NeurIPS 2025 Papers

Learning semantically meaningful representations from unstructured 3D point clouds remains a central challenge in computer vision, especially in the absence of large-scale labeled datasets. While masked point modeling (MPM) is widely used in self-supervised 3D learning, its reconstruction-based objective can limit its ability to capture high-level semantics. We propose AsymDSD, an Asymmetric Dual Self-Distillation framework that unifies masked modeling and invariance learning through prediction in the latent space rather than the input space. AsymDSD builds on a joint embedding architecture and introduces several key design choices: an efficient asymmetric setup, disabling attention between masked queries to prevent shape leakage, multi-mask sampling, and a point cloud adaptation of multi-crop. AsymDSD achieves state-of-the-art results on ScanObjectNN (90.53\%) and further improves to 93.72\% when pretrained on 930k shapes, surpassing prior methods.

Fine-tuning large language models (LLMs) using diverse datasets is crucial for enhancing their overall performance across various domains. In practical scenarios, existing methods based on modeling the mixture proportions of data composition often struggle with data whose domain labels are missing, imprecise or non-normalized, while methods based on data selection usually encounter difficulties in balancing multi-domain performance. To address these challenges, in this work, we investigate the role of data diversity in enhancing the overall abilities of LLMs by empirically constructing contrastive data pools and theoretically deriving explanations. Building upon the insights gained, we propose a new method that gives the LLM a dual identity: an output model to cognitively probe and select data based on diversity reward, as well as an input model to be tuned with the selected data. Extensive experiments show that the proposed method notably boosts performance across domain-undetermined data and a series of foundational downstream tasks when applied to various advanced LLMs. We release our code and hope this study can shed light on the understanding of data diversity and advance feedback-driven data-model co-design for LLMs.

We propose efficient methods for solving stochastic simple bilevel optimization problems with convex inner levels, where the goal is to minimize an outer stochastic objective function subject to the solution set of an inner stochastic optimization problem. Existing methods often rely on costly projection or linear optimization oracles over complex sets, limiting their scalability. To overcome this, we propose an iteratively regularized conditional gradient approach that leverages linear optimization oracles exclusively over the base feasible set. Our proposed methods employ a vanishing regularization sequence that progressively emphasizes the inner problem while biasing towards desirable minimal outer objective solutions. In the one-sample stochastic setting and under standard convexity assumptions, we establish non-asymptotic convergence rates of $O(t^{-1/4})$ for both the outer and inner objectives. In the finite-sum setting with a mini-batch scheme, the corresponding rates become $O(t^{-1/2})$. When the outer objective is nonconvex, we prove non-asymptotic convergence rates of $O(t^{-1/7})$ for both the outer and inner objectives in the one-sample stochastic setting, and $O(t^{-1/4})$ in the finite-sum setting. Experimental results on over-parametrized regression and dictionary learning tasks demonstrate the practical advantages of our approach over existing methods, confirming our theoretical findings.

Graph incremental learning (GIL), which continuously updates graph models by sequential knowledge acquisition, has garnered significant interest recently. However, existing GIL approaches focus on task-incremental and class-incremental scenarios within a single domain. Graph domain-incremental learning (Domain-IL), aiming at updating models across multiple graph domains, has become critical with the development of graph foundation models (GFMs), but remains unexplored in the literature. In this paper, we propose **Graph** Domain-Incremental Learning via **K**nowledge Dis**e**ntangl**e**ment and **P**res**er**vation (**GraphKeeper**), to address catastrophic forgetting in Domain-IL scenario from the perspectives of embedding shifts and decision boundary deviations. Specifically, to prevent embedding shifts and confusion across incremental graph domains, we first propose the domain-specific parameter-efficient fine-tuning together with intra- and inter-domain disentanglement objectives. Consequently, to maintain a stable decision boundary, we introduce deviation-free knowledge preservation to continuously fit incremental domains. Additionally, for graphs with unobservable domains, we perform domain-aware distribution discrimination to obtain precise embeddings. Extensive experiments demonstrate the proposed GraphKeeper achieves state-of-the-art results with 6.5%\~16.6% improvement over the runner-up with negligible forgetting. Moreover, we show GraphKeeper can be seamlessly integrated with various representative GFMs, highlighting its broad applicative potential.

