NeurIPS 2025 论文列表

Lifelong knowledge editing enables continuous, precise updates to outdated knowledge in large language models (LLMs) without computationally expensive full retraining. However, existing methods often accumulate errors throughout the editing process, causing a gradual decline in both editing accuracy and generalization. To tackle this problem, we propose Neuron-Specific Masked Knowledge Editing (NMKE), a novel fine-grained editing framework that combines neuron-level attribution with dynamic sparse masking. Leveraging neuron functional attribution, we identify two key types of knowledge neurons, with knowledge-general neurons activating consistently across prompts and knowledge-specific neurons activating to specific prompts. NMKE further introduces an entropy-guided dynamic sparse mask, locating relevant neurons to the target knowledge. This strategy enables precise neuron-level knowledge editing with fewer parameter modifications. Experimental results from thousands of sequential edits demonstrate that NMKE outperforms existing methods in maintaining high editing success rates and preserving model general capabilities in lifelong editing.

Recent studies in *Machine Learning* (ML) for biological research focus on investigating molecular properties to accelerate drug discovery. However, limited labeled molecular data often hampers the performance of ML models. A common strategy to mitigate data scarcity is leveraging auxiliary learning tasks to provide additional supervision, but selecting effective auxiliary tasks requires substantial domain expertise and manual effort, and their inclusion does not always guarantee performance gains. To overcome these challenges, we introduce *Automatic Auxiliary Task Selection* (AutAuT), a fully automated framework that seamlessly retrieves auxiliary tasks using large language models and adaptively integrates them through a novel *gradient alignment* weighting mechanism. By automatically emphasizing auxiliary tasks aligned with the primary objective, AutAuT significantly enhances predictive accuracy while reducing negative impacts from irrelevant tasks. Extensive evaluations demonstrate that AutAuT outperforms *10* auxiliary task-based approaches and *18* advanced molecular property prediction models.

We address the problem of safe policy learning in multi-agent safety-critical autonomous systems. In such systems, it is necessary for each agent to meet the safety requirements at all times while also cooperating with other agents to accomplish the task. Toward this end, we propose a safe Hierarchical Multi-Agent Reinforcement Learning (HMARL) approach based on Control Barrier Functions (CBFs). Our proposed hierarchical approach decomposes the overall reinforcement learning problem into two levels –- learning joint cooperative behavior at the higher level and learning safe individual behavior at the lower or agent level conditioned on the high-level policy. Specifically, we propose a skill-based HMARL-CBF algorithm in which the higher-level problem involves learning a joint policy over the skills for all the agents and the lower-level problem involves learning policies to execute the skills safely with CBFs. We validate our approach on challenging environment scenarios whereby a large number of agents have to safely navigate through conflicting road networks. Compared with existing state-of-the-art methods, our approach significantly improves the safety achieving near perfect (within $5\%$) success/safety rate while also improving performance across all the environments.

We present PhysDiff-VTON, a diffusion-based framework for image-based virtual try-on that systematically addresses the dual challenges of garment deformation modeling and high-frequency detail preservation. The core innovation lies in integrating physics-inspired mechanisms into the diffusion process: a pose-guided deformable warping module simulates fabric dynamics by predicting spatial offsets conditioned on human pose semantics, while wavelet-enhanced feature decomposition explicitly preserves texture fidelity through frequency-aware attention. Further enhancing generation quality, a novel sampling strategy optimizes the denoising trajectory via least action principles, enforcing temporal coherence, spatial smoothness, and multi-scale structural consistency. Comprehensive evaluations across multiple datasets demonstrate significant improvements in both geometric plausibility and perceptual quality compared to existing approaches. The framework establishes a new paradigm for synthesizing photorealistic try-on images that adhere to physical constraints while maintaining intricate garment details, advancing the practical applicability of diffusion models in fashion technology.

Text-to-image models have recently made significant advances in generating realistic and semantically coherent images, driven by advanced diffusion models and large-scale web-crawled datasets. However, these datasets often contain inappropriate or biased content, raising concerns about the generation of harmful outputs when provided with malicious text prompts. We propose Safe Text embedding Guidance (STG), a training-free approach to improve the safety of diffusion models by guiding the text embeddings during sampling. STG adjusts the text embeddings based on a safety function evaluated on the expected final denoised image, allowing the model to generate safer outputs without additional training. Theoretically, we show that STG aligns the underlying model distribution with safety constraints, thereby achieving safer outputs while minimally affecting generation quality. Experiments on various safety scenarios, including nudity, violence, and artist-style removal, show that STG consistently outperforms both training-based and training-free baselines in removing unsafe content while preserving the core semantic intent of input prompts. Our code is available at https://github.com/aailab-kaist/STG.

