NeurIPS 2025 Papers

We study the problem of learning a neural sampler to generate samples from discrete state spaces where the target probability mass function $\pi\propto\mathrm{e}^{-U}$ is known up to a normalizing constant, which is an important task in fields such as statistical physics, machine learning, combinatorial optimization, etc. To better address this challenging task when the state space has a large cardinality and the distribution is multi-modal, we propose **M**asked **D**iffusion **N**eural **S**ampler (**MDNS**), a novel framework for training discrete neural samplers by aligning two path measures through a family of learning objectives, theoretically grounded in the stochastic optimal control of the continuous-time Markov chains. We validate the efficiency and scalability of MDNS through extensive experiments on various distributions with distinct statistical properties, where MDNS learns to accurately sample from the target distributions despite the extremely high problem dimensions and outperforms other learning-based baselines by a large margin. A comprehensive study of ablations and extensions is also provided to demonstrate the efficacy and potential of the proposed framework. Our code is available at https://github.com/yuchen-zhu-zyc/MDNS.

We study nonlinearly preconditioned gradient methods for smooth nonconvex optimization problems, focusing on sigmoid preconditioners that inherently perform a form of gradient clipping akin to the widely used gradient clipping technique. Building upon this idea, we introduce a novel heavy ball-type algorithm and provide convergence guarantees under a generalized smoothness condition that is less restrictive than traditional Lipschitz smoothness, thus covering a broader class of functions. Additionally, we develop a stochastic variant of the base method and study its convergence properties under different noise assumptions. We compare the proposed algorithms with baseline methods on diverse tasks from machine learning including neural network training.

Analysing how neural networks represent data features in their activations can help interpret how they perform tasks. Hence, a long line of work has focused on mathematically characterising the geometry of such "neural representations." In parallel, machine learning has seen a surge of interest in understanding how dynamical systems perform computations on time-varying input data. Yet, the link between computation-through-dynamics and representational geometry remains poorly understood. Here, we hypothesise that recurrent neural networks (RNNs) perform computations by dynamically warping their representations of task variables. To test this hypothesis, we develop a Riemannian geometric framework that enables the derivation of the manifold topology and geometry of a dynamical system from the manifold of its inputs. By characterising the time-varying geometry of RNNs, we show that dynamic warping is a fundamental feature of their computations.

Restoring images degraded by adverse weather remains a significant challenge due to the highly non-uniform and spatially heterogeneous nature of weather-induced artifacts, \emph{e.g.}, fine-grained rain streaks versus widespread haze. Accurately estimating the underlying degradation can intuitively provide restoration models with more targeted and effective guidance, enabling adaptive processing strategies. To this end, we propose a Morton-Order Degradation Estimation Mechanism (MODEM) for adverse weather image restoration. Central to MODEM is the Morton-Order 2D-Selective-Scan Module (MOS2D), which integrates Morton-coded spatial ordering with selective state-space models to capture long-range dependencies while preserving local structural coherence. Complementing MOS2D, we introduce a Dual Degradation Estimation Module (DDEM) that disentangles and estimates both global and local degradation priors. These priors dynamically condition the MOS2D modules, facilitating adaptive and context-aware restoration. Extensive experiments and ablation studies demonstrate that MODEM achieves state-of-the-art results across multiple benchmarks and weather types, highlighting its effectiveness in modeling complex degradation dynamics. Our code will be released soon.

Large language models (LLMs) have shown increasing effectiveness in Text-to-SQL tasks. However, another closely related problem, Cross-System SQL Translation (a.k.a., SQL-to-SQL), which adapts a query written for one database system (e.g., MySQL) into its equivalent one for another system (e.g., ClickHouse), is of great practical importance but remains underexplored. Existing SQL benchmarks are not well-suited for SQL-to-SQL evaluation, which (1) focus on a limited set of database systems (often just SQLite) and (2) cannot capture many system-specific SQL dialects (e.g., customized functions, data types, and syntax rules). Thus, in this paper, we introduce PARROT, a Practical And Realistic BenchmaRk for CrOss-System SQL Translation. PARROT comprises 598 translation pairs from 38 open-source benchmarks and real-world business services, specifically prepared to challenge system-specific SQL understanding (e.g., LLMS achieve lower than 38.53% accuracy on average). We also provide multiple benchmark variants, including PARROT-Diverse with 28,003 translation (for extensive syntax testing) and PARROT-Simple with 5,306 representative samples (for focused stress testing), covering 22 production-grade database systems. To promote future research, we release a public leaderboard and source code at: https://code4db.github.io/parrot-bench/.