Scientific embodied agents play a crucial role in modern laboratories by automating complex experimental workflows. Compared to typical household environments, laboratory settings impose significantly higher demands on perception of physical-chemical transformations and long-horizon planning, making them an ideal testbed for advancing embodied intelligence. However, its development has been long hampered by the lack of suitable simulator and benchmarks. In this paper, we address this gap by introducing LabUtopia, a comprehensive simulation and benchmarking suite designed to facilitate the development of generalizable, reasoning-capable embodied agents in laboratory settings. Specifically, it integrates i) LabSim, a high-fidelity simulator supporting multi-physics and chemically meaningful interactions; ii) LabScene, a scalable procedural generator for diverse scientific scenes; and iii) LabBench, a hierarchical benchmark spanning five levels of complexity from atomic actions to long-horizon mobile manipulation. LabUtopia supports 30 distinct tasks and includes more than 200 scene and instrument assets, enabling large-scale training and principled evaluation in high-complexity environments. We demonstrate that LabUtopia offers a powerful platform for advancing the integration of perception, planning, and control in scientific-purpose agents and provides a rigorous testbed for exploring the practical capabilities and generalization limits of embodied intelligence in future research. Project web page: https://rui-li023.github.io/labutopia-site/

The design of biological sequences is essential for engineering functional biomolecules that contribute to advancements in human health and biotechnology. Recent advances in diffusion models, with their generative power and efficient conditional sampling, have made them a promising approach for sequence generation. To enhance model performance on limited data and enable multi-objective design and optimization, reinforcement learning (RL)-based fine-tuning has shown great potential. However, existing post-sampling and fine-tuning methods either lack stability in discrete optimization when avoiding gradients or incur high computational costs when employing gradient-based approaches, creating significant challenges for achieving both control and stability in the tuning process. To address these limitations, we propose GLID$^2$E, a gradient-free RL-based tuning approach for discrete diffusion models. Our method introduces a clipped likelihood constraint to regulate the exploration space and implements reward shaping to better align the generative process with design objectives, ensuring a more stable and efficient tuning process. By integrating these techniques, GLID$^2$E mitigates training instabilities commonly encountered in RL and diffusion-based frameworks, enabling robust optimization even in challenging biological design tasks. In the DNA sequence and protein sequence design systems, GLID$^2$E achieves competitive performance in function-based design while maintaining computational efficiency and a flexible tuning mechanism.

Labeling LiDAR point clouds is notoriously time-and-energy-consuming, which spurs recent unsupervised 3D representation learning methods to alleviate the labeling burden in LiDAR perception via pretrained weights. Existing work focus on either masked auto encoding or contrastive learning on LiDAR point clouds, which neglects the temporal LiDAR sequence that naturally accounts for object motion (and their semantics). Instead, we propose TREND, short for Temporal REndering with Neural fielD, to learn 3D representation via forecasting the future observation in an unsupervised manner. TREND integrates forecasting for 3D pre-training through a Recurrent Embedding scheme to generate 3D embeddings across time and a Temporal LiDAR Neural Field specifically designed for LiDAR modality to represent the 3D scene, with which we compute the loss using differentiable rendering. We evaluate TREND on 3D object detection and LiDAR semantic segmentation tasks on popular datasets, including Once, Waymo, NuScenes, and SemanticKITTI. TREND generally improves from-scratch models across datasets and tasks and brings gains of 1.77\% mAP on Once and 2.11\% mAP on NuScenes, which are up to 400\% more improvement compared to previous SOTA unsupervised 3D pre-training methods. Codes and models will be available.

Existing video generation models excel at producing photo-realistic videos from text or images, but often lack physical plausibility and 3D controllability. To overcome these limitations, we introduce PhysCtrl, a novel framework for physics-grounded image-to-video generation with physical parameters and force control. At its core is a generative physics network that learns the distribution of physical dynamics across four materials (elastic, sand, plasticine, and rigid) via a diffusion model conditioned on physics parameters and applied forces. We represent physical dynamics as 3D point trajectories and train on a large-scale synthetic dataset of 550K animations generated by physics simulators. We enhance the diffusion model with a novel spatiotemporal attention block that emulates particle interactions and incorporates physics-based constraints during training to enforce physical plausibility. Experiments show that PhysCtrl generates realistic, physics-grounded motion trajectories which, when used to drive image-to-video models, yield high-fidelity, controllable videos that outperform existing methods in both visual quality and physical plausibility. Our code, model and data will be made publicly available upon publication.