Due to its powerful capability of self-supervised representation learning and clustering, contrastive attributed graph clustering (CAGC) has achieved great success, which mainly depends on effective data augmentation and contrastive objective setting. However, most CAGC methods utilize edges as auxiliary information to obtain node-level embedding representation and only focus on node-level embedding augmentation. This approach overlooks edge-level embedding augmentation and the interactions between node-level and edge-level embedding augmentations across various granularity. Moreover, they often treat all contrastive sample pairs equally, neglecting the significant differences between hard and easy positive-negative sample pairs, which ultimately limits their discriminative capability. To tackle these issues, a novel robust attributed graph clustering (RAGC), incorporating hybrid-collaborative augmentation (HCA) and contrastive sample adaptive-differential awareness (CSADA), is proposed. First, node-level and edge-level embedding representations and augmentations are simultaneously executed to establish a more comprehensive similarity measurement criterion for subsequent contrastive learning. In turn, the discriminative similarity further consciously guides edge augmentation. Second, by leveraging pseudo-label information with high confidence, a CSADA strategy is elaborately designed, which adaptively identifies all contrastive sample pairs and differentially treats them by an innovative weight modulation function. The HCA and CSADA modules mutually reinforce each other in a beneficent cycle, thereby enhancing discriminability in representation learning. Comprehensive graph clustering evaluations over six benchmark datasets demonstrate the effectiveness of the proposed RAGC against several state-of-the-art CAGC methods. The code of RAGC could be available at https://github.com/TianxiangZhao0474/RAGC.git.

The increasing capabilities of Large Language Models (LLMs) have raised concerns about their misuse in AI-generated plagiarism and social engineering. While various AI-generated text detectors have been proposed to mitigate these risks, many remain vulnerable to simple evasion techniques such as paraphrasing. However, recent detectors have shown greater robustness against such basic attacks. In this work, we introduce \textbf{Adversarial Paraphrasing}, a training-free attack framework that universally humanizes any AI-generated text to evade detection more effectively. Our approach leverages an off-the-shelf instruction-following LLM to paraphrase AI-generated content under the guidance of an AI text detector, producing adversarial examples that are specifically optimized to bypass detection. Extensive experiments show that our attack is both broadly effective and highly transferable across several detection systems. For instance, compared to simple paraphrasing attack—which, ironically, increases the true positive at 1\% false positive (T@1\%F) by 8.57\% on RADAR and 15.03\% on Fast-DetectGPT—adversarial paraphrasing, guided by OpenAI-RoBERTa-Large, reduces T@1\%F by 64.49\% on RADAR and a striking 98.96\% on Fast-DetectGPT. Across a diverse set of detectors—including neural network-based, watermark-based, and zero-shot approaches—our attack achieves an average T@1\%F reduction of 87.88\% under the guidance of OpenAI-RoBERTa-Large. We also analyze the tradeoff between text quality and our attack success to find that our method can significantly reduce detection rates, with mostly a slight degradation in text quality. Our novel adversarial setup highlights the need for more robust and resilient detection strategies in the light of increasingly sophisticated evasion techniques.

In cloud-scale systems, failures are the norm. A distributed computing cluster exhibits hundreds of machine failures and thousands of disk failures; software bugs and misconfigurations are reported to be more frequent. The demand for autonomous, AI-driven reliability engineering continues to grow, as existing human-in-the-loop practices can hardly keep up with the scale of modern clouds. This paper presents STRATUS, an LLM-based multi-agent system for realizing autonomous Site Reliability Engineering (SRE) of cloud services. STRATUS consists of multiple specialized agents (e.g., for failure detection, diagnosis, mitigation), organized in a state machine to assist system-level safety reasoning and enforcement. We formalize a key safety specification of agentic SRE systems like STRATUS, termed Transactional No-Regression (TNR), which enables safe exploration and iteration. We show that TNR can effectively improve autonomous failure mitigation. STRATUS significantly outperforms state-of-the-art SRE agents in terms of success rate of failure mitigation problems in AIOpsLab and ITBench (two SRE benchmark suites), by at least 1.5 times across various models. STRATUS shows a promising path toward practical deployment of agentic systems for cloud reliability.

