NeurIPS 2025 论文列表

While deep learning methods have achieved strong performance in time series prediction, their black-box nature and inability to explicitly model underlying stochastic processes often limit their robustness handling non-stationary data, especially in the presence of abrupt changes. In this work, we introduce Neural MJD, a neural network based non-stationary Merton jump diffusion (MJD) model. Our model explicitly formulates forecasting as a stochastic differential equation (SDE) simulation problem, combining a time-inhomogeneous Itô diffusion to capture non-stationary stochastic dynamics with a time-inhomogeneous compound Poisson process to model abrupt jumps. To enable tractable learning, we introduce a likelihood truncation mechanism that caps the number of jumps within small time intervals and provide a theoretical error bound for this approximation. Additionally, we propose an Euler-Maruyama with restart solver, which achieves a provably lower error bound in estimating expected states and reduced variance compared to the standard solver. Experiments on both synthetic and real-world datasets demonstrate that Neural MJD consistently outperforms state-of-the-art deep learning and statistical learning methods. Our code is available at https://github.com/DSL-Lab/neural-MJD.

We introduce GS2E (Gaussian Splatting to Event Generation), a large-scale synthetic event dataset designed for high-fidelity event vision tasks, captured from real-world sparse multi-view RGB images. Existing event datasets are often synthesized from dense RGB videos, which typically suffer from limited viewpoint diversity and geometric inconsistency, or rely on expensive, hard-to-scale hardware setups. GS2E addresses these limitations by first reconstructing photorealistic static scenes using 3D Gaussian Splatting, followed by a novel, physically-informed event simulation pipeline. This pipeline integrates adaptive trajectory interpolation with physically-consistent event contrast threshold modeling. As a result, it generates temporally dense and geometrically consistent event streams under diverse motion and lighting conditions, while maintaining strong alignment with the underlying scene structure. Experimental results on event-based 3D reconstruction highlight GS2E’s superior generalization capabilities and its practical value as a benchmark for advancing event vision research.

Recent advancements in LLM pretraining have featured ever-expanding context windows to process longer sequences. However, our controlled study reveals that models pretrained with shorter context windows consistently outperform their long-context counterparts under a fixed token budget. This finding motivates us to explore an optimal context window scheduling strategy to better balance long-context capability with pretraining efficiency. To this end, we propose SkyLadder, a simple yet effective approach that implements a short-to-long context window transition. SkyLadder preserves strong standard benchmark performance, while matching or exceeding baseline results on long-context tasks. Through extensive experiments, we pretrain 1B-parameter models (up to 32K context) and 3B-parameter models (8K context) on 100B tokens, demonstrating that SkyLadder yields consistent gains of up to 3.7% on common benchmarks, while achieving up to 22% faster training speeds compared to baselines.

Computing partial differential equation (PDE) operators via nested backpropagation is expensive, yet popular, and severely restricts their utility for scientific machine learning. Recent advances, like the forward Laplacian and randomizing Taylor mode automatic differentiation (AD), propose forward schemes to address this. We introduce an optimization technique for Taylor mode that 'collapses' derivatives by rewriting the computational graph, and demonstrate how to apply it to general linear PDE operators, and randomized Taylor mode. The modifications simply require propagating a sum up the computational graph, which could---or should---be done by a machine learning compiler, without exposing complexity to users. We implement our collapsing procedure and evaluate it on popular PDE operators, confirming it accelerates Taylor mode and outperforms nested backpropagation.