Vision-Language models (VLMs) show impressive abilities to answer questions on visual inputs (e.g., counting objects in an image), yet demonstrate higher accuracies when performing an analogous task on text (e.g., counting words in a text). We investigate this accuracy gap by identifying and comparing the circuits---the task-specific computational sub-graphs---in different modalities. We show that while circuits are largely disjoint between modalities, they implement relatively similar functionalities: the differences lie primarily in processing modality-specific data positions (an image or a text sequence). Zooming in on the image data representations, we observe they become aligned with the higher-performing analogous textual representations only towards later layers, too late in processing to effectively influence subsequent positions. To overcome this, we patch the representations of visual data tokens from later layers back into earlier layers. In experiments with multiple tasks and models, this simple intervention closes a third of the performance gap between the modalities, on average. Our analysis sheds light on the multi-modal performance gap in VLMs and suggests a training-free approach for reducing it.

We propose ReinFlow, a simple yet effective online reinforcement learning (RL) framework that fine-tunes a family of flow matching policies for continuous robotic control. Derived from rigorous RL theory, ReinFlow injects learnable noise into a flow policy’s deterministic path, converting the flow into a discrete-time Markov Process for exact and straightforward likelihood computation. This conversion facilitates exploration and ensures training stability, enabling ReinFlow to fine-tune diverse flow model variants stably, including Rectified Flow [34] and Shortcut Models [18], particularly at very few or even one denoising step. We benchmark ReinFlow in representative locomotion and manipulation tasks, including long- horizon planning with visual input and sparse reward. The episode reward of Rectified Flow policies obtained an average net growth of 135.36% after fine-tuning in challenging legged locomotion tasks while saving denoising steps and 82.63% of wall time compared to state-of-the-art diffusion RL fine-tuning method DPPO [42]. The success rate of the Shortcut Model policies in state and visual manipulation tasks achieved an average net increase of 40.34% after fine-tuning with ReinFlow at four or even one denoising step, whose performance is comparable to fine-tuned DDIM policies while saving computation time for an average of 23.20% . Code, model, and checkpoints available on the project website: https://reinflow.github.io/

Current Large Language Models (LLMs) are confronted with overwhelming information volume when comprehending long-form documents. This challenge raises the imperative of a cohesive memory module, which can elevate vanilla LLMs into autonomous reading agents. Despite the emergence of some heuristic approaches, a systematic design principle remains absent. To fill this void, we draw inspiration from Jean Piaget's Constructivist Theory, illuminating three traits of the agentic memory---structured schemata, flexible assimilation, and dynamic accommodation. This blueprint forges a clear path toward a more robust and efficient memory system for LLM-based reading comprehension. To this end, we develop CAM, a prototype implementation of Constructivist Agentic Memory that simultaneously embodies the structurality, flexibility, and dynamicity. At its core, CAM is endowed with an incremental overlapping clustering algorithm for structured memory development, supporting both coherent hierarchical summarization and online batch integration. During inference, CAM adaptively explores the memory structure to activate query-relevant information for contextual response, akin to the human associative process. Compared to existing approaches, our design demonstrates dual advantages in both performance and efficiency across diverse long-text reading comprehension tasks, including question answering, query-based summarization, and claim verification.

Content moderation research has recently made significant advances, but remains limited in serving the majority of the world's languages due to the lack of resources, leaving millions of vulnerable users to online hostility. This work presents a large-scale human-annotated multi-task benchmark dataset for abusive language detection in Tigrinya social media with joint annotations for three tasks: abusiveness, sentiment, and topic classification. The dataset comprises 13,717 YouTube comments annotated by nine native speakers, collected from 7,373 videos with a total of over 1.2 billion views across 51 channels. We developed an iterative term clustering approach for effective data selection. Recognizing that around 64% of Tigrinya social media content uses Romanized transliterations rather than native Ge'ez script, our dataset accommodates both writing systems to reflect actual language use. We establish strong baselines across the tasks in the benchmark, while leaving significant challenges for future contributions. Our experiments demonstrate that small fine-tuned models outperform prompted frontier large language models (LLMs) in the low-resource setting, achieving 86.67% F1 in abusiveness detection (7+ points over best LLM), and maintain stronger performance in all other tasks. The benchmark is made public to promote research on online safety.