Decoding visual experiences from fMRI offers a powerful avenue to understand human perception and develop advanced brain-computer interfaces. However, current progress often prioritizes maximizing reconstruction fidelity while overlooking interpretability, an essential aspect for deriving neuroscientific insight. To address this gap, we propose MoRE-Brain, a neuro-inspired framework designed for high-fidelity, adaptable, and interpretable visual reconstruction. MoRE-Brain uniquely employs a hierarchical Mixture-of-Experts architecture where distinct experts process fMRI signals from functionally related voxel groups, mimicking specialized brain networks. The experts are first trained to encode fMRI into the frozen CLIP space. A finetuned diffusion model then synthesizes images, guided by expert outputs through a novel dual-stage routing mechanism that dynamically weighs expert contributions across the diffusion process. MoRE-Brain offers three main advancements: First, it introduces a novel Mixture-of-Experts architecture grounded in brain network principles for neuro-decoding. Second, it achieves efficient cross-subject generalization by sharing core expert networks while adapting only subject-specific routers. Third, it provides enhanced mechanistic insight, as the explicit routing reveals precisely how different modeled brain regions shape the semantic and spatial attributes of the reconstructed image. Extensive experiments validate MoRE-Brain’s high reconstruction fidelity, with bottleneck analyses further demonstrating its effective utilization of fMRI signals, distinguishing genuine neural decoding from over-reliance on generative priors. Consequently, MoRE-Brain marks a substantial advance towards more generalizable and interpretable fMRI-based visual decoding.

The field of embodied AI (EAI) is rapidly advancing. Unlike virtual AI, EAI systems can exist in, learn from, reason about, and act in the physical world. With recent advances in AI and hardware research and design, EAI systems are becoming increasingly capable across an expanding set of operational domains. While EAI systems can offer many benefits, they also pose significant short- and long-term risks, including physical harm, surveillance, and societal disruption. These risks require urgent attention from policymakers, as existing policies for industrial robots and autonomous vehicles are insufficient to manage the full range of concerns EAI systems present. To address this issue, this paper makes three contributions. First, we provide a taxonomy of the physical, informational, economic, and social risks EAI systems pose. Second, we analyze policies in the US, UK, and EU to assess how existing frameworks address these risks and to identify critical gaps. We conclude by offering policy recommendations for the safe and beneficial deployment of EAI systems, such as mandatory testing and certification schemes, clarified liability frameworks, and strategies to manage EAI’s potentially transformative economic and societal impacts.

Offline reinforcement learning (offline RL) is increasingly approached as a sequence modeling task, with methods leveraging advanced architectures like Transformers to capture trajectory dependencies. Despite significant progress, the mechanisms underlying their effectiveness and limitations remain insufficiently understood. We conduct a thorough analysis on the representative Decision Transformer (DT) model using an entropy analysis and identify the inconsistencies in state-action-reward ($\langle s, a, R \rangle$) distributions causing attention ``dispersal". To address this, we propose a hierarchical framework that decomposes sequence modeling into intra-step relational modeling—handled by a Token Merger that fuses each $\langle s, a, R \rangle$ triplet—and inter-step modeling—handled by a Token Mixer across timesteps. We investigate several Token Merger designs and validate their effectiveness across various offline RL methods. Furthermore, our theoretical analysis and experimental results suggest that while Token Mixers are important, lightweight architecture can also achieve even better performance to more complex ones. We therefore propose a parameter-free Average Pooling Token Mixer, which, combined with a convolutional Token Merger, forms our final model, Decision HiFormer (DHi). DHi achieves a \textbf{73.6\%} improvement in inference speed and an \textbf{9.3\%} gain in policy performance on the D4RL benchmark compared to DT. DHi also generalizes well to real-world robotic manipulation tasks, offering both practical benefits and insights into sequence-based policy design for offline RL. Code and models are public at \href{https://wei-nijuan.github.io/DecisionHiFormer/}{project page}.

