NeurIPS 2025 论文列表

Gated Linear Units (GLUs) have become essential components in the feed-forward networks of state-of-the-art Large Language Models (LLMs). However, they require twice as many memory reads compared to feed-forward layers without gating, due to the use of separate weight matrices for the gate and value streams. To address this bottleneck, we introduce Masked Gated Linear Units (MGLUs), a novel family of GLUs with an efficient kernel implementation. The core contribution of MGLUs include: (1) the Mixture of Element-wise Gating (MoEG) architecture that learns multiple binary masks, each determining gate or value assignments at the element level on a single shared weight matrix resulting in reduced memory transfer, and (2) FlashMGLU, a hardware-friendly kernel that yields up to a 19.7$\times$ inference-time speed-up over a na\"ive PyTorch MGLU and is 47\% more memory-efficient and 34\% faster than standard GLUs despite added architectural complexity on an RTX5090 GPU. In LLM experiments, the Swish-activated variant SwiMGLU preserves its memory advantages while matching—or even surpassing—the downstream accuracy of the SwiGLU baseline.

Chain-of-Thought reasoning has emerged as a powerful approach for solving complex math- ematical and logical problems. However, it can often veer off track through incorrect or unsubstantiated inferences. Formal mathematical reasoning, which can be checked with a formal verifier, is one approach to addressing this issue. However, currently LLMs are simply not good enough to solve complex problems in a formal way, and even just formalizing an informal problem statement can be challenging. Motivated by this fact, in this work we consider the problem of learning reliable verifiers for sequential reasoning, including natural language Chain-of-Thought reasoning. That is, given a problem statement and step-by-step solution in natural language, the aim of the verifier is to output [Yes] if the reasoning steps in the solution are all valid, and [No] otherwise. In this work we give a formal PAC-learning framework for studying this problem. We propose and analyze several natural verification goals, at different levels of strength, in this framework. We provide sample complexity upper-bounds for learning verifiers satisfying these goals, as well as lower-bound and impossibility results for learning other natural verification objectives without additional assumptions.

Vision-language models are integral to computer vision research, yet many high-performing models remain closed-source, obscuring their data, design and training recipe. The research community has responded by using distillation from black-box models to label training data, achieving strong benchmark results, at the cost of measurable scientific progress. However, without knowing the details of the teacher model and its data sources, scientific progress remains difficult to measure. In this paper, we study building a Perception Language Model (PLM) in a fully open and reproducible framework for transparent research in image and video understanding. We analyze standard training pipelines without distillation from proprietary models and explore large-scale synthetic data to identify critical data gaps, particularly in detailed video understanding. To bridge these gaps, we release 2.8M human-labeled instances of fine-grained video question-answer pairs and spatio-temporally grounded video captions. Additionally, we introduce PLM–VideoBench, a suite for evaluating challenging video understanding tasks focusing on the ability to reason about ''what'', ''where'', ''when'', and ''how'' of a video. We make our work fully reproducible by providing data, training recipes, code & models.

Current 3D layout estimation models are predominantly trained on synthetic datasets biased toward simplistic, single-floor scenes. This prevents them from generalizing to complex, multi-floor buildings, often forcing a per-floor processing approach that sacrifices global context. Few works have attempted to holistically address multi-floor layouts. In this work, we introduce HouseLayout3D, a real-world benchmark dataset, which highlights the limitations of existing research when handling expansive, architecturally complex spaces. Additionally, we propose MultiFloor3D, a baseline method leveraging recent advances in 3D reconstruction and 2D segmentation. Our approach significantly outperforms state-of-the-art methods on both our new and existing datasets. Remarkably, it does not require any layout-specific training.