Large language models (LLMs) excel in various capabilities but pose safety risks such as generating harmful content and misinformation, even after safety alignment. In this paper, we explore the inner mechanisms of safety alignment through the lens of mechanistic interpretability, focusing on identifying and analyzing safety neurons within LLMs that are responsible for safety behaviors. We propose inference-time activation contrasting to locate these neurons and dynamic activation patching to evaluate their causal effects on model safety. Experiments on multiple prevalent LLMs demonstrate that we can consistently identify about 5% safety neurons, and by only patching their activations we can restore over 90% of the safety performance across various red-teaming benchmarks without influencing general ability. The finding of safety neurons also helps explain the ''alignment tax'' phenomenon by revealing that the key neurons for model safety and helpfulness significantly overlap, yet they require different activation patterns for the same neurons. Furthermore, we demonstrate an application of our findings in safeguarding LLMs by detecting unsafe outputs before generation.

Existing visual token pruning methods target prompt alignment and visual preservation with static strategies, overlooking the varying relative importance of these objectives across tasks, which leads to inconsistent performance. To address this, we derive the first closed-form error bound for visual token pruning based on the Hausdorff distance, uniformly characterizing the contributions of both objectives. Moreover, leveraging $\epsilon$-covering theory, we reveal an intrinsic trade-off between these objectives and quantify their optimal attainment levels under a fixed budget. To practically handle this trade-off, we propose Multi-Objective Balanced Covering (MoB), which reformulates visual token pruning as a bi-objective covering problem. In this framework, the attainment trade-off reduces to budget allocation via greedy radius trading. MoB offers a provable performance bound and linear scalability with respect to the number of input visual tokens, enabling adaptation to challenging pruning scenarios. Extensive experiments show that MoB preserves 96.4\% of performance for LLaVA-1.5-7B using only 11.1\% of the original visual tokens and accelerates LLaVA-Next-7B by 1.3-1.5$\times$ with negligible performance loss. Additionally, evaluations on Qwen2-VL and Video-LLaVA confirm that MoB integrates seamlessly into advanced MLLMs and diverse vision-language tasks. The code will be made available soon.

Precise, generalizable subject-agnostic seizure prediction (SASP) remains a fundamental challenge due to the intrinsic complexity and significant spectral variability of electrophysiologial signals across individuals and recording modalities. We propose \model{FAPEX}, a novel architecture that introduces a learnable \emph{fractional neural frame operator} (FrNFO) for adaptive time–frequency decomposition. Unlike conventional models that exhibit spectral bias toward low frequencies, our FrNFO employs fractional-order convolutions to capture both high and low-frequency dynamics, achieving approximately $10\%$ improvement in F1-score and sensitivity over state-of-the-art baselines. The FrNFO enables the extraction of \emph{instantaneous phase and amplitude representations} that are particularly informative for preictal biomarker discovery and enhance out-of-distribution generalization. \model{FAPEX} further integrates structural state-space modeling and channelwise attention, allowing it to handle heterogeneous electrode montages. Evaluated across 12 benchmarks spanning species (human, rat, dog, macaque) and modalities (Scalp‑EEG, SEEG, ECoG, LFP), \model{FAPEX} consistently outperforms 23 supervised and 10 self-supervised baselines under nested cross-validation, with gains of up to $15\%$ in sensitivity on complex cross-domain scenarios. It further demonstrates superior performance in several external validation cohorts. To our knowledge, these establish \model{FAPEX} as the first epilepsy model to show consistent superiority in SASP, offering a promising solution for discovering epileptic biomarker evidence supporting the existence of a distinct and identifiable preictal state for and clinical translation.