The core task of recommender systems is to learn user preferences from historical user-item interactions. With the rapid development of large language models (LLMs), recent research has explored leveraging the reasoning capabilities of LLMs to enhance rating prediction tasks. However, existing distillation-based methods suffer from limitations such as the teacher model's insufficient recommendation capability, costly and static supervision, and superficial transfer of reasoning ability. To address these issues, this paper proposes RecZero, a reinforcement learning (RL)-based recommendation paradigm that abandons the traditional multi-model and multi-stage distillation approach. Instead, RecZero trains a single LLM through pure RL to autonomously develop reasoning capabilities for rating prediction. RecZero consists of two key components: (1) "Think-before-Recommendation" prompt construction, which employs a structured reasoning template to guide the model in step-wise analysis of user interests, item features, and user-item compatibility; and (2) rule-based reward modeling, which adopts group relative policy optimization (GRPO) to compute rewards for reasoning trajectories and optimize the LLM. Additionally, the paper explores a hybrid paradigm, RecOne, which combines supervised fine-tuning with RL, initializing the model with cold-start reasoning samples and further optimizing it with RL. Experimental results demonstrate that RecZero and RecOne significantly outperform existing baseline methods on multiple benchmark datasets, validating the superiority of the RL paradigm in achieving autonomous reasoning-enhanced recommender systems.

Video anomaly detection (VAD) focuses on identifying anomalies in videos. Su- pervised methods demand substantial in-domain training data and fail to deliver clear explanations for anomalies. In contrast, training-free methods leverage the knowledge reserves and language interactivity of large pre-trained models to detect anomalies. However, the current fixed-length temporal window sam- pling approaches struggle to accurately capture anomalies with varying temporal spans. Therefore, we propose VADTree that utilizes a Hierarchical Granularity- aware Tree (HGTree) structure for flexible sampling in VAD. VADTree leverages the knowledge embedded in a pre-trained Generic Event Boundary Detection (GEBD) model to characterize potential anomaly event boundaries. Specifically, VADTree decomposes the video into generic event nodes based on boundary confidence, and performs adaptive coarse-fine hierarchical structuring and re- dundancy removal to construct the HGTree. Then, the multi-dimensional priors are injected into the visual language models (VLMs) to enhance the node-wise anomaly perception, and anomaly reasoning for generic event nodes is achieved via large language models (LLMs). Finally, an inter-cluster node correlation method is used to integrate the multi-granularity anomaly scores. Extensive experiments on three challenging datasets demonstrate that VADTree achieves state-of-the-art performance in training-free settings while drastically reducing the number of sampled video segments. The code will be available at https: //github.com/wenlongli10/VADTree.

Humans learn abstract concepts through multisensory synergy, and once formed, such representations can often be recalled from a single modality. Inspired by this principle, we introduce Concerto, a minimalist simulation of human concept learning for spatial cognition, combining 3D intra-modal self-distillation with 2D-3D cross-modal joint embedding. Despite its simplicity, Concerto learns more coherent and informative spatial features, as demonstrated by zero-shot visualizations. It outperforms both standalone SOTA 2D and 3D self-supervised models by 14.2\% and 4.8\%, respectively, as well as their feature concatenation, in linear probing for 3D scene perception. With full fine-tuning, Concerto sets new SOTA results across multiple scene understanding benchmarks (e.g., 80.7\% mIoU on ScanNet). We further present a variant of Concerto tailored for video-lifted point cloud spatial understanding, and a translator that linearly projects Concerto representations into CLIP’s language space, enabling open-world perception. These results highlight that Concerto emerges spatial representations with superior fine-grained geometric and semantic consistency.

Graph coarsening aims to diminish the size of a graph to lighten its memory footprint, and has numerous applications in graph signal processing and machine learning. It is usually defined using a reduction matrix and a lifting matrix, which, respectively, allows to project a graph signal from the original graph to the coarsened one and back. This results in a loss of information measured by the so-called Restricted Spectral Approximation (RSA). Most coarsening frameworks impose a fixed relationship between the reduction and lifting matrices, generally as pseudo-inverses of each other, and seek to define a coarsening that minimizes the RSA. In this paper, we remark that the roles of these two matrices are not entirely symmetric: indeed, putting constraints on the *lifting matrix alone* ensures the existence of important objects such as the coarsened graph's adjacency matrix or Laplacian. In light of this, in this paper, we introduce a more general notion of reduction matrix, that is *not* necessarily the pseudo-inverse of the lifting matrix. We establish a taxonomy of ``admissible'' families of reduction matrices, discuss the different properties that they must satisfy and whether they admit a closed-form description or not. We show that, for a *fixed* coarsening represented by a fixed lifting matrix, the RSA can be *further* reduced simply by modifying the reduction matrix. We explore different examples, including some based on a constrained optimization process of the RSA. Since this criterion has also been linked to the performance of Graph Neural Networks, we also illustrate the impact of this choices on different node classification tasks on coarsened graphs.