Transformers have achieved state-of-the-art performance across various tasks, but suffer from a notable quadratic complexity in sequence length due to the attention mechanism. In this work, we propose MonarchAttention -- a novel approach to sub-quadratic attention approximation via Monarch matrices, an expressive class of structured matrices. Based on the variational form of softmax, we describe an efficient optimization-based algorithm to compute an approximate projection of softmax attention onto the class of Monarch matrices with $\Theta(N\sqrt{N} d)$ computational complexity and $\Theta(Nd)$ memory/IO complexity. Unlike previous approaches, MonarchAttention is both (1) transferable, yielding minimal performance loss with no additional training, even when replacing every attention layer of the transformer, and (2) hardware-efficient, utilizing the highest-throughput tensor core units on modern GPUs. With optimized kernels, MonarchAttention achieves substantial speed-ups in wall-time over FlashAttention-2: $1.4\times$ for shorter sequences $(N=256)$, $4.5\times$ for medium-length sequences $(N=4K)$, and $8.2\times$ for longer sequences $(N=16K)$. We demonstrate the quality of MonarchAttention on diverse tasks and architectures in vision and language problems, showing that it flexibly and accurately approximates softmax attention in a variety of contexts.

Large Language Models (LLMs) demonstrate impressive zero-shot performance across a wide range of natural language processing tasks. Integrating various modality encoders further expands their capabilities, giving rise to Multimodal Large Language Models (MLLMs) that process not only text but also visual and auditory modality inputs. However, these advanced capabilities may also pose significant safety problems, as models can be exploited to generate harmful or inappropriate content through jailbreak attack. While prior work has extensively explored how manipulating textual or visual modality inputs can circumvent safeguards in LLMs and MLLMs, the vulnerability of audio-specific Jailbreak on Large Audio-Language Models (LALMs) remains largely underexplored. To address this gap, we introduce \textbf{Jailbreak-AudioBench}, which consists of the Toolbox, curated Dataset, and comprehensive Benchmark. The Toolbox supports not only text-to-audio conversion but also various editing techniques for injecting audio hidden semantics. The curated Dataset provides diverse explicit and implicit jailbreak audio examples in both original and edited forms. Utilizing this dataset, we evaluate multiple state-of-the-art LALMs and establish the most comprehensive Jailbreak benchmark to date for audio modality. Finally, Jailbreak-AudioBench establishes a foundation for advancing future research on LALMs safety alignment by enabling the in-depth exposure of more powerful jailbreak threats, such as query-based audio editing, and by facilitating the development of effective defense mechanisms.

In recent years, face-based deep-learning gaze estimation methods have achieved significant advancements. However, while face images provide supplementary information beneficial for gaze inference, the substantial extraneous information they contain also increases the risk of overfitting during model training and compromises generalization capability. To alleviate this problem, we propose the 3DPE-Gaze framework, explicitly modeling 3D facial priors for feature decoupling and generalized gaze estimation. The 3DPE-Gaze framework consists of two core modules: the 3D Geometric Prior Module (3DGP) incorporating the FLAME model to parameterize facial structures and gaze-irrelevant facial appearances while extracting gaze features; the Semantic Concept Alignment Module (SCAM) separates gaze-related and unrelated concepts through CLIP-guided contrastive learning. Finally, the 3DPE-Gaze framework combines 3D facial landmark as prior for generalized gaze estimation. Experimental results show that 3DPE-Gaze outperforms existing state-of-the-art methods on four major cross-domain tasks, with particularly outstanding performance in challenging scenarios such as lighting variations, extreme head poses, and glasses occlusion.

This paper introduces **ReservoirTTA**, a novel plug–in framework designed for prolonged test–time adaptation (TTA) in scenarios where the test domain continuously shifts over time, including cases where domains recur or evolve gradually. At its core, ReservoirTTA maintains a reservoir of domain-specialized models—an adaptive test-time model ensemble—that both detects new domains via online clustering over style features of incoming samples and routes each sample to the appropriate specialized model, and thereby enables domain-specific adaptation. This multi-model strategy overcomes key limitations of single model adaptation, such as catastrophic forgetting, inter-domain interference, and error accumulation, ensuring robust and stable performance on sustained non-stationary test distributions. Our theoretical analysis reveals key components that bound parameter variance and prevent model collapse, while our plug–in TTA module mitigates catastrophic forgetting of previously encountered domains. Extensive experiments on scene-level corruption benchmarks (ImageNet-C, CIFAR-10/100-C), object-level style shifts (DomainNet-126, PACS), and semantic segmentation (Cityscapes→ACDC) — covering recurring and continuously evolving domain shifts — show that ReservoirTTA substantially improves adaptation accuracy and maintains stable performance across prolonged, recurring shifts, outperforming state-of-the-art methods. Our code is publicly available at https://github.com/LTS5/ReservoirTTA.

