged as a promising approach, offering low energy consumption and rich spatiotemporal dynamics. To further enhance the performance of event-based object detection, this study proposes a novel hybrid spike vision Transformer (HsVT) model. The HsVT model integrates a spatial feature extraction module to capture local and global features, and a temporal feature extraction module to model time dependencies and long-term patterns in event sequences. This combination enables HsVT to capture spatiotemporal features, improving its capability in handling complex event-based object detection tasks. To support research in this area, we developed the Fall Detection dataset as a benchmark for event-based object detection tasks. The Fall DVS detection dataset protects facial privacy and reduces memory usage thanks to its event-based representation. Experimental results demonstrate that HsVT outperforms existing SNN methods and achieves competitive performance compared to ANN-based models, with fewer parameters and lower energy consumption.

Deep neural networks have reshaped modern machine learning by learning powerful latent representations that often align with the manifold hypothesis: high-dimensional data lie on lower-dimensional manifolds. In this paper, we establish a connection between manifold learning and computational algebra by demonstrating how vanishing ideals can characterize the latent manifolds of deep networks. To that end, we propose a new neural architecture that (i) truncates a pretrained network at an intermediate layer, (ii) approximates each class manifold via polynomial generators of the vanishing ideal, and (iii) transforms the resulting latent space into linearly separable features through a single polynomial layer. The resulting models have significantly fewer layers than their pretrained baselines, while maintaining comparable accuracy, achieving higher throughput, and utilizing fewer parameters. Furthermore, drawing on spectral complexity analysis, we derive sharper theoretical guarantees for generalization, showing that our approach can in principle offer tighter bounds than standard deep networks. Numerical experiments confirm the effectiveness and efficiency of the proposed approach.