Modern Parameter-Efficient Fine-Tuning (PEFT) methods such as low-rank adaptation (LoRA) reduce the cost of customizing large language models (LLMs), yet still require a separate optimization run for every downstream dataset. We introduce \textbf{Drag-and-Drop LLMs (\textit{DnD})}, a prompt-conditioned parameter generator that eliminates per-task training by mapping a handful of unlabeled task prompts directly to LoRA weight updates. A lightweight text encoder distills each prompt batch into condition embeddings, which are then transformed by a cascaded hyper-convolutional decoder into the full set of LoRA matrices. Once trained in a diverse collection of prompt-checkpoint pairs, DnD produces task-specific parameters in seconds, yielding i) up to \textbf{12,000$\times$} lower overhead than full fine-tuning, ii) average gains up to \textbf{30\%} in performance over the strongest training LoRAs on unseen common-sense reasoning, math, coding, and multimodal benchmarks, and iii) robust cross-domain generalization improving \textbf{40\%} performance without access to the target data or labels. Our results demonstrate that prompt-conditioned parameter generation is a viable alternative to gradient-based adaptation for rapidly specializing LLMs. We open source \href{https://jerryliang24.github.io/DnD}{our project} in support of future research.

Accurate network estimation serves as the cornerstone for understanding complex systems across scientific domains, from decoding gene regulatory networks in systems biology to identifying social relationship patterns in computational sociology. Modern applications demand methods that simultaneously address two critical challenges: capturing nonlinear dependencies between variables and reconstructing inherent hierarchical structures where higher-level entities coordinate lower-level components (e.g., functional pathways organizing gene clusters). Traditional Gaussian graphical models fundamentally fail in these aspects due to their restrictive linear assumptions and flat network representations. We propose NNBLNet, a neural network-based learning framework for bi-level network inference. The core innovation lies in hierarchical selection layers that enforce structural consistency between high-level coordinator groups and their constituent low-level connections via adaptive sparsity constraints. This architecture is integrated with a compositional neural network architecture that learn cross-level association patterns through constrained nonlinear transformations, explicitly preserving hierarchical dependencies while overcoming the representational limitations of linear methods. Crucially, we establish formal theoretical guarantees for the consistent recovery of both high-level connections and their internal low-level structures under general statistical regimes. Extensive validation demonstrates NNBLNet's effectiveness across synthetic and real-world scenarios, achieving superior F1 scores compared to competitive methods and particularly beneficial for complex systems analysis through its interpretable bi-level structure discovery.

In this paper, we propose a novel optimizer state compression algorithm, namely \textbf{$\pi$-Quant}, which leverages the properties of irrational numbers (\eg $\pi$) for memory-efficient training. The core idea is based on our mathematical findings, which show that a pair of parameters can be represented by a single rotation angle using the complex rotation scheme. Building on this insight, we map the parameters into a complex space and perform quantization using the corresponding rotation angles. To efficiently integrate it into optimization process, we develop an efficient system of geometric equations that computes the precise rotation angles with linear complexity. We evaluate $\pi$-Quant on a wide range of tasks. Our experiments show that it can reduce the bit-width of parameters to 3.32-bit, achieving a 41.8\% decrease in GPU memory usage, all while maintaining full accuracy. \textcolor{blue}{We have submitted the code in supplementary materials}.

Simplicial complexes provide a powerful framework for modeling higher-order interactions in structured data, making them particularly suitable for applications such as trajectory prediction and mesh processing. However, existing simplicial neural networks (SNNs), whether convolutional or attention-based, rely primarily on discrete filtering techniques, which can be restrictive. In contrast, partial differential equations (PDEs) on simplicial complexes offer a principled approach to capture continuous dynamics in such structures. In this work, we introduce continuous simplicial neural network (COSIMO), a novel SNN architecture derived from PDEs on simplicial complexes. We provide theoretical and experimental justifications of COSIMO's stability under simplicial perturbations. Furthermore, we investigate the over-smoothing phenomenon—a common issue in geometric deep learning—demonstrating that COSIMO offers better control over this effect than discrete SNNs. Our experiments on real-world datasets demonstrate that COSIMO achieves competitive performance compared to state-of-the-art SNNs in complex and noisy environments. The implementation codes are available in https://github.com/ArefEinizade2/COSIMO.