Tropical Cyclone (TC) estimation aims to accurately estimate various TC attributes in real time. However, distribution shifts arising from the complex and dynamic nature of TC environmental fields, such as varying geographical conditions and seasonal changes, present significant challenges to reliable estimation. Most existing methods rely on multi-modal fusion for feature extraction but overlook the intrinsic distribution of feature representations, leading to poor generalization under out-of-distribution (OOD) scenarios. To address this, we propose an effective Identity Distribution-Oriented Physical Invariant Learning framework (IDOL), which imposes identity-oriented constraints to regulate the feature space under the guidance of prior physical knowledge, thereby dealing distribution variability with physical invariance. Specifically, the proposed IDOL employs the wind field model and dark correlation knowledge of TC to model task-shared and task-specific identity tokens. These tokens capture task dependencies and intrinsic physical invariances of TC, enabling robust estimation of TC wind speed, pressure, inner-core, and outer-core size under distribution shifts. Extensive experiments conducted on multiple datasets and tasks demonstrate the outperformance of the proposed IDOL, verifying that imposing identity-oriented constraints based on prior physical knowledge can effectively mitigates diverse distribution shifts in TC estimation.

The advancement of diffusion models has enhanced the realism of AI-generated content but also raised concerns about misuse, necessitating robust copyright protection and tampering localization. Although recent methods have made progress toward unified solutions, their reliance on post hoc processing introduces considerable application inconvenience and compromises forensic reliability. We propose StableGuard, a novel framework that seamlessly integrates a binary watermark into the diffusion generation process, ensuring copyright protection and tampering localization in Latent Diffusion Models through an end-to-end design. We develop a Multiplexing Watermark VAE (MPW-VAE) by equipping a pretrained Variational Autoencoder (VAE) with a lightweight latent residual-based adapter, enabling the generation of paired watermarked and watermark-free images. These pairs, fused via random masks, create a diverse dataset for training a tampering-agnostic forensic network. To further enhance forensic synergy, we introduce a Mixture-of-Experts Guided Forensic Network (MoE-GFN) that dynamically integrates holistic watermark patterns, local tampering traces, and frequency-domain cues for precise watermark verification and tampered region detection. The MPW-VAE and MoE-GFN are jointly optimized in a self-supervised, end-to-end manner, fostering a reciprocal training between watermark embedding and forensic accuracy. Extensive experiments demonstrate that StableGuard consistently outperforms state-of-the-art methods in image fidelity, watermark verification, and tampering localization.

Understanding the advantages of deep neural networks trained by gradient descent (GD) compared to shallow models remains an open theoretical challenge. In this paper, we introduce a class of target functions (single and multi-index Gaussian hierarchical targets) that incorporate a hierarchy of latent subspace dimensionalities. This framework enables us to analytically study the learning dynamics and generalization performance of deep networks compared to shallow ones in the high-dimensional limit. Specifically, our main theorem shows that feature learning with GD successively reduces the effective dimensionality, transforming a high-dimensional problem into a sequence of lower-dimensional ones. This enables learning the target function with drastically less samples than with shallow networks. While the results are proven in a controlled training setting, we also discuss more common training procedures and argue that they learn through the same mechanisms. These findings open the way to further quantitative studies of the crucial role of depth in learning hierarchical structures with deep networks.

Differential privacy (DP) limits the impact of individual training data samples by bounding their gradient norms through clipping. Conventional clipping operations assign unequal scaling factors to sample gradients with different norms, leading to a direction mismatch between the true batch gradient and the aggregation of the clipped gradients. Applying a smaller but identical scaling factor to all sample gradients alleviates this direction mismatch; however, it intensifies the magnitude mismatch by excessively reducing the aggregation norm. This work proposes a novel clipping method, termed adaptive sigmoid (AdaSig), which uses a sigmoid function with an adjustable saturation slope to clip the sample gradients. The slope is adaptively adjusted during the training process to balance the trade-off between direction mismatch and magnitude mismatch, as the statistics of sample gradients evolve over the training iterations. Despite AdaSig’s adaptive nature, our convergence analysis demonstrates that differentially private stochastic gradient descent (DP-SGD) with AdaSig clipping retains the best-known convergence rate under non-convex loss functions. Evaluating AdaSig on sentence and image classification tasks across different datasets shows that it consistently improves learning performance compared with established clipping methods.