Accurate spatial reasoning in outdoor environments—covering geometry, object pose, and inter-object relationships—is fundamental to downstream tasks such as mapping, motion forecasting, and high-level planning in autonomous driving. We introduce SURDS, a large-scale benchmark designed to systematically evaluate the spatial reasoning capabilities of vision language models (VLMs). Built on the nuScenes dataset, SURDS comprises 41,080 vision–question–answer training instances and 9,250 evaluation samples, spanning six spatial categories: orientation, depth estimation, pixel-level localization, pairwise distance, lateral ordering, and front–behind relations. We benchmark leading general-purpose VLMs, including GPT, Gemini, and Qwen, revealing persistent limitations in fine-grained spatial understanding. To address these deficiencies, we go beyond static evaluation and explore whether alignment techniques can improve spatial reasoning performance. Specifically, we propose a reinforcement learning–based alignment scheme leveraging spatially grounded reward signals—capturing both perception-level accuracy (location) and reasoning consistency (logic). We further incorporate final-answer correctness and output-format rewards to guide fine-grained policy adaptation. Our GRPO-aligned variant achieves overall score of 40.80 in SURDS benchmark. Notably, it outperforms proprietary systems such as GPT-4o (13.30) and Gemini-2.0-flash (35.71). To our best knowledge, this is the first study to demonstrate that reinforcement learning–based alignment can significantly and consistently enhance the spatial reasoning capabilities of VLMs in real-world driving contexts. We release the SURDS benchmark, evaluation toolkit, and GRPO alignment code through: https://github.com/XiandaGuo/Drive-MLLM.

Decentralized federated learning (DFL) enables clients (e.g., hospitals and banks) to jointly train machine learning models without a central orchestration server. In each global training round, each client trains a local model on its own training data and then they exchange local models for aggregation. In this work, we propose SelfishAttack, a new family of attacks to DFL. In SelfishAttack, a set of selfish clients aim to achieve competitive advantages over the remaining non-selfish ones, i.e., the final learnt local models of the selfish clients are more accurate than those of the non-selfish ones. Towards this goal, the selfish clients send carefully crafted local models to each remaining non-selfish one in each global training round. We formulate finding such local models as an optimization problem and propose methods to solve it when DFL uses different aggregation rules. Theoretically, we show that our methods find the optimal solutions to the optimization problem. Empirically, we show that SelfishAttack successfully increases the accuracy gap (i.e., competitive advantage) between the final learnt local models of selfish clients and those of non-selfish ones. Moreover, SelfishAttack achieves larger accuracy gaps than poisoning attacks when extended to increase competitive advantages.

Online reinforcement learning (RL) with complex function approximations such as transformers and deep neural networks plays a significant role in the modern practice of artificial intelligence. Despite its popularity and importance, balancing the fundamental trade-off between exploration and exploitation remains a long-standing challenge; in particular, we are still in lack of efficient and practical schemes that are backed by theoretical performance guarantees. Motivated by recent developments in exploration via optimistic regularization, this paper provides an interpretation of the principle of optimism through the lens of primal-dual optimization. From this fresh perspective, we set forth a new value-incentivized actor-critic (VAC) method, which optimizes a single easy-to-optimize objective integrating exploration and exploitation --- it promotes state-action and policy estimates that are both consistent with collected data transitions and result in higher value functions. Theoretically, the proposed VAC method has near-optimal regret guarantees under linear Markov decision processes (MDPs) in both finite-horizon and infinite-horizon settings, which can be extended to the general function approximation setting under appropriate assumptions.

In single-cell perturbation prediction, a central task is to forecast the effects of perturbing a gene unseen in the training data. The efficacy of such predictions depends on two factors: (1) the similarity of the target gene to those covered in the training data, which informs model (epistemic) uncertainty, and (2) the quality of the corresponding training data, which reflects data (aleatoric) uncertainty. Both factors are critical for determining the reliability of a prediction, particularly as gene perturbation is an inherently stochastic biochemical process. In this paper, we propose PRESCRIBE (PREdicting Single-Cell Response wIth Bayesian Estimation), a multivariate deep evidential regression framework designed to measure both sources of uncertainty jointly. Our analysis demonstrates that PRESCRIBE effectively estimates a confidence score for each prediction, which strongly correlates with its empirical accuracy. This capability enables the filtering of untrustworthy results, and in our experiments, it achieves steady accuracy improvements of over 3% compared to comparable baselines.