The quadratic complexity of self‑attention prevents transformers from scaling effectively to long input sequences. On the other hand, modern GPUs and other specialized hardware accelerators are well-optimized for processing small input sequences in transformers during both training and inference. A natural question arises: can we take advantage of the efficiency of small transformers to deal with long input sequences? In this paper, we show that transformers with long input sequences (large transformers) can be efficiently simulated by transformers that can only take short input sequences (small transformers). Specifically, we prove that any transformer with input length $N$ can be efficiently simulated by only $O((N/M)^2)$ transformers with input length $M \ll N$, and that this cannot be improved in the worst case. However, we then prove that in various natural scenarios including average-case inputs, sliding window masking and attention sinks, the optimal number $O(N/M)$ of small transformers suffice.

Large language models (LLMs) have emerged as a dominant AI paradigm due to their exceptional text understanding and generation capabilities. However, their tendency to generate inconsistent or erroneous outputs challenges their reliability, especially in high-stakes domains requiring accuracy and trustworthiness. Existing research primarily focuses on detecting and mitigating model misbehavior in general-purpose scenarios, often overlooking the potential of integrating domain-specific knowledge. In this work, we advance misbehavior detection by incorporating domain knowledge. The core idea is to design a general specification language that enables domain experts to customize domain-specific constraints in a lightweight and intuitive manner, supporting later runtime monitoring of LLM outputs. To achieve this, we design a novel specification language ESL, and introduce a runtime verification framework RvLLM to validate LLM output against domain-specific constraints defined in ESL. RvLLM operates in two main stages: interpretation and reasoning. During interpretation, it derives interpretations of the specification based on the context, which then guide the reasoning process to identify inconsistencies. When new knowledge is derived, RvLLM issues a follow-up query to the LLM to further verify the consistency. We evaluate RvLLM on three representative tasks: violation detection against Singapore Rapid Transit Systems Act, numerical comparison, and inequality solving. Experimental results show that RvLLM effectively detects erroneous outputs across various LLMs in a lightweight and flexible manner. The results reveal that despite their impressive capabilities, LLMs remain prone to low-level errors due to a lack of formal guarantees during inference, and our framework offers a potential long-term solution by leveraging expert domain knowledge to rigorously and efficiently verify LLM outputs.

Large language models (LLMs) exhibit impressive in‑context learning (ICL) capabilities, yet the quality of their predictions is fundamentally limited by the few costly labeled demonstrations that can fit into a prompt. Meanwhile, there exist vast and continuously growing amounts of unlabeled data that may be closely related to the ICL task. How to utilize such unlabeled data to provably enhance the performance of ICL thus becomes an emerging fundamental question. In this work, we propose a novel augmented ICL framework, in which the prompt includes a small set of labeled examples alongside a block of unlabeled inputs. We focus on the multi-class linear classification setting and demonstrate that, with chain-of-thought (CoT) prompting, a multi-layer transformer can effectively emulate an expectation–maximization (EM) algorithm. This enables the transformer to implicitly extract useful information from both labeled and unlabeled data, leading to provable improvements in ICL accuracy. Moreover, we show that such a transformer can be trained via teacher forcing, with its parameters converging to the desired solution at a linear rate. Experiments demonstrate that the augmented ICL framework consistently outperforms conventional few-shot ICL, providing empirical support for our theoretical findings. To the best of our knowledge, this is the first theoretical study on the impact of unlabeled data on the ICL performance of transformers.