In this paper, we consider fully decentralized cooperative multi-agent reinforcement learning, where each agent has access only to the states, its local actions, and the shared rewards. The absence of information about other agents' actions typically leads to the non-stationarity problem during per-agent value function updates, and the relative overgeneralization issue during value function estimation. However, existing works fail to address both issues simultaneously, as they lack the capability to model the agents' joint policy in a fully decentralized setting. To overcome this limitation, we propose a simple yet effective method named Return-Aware Context (RAC). RAC formalizes the dynamically changing task, as locally perceived by each agent, as a contextual Markov Decision Process (MDP), and addresses both non-stationarity and relative overgeneralization through return-aware context modeling. Specifically, the contextual MDP attributes the non-stationary local dynamics of each agent to switches between contexts, each corresponding to a distinct joint policy. Then, based on the assumption that the joint policy changes only between episodes, RAC distinguishes different joint policies by the training episodic return and constructs contexts using discretized episodic return values. Accordingly, RAC learns a context-based value function for each agent to address the non-stationarity issue during value function updates. For value function estimation, an individual optimistic marginal value is constructed to encourage the selection of optimal joint actions, thereby mitigating the relative overgeneralization problem. Experimentally, we evaluate RAC on various cooperative tasks (including matrix game, predator and prey, and SMAC), and its significant performance validates its effectiveness.

Large language model (LLM) based agentic workflows have become a popular paradigm for coordinating multiple specialized agents to solve complex tasks. To improve serving efficiency, existing LLM systems employ prefix caching to reuse key-value (KV) tensors corresponding to agents' fixed prompts, thereby avoiding redundant computation across repeated invocations. However, current systems typically evict KV caches using a Least Recently Used (LRU) policy, which fails to anticipate future agent usage and often discards KV caches shortly before their reuse. This leads to frequent cache misses and substantial recomputation or swap- ping overhead. We present KVFlow, a workflow-aware KV cache management framework tailored for agentic workloads. KVFlow abstracts the agent execution schedule as an Agent Step Graph and assigns each agent a steps-to-execution value that estimates its temporal proximity to future activation. These values guide a fine-grained eviction policy at the KV node level, allowing KVFlow to preserve entries likely to be reused and efficiently manage shared prefixes in tree-structured caches. Moreover, KVFlow introduces a fully overlapped KV prefetching mecha- nism, which proactively loads required tensors from CPU to GPU in background threads for agents scheduled in the next step, thereby avoiding cache miss stalls during generation. Compared to SGLang with hierarchical radix cache, KVFlow achieves up to 1.83× speedup for single workflows with large prompts, and up to 2.19× speedup for scenarios with many concurrent workflows.

Accurately extracting protocol-state machines (PSMs) from the long, densely written Request-for-Comments (RFC) standards that govern Internet‐scale communication remains a bottleneck for automated security analysis and protocol testing. In this paper, we introduce RFC2PSM, the first large-scale dataset that pairs 1,580 pages of cleaned RFC text with 108 manually validated states and 297 transitions covering 14 widely deployed protocols spanning the data-link, transport, session, and application layers. Built on this corpus, we propose PsmBench, a benchmark that (i) feeds chunked RFC to an LLM, (ii) prompts the model to emit a machine-readable PSM, and (iii) scores the output with structure-aware, semantic fuzzy-matching metrics that reward partially correct graphs. A comprehensive baseline study of nine state-of-the-art open and commercial LLMs reveals a persistent state–transition gap: models identify many individual states (up to $0.82$ F1) but struggle to assemble coherent transition graphs ($\leq 0.38$ F1), highlighting challenges in long-context reasoning, alias resolution, and action/event disambiguation. We release the dataset, evaluation code, and all model outputs as open-sourced, providing a fully reproducible starting point for future work on reasoning over technical prose and generating executable graph structures. RFC2PSM and PsmBench aim to catalyze cross-disciplinary progress toward LLMs that can interpret and verify the protocols that keep the Internet safe.

We introduce a novel framework for efficient sampling from complex, unnormalised target distributions by exploiting multiscale dynamics. Traditional score-based sampling methods either rely on learned approximations of the score function or involve computationally expensive nested Markov chain Monte Carlo (MCMC) loops. In contrast, the proposed approach leverages stochastic averaging within a slow-fast system of stochastic differential equations (SDEs) to estimate intermediate scores along a diffusion path without training or inner-loop MCMC. Two algorithms are developed under this framework: *MultALMC*, which uses multiscale annealed Langevin dynamics, and *MultCDiff*, based on multiscale controlled diffusions for the reverse-time Ornstein-Uhlenbeck process. Both overdamped and underdamped variants are considered, with theoretical guarantees of convergence to the desired diffusion path. The framework is extended to handle heavy-tailed target distributions using Student’s t-based noise models and tailored fast-process dynamics. Empirical results across synthetic and real-world benchmarks, including multimodal and high-dimensional distributions, demonstrate that the proposed methods are competitive with existing samplers in terms of accuracy and efficiency, without the need for learned models.