Foundation models for time series analysis (TSA) have attracted significant attention. However, challenges such as training data scarcity and imbalance continue to hinder their development. Inspired by complex dynamic system theories, we design a series-symbol data generation mechanism, enabling the unrestricted creation of high-quality time series data paired with corresponding symbolic expressions. To leverage series-symbol data pairs with strong correlations, we develop SymTime, a pre-trained foundation model for enhancing time series representation using symbolic information. SymTime demonstrates competitive performance across five major TSA tasks when fine-tunes with downstream tasks, rivaling foundation models pre-trained on real-world datasets. This approach underscores the potential of series-symbol data generation and pretraining mechanisms in overcoming data scarcity and enhancing task performance. The code is available at https://github.com/wwhenxuan/SymTime.

We consider the problem of certified robustness for sequence classification against edit distance perturbations. Naturally occurring inputs of varying lengths (e.g., sentences in natural language processing tasks) present a challenge to current methods that employ fixed-rate deletion mechanisms and lead to suboptimal performance. To this end, we introduce AdaptDel methods with adaptable deletion rates that dynamically adjust based on input properties. We extend the theoretical framework of randomized smoothing to variable-rate deletion, ensuring sound certification with respect to edit distance. We achieve strong empirical results in natural language tasks, observing up to 30 orders of magnitude improvement to median cardinality of the certified region, over state-of-the-art certifications.

A significant use case of instruction-finetuned Large Language Models (LLMs) is to solve question-answering tasks interactively. In this setting, an LLM agent is tasked with making a prediction by sequentially querying relevant information from the user, as opposed to a single-turn conversation. This paper explores sequential querying strategies that aim to minimize the expected number of queries. One such strategy is Information Pursuit (IP), a greedy algorithm that at each iteration selects the query that maximizes information gain or equivalently minimizes uncertainty. However, obtaining accurate estimates of mutual information or conditional entropy for LLMs is very difficult in practice due to over- or under-confident LLM probabilities, which leads to suboptimal query selection and predictive performance. To better estimate the uncertainty at each iteration, we propose *Conformal Information Pursuit (C-IP)*, an alternative approach to sequential information gain based on conformal prediction sets. More specifically, C-IP leverages a relationship between prediction sets and conditional entropy at each iteration to estimate uncertainty based on the average size of conformal prediction sets. In contrast to conditional entropy, we find that conformal prediction sets are a distribution-free and robust method of measuring uncertainty. Experiments with 20 Questions show that C-IP obtains better predictive performance and shorter query-answer chains compared to previous approaches to IP and uncertainty-based chain-of-thought methods. Furthermore, extending to an interactive medical setting between a doctor and a patient on the MediQ dataset, C-IP achieves competitive performance with direct single-turn prediction while offering greater interpretability.

Diffusion transformers demonstrate significant potential for various generation tasks but are challenged by high computational cost. Recently, feature caching methods have been introduced to improve inference efficiency by storing features at certain timesteps and reusing them at subsequent timesteps. However, their effectiveness is limited as they rely only on choosing between cached features and performing model inference. Motivated by high cosine similarity between features across consecutive timesteps, we propose a cache-based framework that reuses features and selectively adapts them through linear modulation. In our framework, the selection is performed via a modulation gate, and both the gate and modulation parameters are learned. Extensive experiments show that our method achieves similar generation performance to the original sampler while requiring significantly less computation. For example, FLOPs and inference latency are reduced by $2.93\times$ and $2.15\times$ for DiT-XL/2 and by $2.83\times$ and $1.50\times$ for PixArt-$\alpha$, respectively. We find that modulation is effective when applied to as little as 2\% of layers, resulting in negligible computation overhead.