In recent years, there has been much interest in understanding the generalization behavior of interpolating predictors, which overfit on noisy training data. Whereas standard analyses are concerned with whether a method is consistent or not, recent observations have shown that even inconsistent predictors can generalize well. In this work, we revisit the classic interpolating Nadaraya-Watson (NW) estimator (also known as Shepard's method), and study its generalization capabilities through this modern viewpoint. In particular, by varying a single bandwidth-like hyperparameter, we prove the existence of multiple overfitting behaviors, ranging non-monotonically from catastrophic, through benign, to tempered. Our results highlight how even classical interpolating methods can exhibit intricate generalization behaviors. In addition, for the purpose of tuning the hyperparameter, the results suggest that over-estimating the intrinsic dimension of the data is less harmful than under-estimating it. Numerical experiments complement our theory, demonstrating the same phenomena.

3D scene understanding has been transformed by open-vocabulary language models that enable interaction via natural language. However, at present the evaluation of these representations is limited to datasets with closed-set semantics that do not capture the richness of language. This work presents OpenLex3D, a dedicated benchmark for evaluating 3D open-vocabulary scene representations. OpenLex3D provides entirely new label annotations for scenes from Replica, ScanNet++, and HM3D, which capture real-world linguistic variability by introducing synonymical object categories and additional nuanced descriptions. Our label sets provide 13 times more labels per scene than the original datasets. By introducing an open-set 3D semantic segmentation task and an object retrieval task, we evaluate various existing 3D open-vocabulary methods on OpenLex3D, showcasing failure cases, and avenues for improvement. Our experiments provide insights on feature precision, segmentation, and downstream capabilities. The benchmark is publicly available at: https://openlex3d.github.io/.

In this work, we study $\gamma$-discounted infinite-horizon tabular Markov decision processes (MDPs) and introduce a framework called dynamic policy gradient (DynPG). The framework directly integrates dynamic programming with (any) policy gradient method, explicitly leveraging the Markovian property of the environment. DynPG dynamically adjusts the problem horizon during training, decomposing the original infinite-horizon MDP into a sequence of contextual bandit problems. By iteratively solving these contextual bandits, DynPG converges to the stationary optimal policy of the infinite-horizon MDP. To demonstrate the power of DynPG, we establish its non-asymptotic global convergence rate under the tabular softmax parametrization, focusing on the dependencies on salient but essential parameters of the MDP. By combining classical arguments from dynamic programming with more recent convergence arguments of policy gradient schemes, we prove that softmax DynPG scales polynomially in the effective horizon $(1-\gamma)^{-1}$. Our findings contrast recent exponential lower bound examples for vanilla policy gradient.

Semi-Infinite Programming (SIP) has emerged as a powerful framework for modeling problems with infinite constraints, however, its theoretical development in the context of nonconvex and large-scale optimization remains limited. In this paper, we investigate a class of nonconvex min-max optimization problems with nonconvex infinite constraints, motivated by applications such as adversarial robustness and safety-constrained learning. We propose a novel inexact dynamic barrier primal-dual algorithm and establish its convergence properties. Specifically, under the assumption that the squared infeasibility residual function satisfies the Lojasiewicz inequality with exponent $\theta \in (0,1)$, we prove that the proposed method achieves $\mathcal{O}(\epsilon^{-3})$, $\mathcal{O}(\epsilon^{-6\theta})$, and $\mathcal{O}(\epsilon^{-3\theta/(1-\theta)})$ iteration complexities to achieve an $\epsilon$-approximate stationarity, infeasibility, and complementarity slackness, respectively. Numerical experiments on robust multitask learning with task priority further illustrate the practical effectiveness of the algorithm.