Instruction fine-tuning is crucial in NLP tasks, enhancing pretrained models' instruction-following capabilities and task-specific performance. However, obtaining high-quality fine-tuning data for large models is challenging due to data collection difficulties and high production costs. To address this, we propose MASTER, a novel data augmentation method that enriches original data through interactions among multiple agents with varying cognitive levels. We simulate three pedagogically grounded teaching scenarios, leveraging multi-agent conversations to generate high-quality teacher-student interaction data. Utilizing MASTER, we construct BOOST-QA, a fine-tuning dataset augmented from existing datasets like Orca-Math-200k, ProcQA, and OpenHermes2.5. Experiments show that models fine-tuned with BOOST-QA perform excellently across multiple benchmarks, demonstrating strong multitask generalization. Notably, MASTER significantly improves models' reasoning abilities in complex tasks, providing valuable insights for future research.

Dynamic 3D scene reconstruction from multi-view videos demands representation to model complex deformations at scale. Current Gaussian Splatting based methods often either suffer from significant computation cost due to dense MLP-based modeling or explicit modeling deformation of each Gaussian independently. However, the dynamics of objects within a scene are typically hierarchical and exhibit structural correlations. To leverage these structural priors into the representation, we introduce **TreeSplat**, a **Tree** data structure for deformable Gaussian **Splat**ting. In TreeSplat, as the name suggests, motions of Gaussian are represented hierarchically within a tree. Each node learns coefficients for time-varying basis functions, defining a part of the motion. The full motion for any given Gaussian is then determined by accumulating these transformations along the tree path from its leaf node to the root node. This tree isn't predefined; instead, it is constructed adaptively alongside Gaussian densification, where cloning or splitting a Gaussian correspondingly creates new leaf nodes. One central property of TreeSplat is its mergeability; after optimization during training, the hierarchical motion parameters for each Gaussian can be efficiently consolidated. By performing this merging step before test time, we eliminate the need to traverse the tree explicitly for each Gaussian during rendering. This results in dramatically faster rendering over 200 FPS and compact storage, while maintaining state-of-the-art rendering quality. Experiments on diverse synthetic and real-world datasets validate these advantages.

Object binding, the brain’s ability to bind the many features that collectively represent an object into a coherent whole, is central to human cognition. It groups low-level perceptual features into high‑level object representations, stores those objects efficiently and compositionally in memory, and supports human reasoning about individual object instances. While prior work often imposes object-centric attention (e.g., Slot Attention) explicitly to probe these benefits, it remains unclear whether this ability naturally emerges in pre-trained Vision Transformers (ViTs). Intuitively, they could: recognizing which patches belong to the same object should be useful for downstream prediction and thus guide attention. Motivated by the quadratic nature of self-attention, we hypothesize that ViTs represent whether two patches belong to the same object, a property we term *IsSameObject*. We decode *IsSameObject* from patch embeddings across ViT layers using a similarity probe, which reaches over 90\% accuracy. Crucially, this object-binding capability emerges reliably in self-supervised ViTs (DINO, MAE, CLIP), but markedly weaker in ImageNet-supervised models, suggesting that binding is not a trivial architectural artifact, but an ability acquired through specific pretraining objectives. We further discover that *IsSameObject* is encoded in a low-dimensional subspace on top of object features, and that this signal actively guides attention. Ablating *IsSameObject* from model activations degrades downstream performance and works against the learning objective, implying that emergent object binding naturally serves the pretraining objective. Our findings challenge the view that ViTs lack object binding and highlight how symbolic knowledge of “which parts belong together” emerges naturally in a connectionist system.