Enhancing the cross-domain generalization of 3D semantic segmentation is a pivotal task in computer vision that has recently gained increasing attention. Most existing methods, whether using consistency regularization or cross-modal feature fusion, focus solely on individual objects while overlooking implicit semantic dependencies among them, resulting in the loss of useful semantic information. Inspired by the diffusion model's ability to flexibly compose diverse objects into high-quality images across varying domains, we seek to harness its capacity for capturing underlying contextual distributions and spatial arrangements among objects to address the challenging task of cross-domain 3D semantic segmentation. In this paper, we propose a novel cross-modal learning framework based on diffusion models to enhance the generalization of 3D semantic segmentation, named XDiff3D. XDiff3D comprises three key ingredients: (1) constructing object agent queries from diffusion features to aggregate instance semantic information; (2) decoupling fine-grained local details from object agent queries to prevent interference with 3D semantic representation; (3) leveraging object agent queries as an interface to enhance the modeling of object semantic dependencies in 3D representations. Extensive experiments validate the effectiveness of our method, achieving state-of-the-art performance across multiple benchmarks in different task settings. Code is available at \url{https://github.com/FanLiHub/XDiff3D}.

Understanding and predicting emotions from videos has gathered significant attention in recent studies, driven by advancements in video large language models (VideoLLMs). While advanced methods have made progress in video emotion analysis, the intrinsic nature of emotions—characterized by their open-set, dynamic, and context-dependent properties—poses challenge in understanding complex and evolving emotional states with reasonable rationale. To tackle these challenges, we propose a novel affective cues-guided reasoning framework that unifies fundamental attribute perception, expression analysis, and high-level emotional understanding in a stage-wise manner. At the core of our approach is a family of video emotion foundation models (VidEmo), specifically designed for emotion reasoning and instruction-following. These models undergo a two-stage tuning process: first, curriculum emotion learning for injecting emotion knowledge, followed by affective-tree reinforcement learning for emotion reasoning. Moreover, we establish a foundational data infrastructure and introduce a emotion-centric fine-grained dataset (Emo-CFG) consisting of 2.1M diverse instruction-based samples. Emo-CFG includes explainable emotional question-answering, fine-grained captions, and associated rationales, providing essential resources for advancing emotion understanding tasks. Experimental results demonstrate that our approach achieves competitive performance, setting a new milestone across 15 face perception tasks.

Deriving compact and temporally aware visual representations from dynamic scenes is essential for successful execution of sequential scene understanding tasks such as visual tracking and robotic manipulation. In this paper, we introduce Token Bottleneck (ToBo), a simple yet intuitive self-supervised learning pipeline that squeezes a scene into a bottleneck token and predicts the subsequent scene using minimal patches as hints. The ToBo pipeline facilitates the learning of sequential scene representations by conservatively encoding the reference scene into a compact bottleneck token during the squeeze step. In the expansion step, we guide the model to capture temporal dynamics by predicting the target scene using the bottleneck token along with few target patches as hints. This design encourages the vision backbone to embed temporal dependencies, thereby enabling understanding of dynamic transitions across scenes. Extensive experiments in diverse sequential tasks, including video label propagation and robot manipulation in simulated environments demonstrate the superiority of ToBo over baselines. Moreover, deploying our pre-trained model on physical robots confirms its robustness and effectiveness in real-world environments. We further validate the scalability of ToBo across different model scales. Code is available at https://github.com/naver-ai/tobo.