With the rapid development of Large Vision Language Models, the focus of Graphical User Interface (GUI) agent tasks shifts from single-screen tasks to complex screen navigation challenges. However, real-world GUI environments, such as PC software and mobile Apps, are often complex and proprietary, making it difficult to obtain the comprehensive environment information needed for agent training and evaluation. This limitation hinders systematic investigation and benchmarking of agent navigation capabilities. To address this limitation, we introduce GUI Exploration Lab, a simulation environment engine for GUI agent navigation research that enables flexible definition and composition of screens, icons, and navigation graphs, while providing full access to environment information for comprehensive agent training and evaluation. Through extensive experiments, we find that supervised fine-tuning enables effective memorization of fundamental knowledge, serving as a crucial foundation for subsequent training. Building on this, single-turn reinforcement learning further enhances generalization to unseen scenarios. Finally, multi-turn reinforcement learning encourages the development of exploration strategies through interactive trial and error, leading to further improvements in screen navigation performance. We validate our methods on both static and interactive benchmarks, demonstrating that our findings generalize effectively to real-world scenarios. These findings demonstrate the advantages of reinforcement learning approaches in GUI navigation and offer practical guidance for building more capable and generalizable GUI agents.

Global seismic tomography, taking advantage of seismic waves from natural earthquakes, provides essential insights into the earth's internal dynamics. Advanced Full-Waveform Inversion (FWI) techniques, whose aim is to meticulously interpret every detail in seismograms, confront formidable computational demands in forward modeling and adjoint simulations on a global scale. Recent advancements in Machine Learning (ML) offer a transformative potential for accelerating the computational efficiency of FWI and extending its applicability to larger scales. This work presents the first 3D global synthetic dataset tailored for seismic wavefield modeling and full-waveform tomography, referred to as the Global Tomography (GlobalTomo) dataset. This dataset is comprehensive, incorporating explicit wave physics and robust geophysical parameterization at realistic global scales, generated through state-of-the-art forward simulations optimized for 3D global wavefield calculations. Through extensive analysis and the establishment of ML baselines, we illustrate that ML approaches are particularly suitable for global FWI, overcoming its limitations with rapid forward modeling and flexible inversion strategies. This work represents a cross-disciplinary effort to enhance our understanding of the earth's interior through physics-ML modeling.

We introduce \textit{FFN Fusion}, an architectural optimization technique that reduces sequential computation in large language models by identifying and exploiting natural opportunities for parallelization. Our key insight is that sequences of Feed-Forward Network (FFN) layers, particularly those remaining after the removal of specific attention layers, can often be parallelized with minimal accuracy impact. We develop a principled methodology for identifying and fusing such sequences, transforming them into parallel operations that significantly reduce inference latency while preserving model behavior. Applying these techniques to Llama-3.1-405B-Instruct, we create a 253B model (253B-Base), an efficient and soon-to-be publicly available model that achieves a 1.71$\times$ speedup in inference latency and 35$\times$ lower per-token cost while maintaining strong performance across benchmarks. Most intriguingly, we find that even full transformer blocks containing both attention and FFN layers can sometimes be parallelized, suggesting new directions for neural architecture design.

We present Q-chunking, a simple yet effective recipe for improving reinforcement learning (RL) algorithms for long-horizon, sparse-reward tasks. Our recipe is designed for the offline-to-online RL setting, where the goal is to leverage an offline prior dataset to maximize the sample-efficiency of online learning. Effective exploration and sample-efficient learning remain central challenges in this setting, as it is not obvious how the offline data should be utilized to acquire a good exploratory policy. Our key insight is that action chunking, a technique popularized in imitation learning where sequences of future actions are predicted rather than a single action at each timestep, can be applied to temporal difference (TD)-based RL methods to mitigate the exploration challenge. Q-chunking adopts action chunking by directly running RL in a *chunked* action space, enabling the agent to (1) leverage temporally consistent behaviors from offline data for more effective online exploration and (2) use unbiased $n$-step backups for more stable and efficient TD learning. Our experimental results demonstrate that Q-chunking exhibits strong offline performance and online sample efficiency, outperforming prior best offline-to-online methods on a range of long-horizon, sparse-reward manipulation tasks.