While conditional diffusion models have achieved remarkable success in various applications, they require abundant data to train from scratch, which is often infeasible in practice. To address this issue, transfer learning has emerged as an essential paradigm in small data regimes. Despite its empirical success, the theoretical underpinnings of transfer learning conditional diffusion models remain unexplored. In this paper, we take the first step towards understanding the sample efficiency of transfer learning conditional diffusion models through the lens of representation learning. Inspired by practical training procedures, we assume that there exists a low-dimensional representation of conditions shared across all tasks. Our analysis shows that with a well-learned representation from source tasks, the sample complexity of target tasks can be reduced substantially. Numerical experiments are also conducted to verify our results.

Differentially private (DP) synthetic data generation is a promising technique for utilizing private datasets that otherwise cannot be exposed for model training or other analytics. While much research literature has focused on generating private unstructured text and image data, in enterprise settings, structured data (e.g., tabular) is more common, often including natural language fields or components. Existing synthetic data evaluation techniques (e.g., FID) struggle to capture the structural properties and correlations of such datasets. In this work, we propose Struct-Bench, a framework and benchmark for evaluating synthetic datasets derived from structured datasets that contain natural language data. The Struct-Bench framework requires users to provide a representation of their dataset structure as a Context-Free Grammar (CFG). Our benchmark comprises 5 real-world and 2 synthetically generated datasets. We show that these datasets demonstrably present a great challenge even for state-of-the-art DP synthetic data generation methods. Struct-Bench provides reference implementations of different metrics and a leaderboard, offering a standardized platform to benchmark and investigate privacy-preserving synthetic data methods. We also present a case study showing how Struct-Bench improves the synthetic data quality of Private Evolution (PE) on structured data. The benchmark and the leaderboard have been publicly made available at https://struct-bench.github.io.

Designing optimal prompts and reasoning processes for large language models (LLMs) on domain-specific tasks is both necessary and challenging in real-world applications. Determining how to integrate domain knowledge, enhance reasoning efficiency, and even provide domain experts with refined knowledge integration hints are particularly crucial yet unresolved tasks. In this research, we propose Evolutionary Graph Optimization for Prompting (EGO-Prompt), an automated framework to designing better prompts, efficient reasoning processes and providing enhanced causal-informed process. EGO-Prompt begins with a general prompt and fault-tolerant initial Semantic Causal Graph (SCG) descriptions, constructed by human experts, which is then automatically refined and optimized to guide LLM reasoning. Recognizing that expert-defined SCGs may be partial or imperfect and that their optimal integration varies across LLMs, EGO-Prompt integrates a novel causal-guided textual gradient process in two steps: first, generating nearly deterministic reasoning guidance from the SCG for each instance, and second, adapting the LLM to effectively utilize the guidance alongside the original input. The iterative optimization algorithm further refines both the SCG and the reasoning mechanism using textual gradients with ground-truth. We tested the framework on real-world public health, transportation and human behavior tasks. EGO-Prompt achieves 7.32\%–12.61\% higher F1 than cutting-edge methods, and allows small models to reach the performence of larger models at under 20\% of the original cost. It also outputs a refined, domain-specific SCG that improves interpretability.

Spectral reconstruction from RGB images often suffers from a metameric dilemma, where distinct spectral distributions map to nearly identical RGB values, making them indistinguishable to current models and leading to unreliable reconstructions. In this paper, we present Diff-Spectra that integrates supervised physics-aware spectral estimation and unsupervised high-fidelity spectral regularization for HSI reconstruction. We first introduce an Adaptive illumiChroma Decoupling (AICD) module to decouple illumination and chrominance information, which learns intrinsic and distinctive feature distributions, thereby mitigating the metameric issue. Then, we incorporate the AICD into a learnable spectral response function (SRF) guided hyperspectral initial estimation mechanism to mimic the physical image formation and thus inject physics-aware reasoning into neural networks, turning an ill-posed problem into a constrained, interpretable task. We also introduce a metameric spectra augmentation method to synthesize comprehensive hyperspectral data to pre-train a Spectral Diffusion Module (SDM), which internalizes the statistical properties of real-world HSI data, enforcing unsupervised high-fidelity regularization on the spectral transitions via inner-loop optimization during inference. Extensive experimental evaluations demonstrate that our Diff-Spectra achieves SOTA performance on both Spectral reconstruction and downstream HSI classification.