Mixture-of-Experts (MoE) architectures within Large Reasoning Models (LRMs) have achieved impressive reasoning capabilities by selectively activating experts to facilitate structured cognitive processes. Despite notable advances, existing reasoning models often suffer from cognitive inefficiencies like overthinking and underthinking. To address these limitations, we introduce a novel inference-time steering methodology called Reinforcing Cognitive Experts (RICE), designed to improve reasoning depth and efficiency without additional training or complex heuristics. Leveraging normalized Pointwise Mutual Information (nPMI), we systematically identify specialized experts, termed cognitive experts that orchestrate meta-level reasoning operations characterized by tokens like <think>. Empirical evaluations with leading MoE-based LRMs (DeepSeek-R1 and Qwen3-235B) on rigorous quantitative and scientific reasoning benchmarks (AIME and GPQA Diamond) demonstrate noticeable and consistent improvements in reasoning accuracy, cognitive efficiency, and cross-domain generalization. Crucially, our lightweight approach substantially outperforms prevalent reasoning-steering techniques, such as prompt design and decoding constraints, while preserving the model's general instruction-following skills. These results highlight reinforcing cognitive experts as a promising, practical, and interpretable direction to enhance cognitive efficiency within advanced reasoning models.

Dataset distillation compresses large-scale datasets into compact, highly informative synthetic data, significantly reducing storage and training costs. However, existing research primarily focuses on balanced datasets and struggles to perform under real-world long-tailed distributions. In this work, we emphasize the critical role of soft labels in long-tailed dataset distillation and uncover the underlying mechanisms contributing to performance degradation. Specifically, we derive an imbalance-aware generalization bound for model trained on distilled dataset. We then identify two primary sources of soft-label bias, which originate from the distillation model and the distilled images, through systematic perturbation of the data imbalance levels. To address this, we propose ADSA, an Adaptive Soft-label Alignment module that calibrates the entangled biases. This lightweight module integrates seamlessly into existing distillation pipelines and consistently improves performance. On ImageNet-1k-LT with EDC and IPC=50, ADSA improves tail-class accuracy by up to 11.8\% and raises overall accuracy to 41.4\%. Extensive experiments demonstrate that ADSA provides a robust and generalizable solution under limited label budgets and across a range of distillation techniques.

This work establishes a novel link between the problem of PAC-learning high-dimensional graphical models and the task of (efficient) counting and sampling of graph structures, using an online learning framework. The problem of efficiently counting and sampling graphical structures, such as spanning trees and acyclic orientations, has been a vibrant area of research in algorithms. We show that this rich algorithmic foundation can be leveraged to develop new algorithms for learning high-dimensional graphical models. We present the first efficient algorithm for (both realizable and agnostic) learning of Bayes nets with a chordal skeleton. In particular, we present an algorithm that, given integers $k,d > 0$, error parameter $\varepsilon > 0$, an undirected chordal graph $G$ on $n$ vertices, and sample access to a distribution $P^\ast$ on $[k]^n$; (1) returns a Bayes net $\widehat{P}$ with skeleton $G$ and indegree $d$, whose KL-divergence from $P^\ast$ is at most $\varepsilon$ more than the optimal KL-divergence between $P^\ast$ and any Bayes net with skeleton $G$ and indegree $d$, (2) uses $\widetilde{O}(n^3k^{d+1}/\varepsilon^2)$ samples from $P^\ast$ and runs in time $\mathrm{poly}(n,k,\varepsilon^{-1})$ for constant $d$. Prior results in this spirit were for only for trees ($d=1$, tree skeleton) via Chow-Liu, and in the realizable setting for polytrees (arbitrary $d$ but tree skeleton). Thus, our result significantly extends the state-of-the-art in learning Bayes net distributions. We also establish new results for learning tree and polytree distributions.

Reinforcement learning, such as PPO and GRPO, has powered recent breakthroughs in LLM reasoning. Scaling rollout to sample more prompts enables models to selectively use higher-quality data for training, which can stabilize RL training and improve model performance, but at the cost of significant computational overhead. In this paper, we first show that a substantial portion of this overhead can be avoided by skipping uninformative prompts before rollout. Our analysis of reward dynamics reveals a strong temporal consistency in prompt value: prompts that are uninformative in one epoch of training are likely to remain uninformative in near future epochs. Based on these insights, we propose GRESO (GRPO with Efficient Selective Rollout), an online, lightweight pre-rollout filtering algorithm that predicts and skips uninformative prompts using reward training dynamics. By evaluating GRESO on a broad range of math reasoning benchmarks and models, like Qwen2.5-Math-1.5B, DeepSeek-R1-Distill-Qwen-1.5B, Qwen2.5-Math-7B, Qwen2.5-14B, and Qwen2.5-32B, we show that GRESO achieves up to 2.4x wall-clock time speedup in rollout and up to 2.0x speedup in total training time without accuracy degradation. We make our code publicly available at https://github.com/Infini-AI-Lab/GRESO/.

Forecasting multi-step user behavior trajectories requires reasoning over structured preferences across future actions, a challenge overlooked by traditional sequential recommendation. This problem is critical for applications such as personalized commerce and adaptive content delivery, where anticipating a user’s complete action sequence enhances both satisfaction and business outcomes. We identify an essential limitation of existing paradigms: their inability to capture global, listwise dependencies among sequence items. To address this, we formulate User Behavior Trajectory Prediction (UBTP) as a new task setting that explicitly models longterm user preferences. We introduce Listwise Preference Diffusion Optimization (LPDO), a diffusion-based training framework that directly optimizes structured preferences over entire item sequences. LPDO incorporates a Plackett–Luce supervision signal and derives a tight variational lower bound aligned with listwise ranking likelihoods, enabling coherent preference generation across denoising steps and overcoming the independent-token assumption of prior diffusion methods. To rigorously evaluate multi-step prediction quality, we propose the task-specific metric: Sequential Match (SeqMatch), which measures exact trajectory agreement, and adopt Perplexity (PPL), which assesses probabilistic fidelity. Extensive experiments on real-world user behavior benchmarks demonstrate that LPDO consistently outperforms state-of-the-art baselines, establishing a new benchmark for structured preference learning with diffusion models.

Recent disentangled representation learning (DRL) methods heavily rely on factor-specific strategies—either learning objectives for attributes or model architectures for objects—to embed inductive biases. Such divergent approaches result in significant overhead when novel factors of variation do not align with prior assumptions, such as statistical independence or spatial exclusivity, or when multiple factors coexist, as practitioners must redesign architectures or objectives. To address this, we propose a compositional bias, a modular inductive bias decoupled from both objectives and architectures. Our key insight is that different factors obey distinct "recombination rules" in the data distribution: global attributes are mutually exclusive, *e.g.,* a face has one nose, while objects share a common support (any subset of objects can co-exist). We therefore randomly remix latents according to factor-specific rules, *i.e.,* a mixing strategy, and force the encoder to discover whichever factor structure the mixing strategy reflects through two complementary objectives: (i) a prior loss that ensures every remix decodes into a realistic image, and (ii) the compositional consistency loss introduced by Wiedemer et al., which aligns each composite image with its corresponding composite latent. Under this general framework, simply adjusting the mixing strategy enables disentanglement of attributes, objects, and even both, without modifying the objectives or architectures. Extensive experiments demonstrate that our method shows competitive performance in both attribute and object disentanglement, and uniquely achieves joint disentanglement of global style and objects. Code is available at https://github.com/whieya/Compositional-DRL.

Pretraining language models with extended context windows enhances their ability to leverage rich information during generation. Existing methods split input sequences into chunks, broadcast them across multiple devices, and compute attention block by block which incurs significant communication overhead. While feasible in high-speed clusters, these methods are impractical for decentralized training over low-bandwidth connections. We propose a compression method for communication-efficient context parallelism in decentralized settings, achieving a remarkable compression rate of over 95% with negligible overhead and no loss in convergence. Our key insight is to exploit the intrinsic low-rank structure of activation outputs by dynamically constraining them to learned mixtures of subspaces via efficient reparameterizations. We demonstrate scaling billion-parameter decentralized models to context lengths exceeding 100K tokens on networks as slow as 300Mbps, matching the wall-clock convergence speed of centralized models on 100Gbps interconnects.