OpenRaiser/Intern-Atlas huggingface dataset:
Measuring and Guiding Monosemanticity
Venue: Conference NeurIPS 2025
Year: 2025

There is growing interest in leveraging mechanistic interpretability and controllability to better understand and influence the internal dynamics of large language models (LLMs). However, current methods face fundamental challenges in reliably localizing and manipulating feature representations. Sparse Autoencoders (SAEs) have recently emerged as a promising direction for feature extraction at scale, yet they, too, are limited by incomplete feature isolation and unreliable monosemanticity. To systematically quantify these limitations, we introduce Feature Monosemanticity Score (FMS), a novel metric to quantify feature monosemanticity in latent representation. Building on these insights, we propose Guided Sparse Autoencoders (G-SAE), a method that conditions latent representations on labeled concepts during training. We demonstrate that reliable localization and disentanglement of target concepts within the latent space improve interpretability, detection of behavior, and control. Specifically, our evaluations on toxicity detection, writing style identification, and privacy attribute recognition show that G-SAE not only enhances monosemanticity but also enables more effective and fine-grained steering with less quality degradation. Our findings provide actionable guidelines for measuring and advancing mechanistic interpretability and control of LLMs.
Efficient Large Language Model Inference with Neural Block Linearization
Venue: Conference NeurIPS 2025
Year: 2025

The high inference demands of transformer-based Large Language Models (LLMs) pose substantial challenges in their deployment. To this end, we introduce Neural Block Linearization (NBL), a novel framework for accelerating transformer model inference by replacing self-attention layers with linear approximations derived from Linear Minimum Mean Squared Error estimators. NBL leverages Canonical Correlation Analysis to compute a theoretical upper bound on the approximation error. Then, we use this bound as a criterion for substitution, selecting the LLM layers with the lowest linearization error. NBL can be efficiently applied to pre-trained LLMs without the need for fine-tuning. In experiments, NBL achieves notable computational speed-ups while preserving competitive accuracy on multiple reasoning benchmarks. For instance, applying NBL to 12 self-attention layers in DeepSeek-R1-Distill-Llama-8B increases the inference speed by 32% with less than 1% accuracy trade-off, making it a flexible and promising solution to improve the inference efficiency of LLMs. The implementation is available at: https://github.com/LIONS-EPFL/NBL.
Effective Policy Learning for Multi-Agent Online Coordination Beyond Submodular Objectives
Venue: Conference NeurIPS 2025
Year: 2025

In this paper, we present two effective policy learning algorithms for multi-agent online coordination(MA-OC) problem. The first one, \texttt{MA-SPL}, not only can achieve the optimal $(1-\frac{c}{e})$-approximation guarantee for the MA-OC problem with submodular objectives but also can handle the unexplored $α$-weakly DR-submodular and $(γ,β)$-weakly submodular scenarios, where $c$ is the curvature of the investigated submodular functions, $α$ denotes the diminishing-return(DR) ratio and the tuple $(γ,β)$ represents the submodularity ratios. Subsequently, in order to reduce the reliance on the unknown parameters $α,γ,β$ inherent in the \texttt{MA-SPL} algorithm, we further introduce the second online algorithm named \texttt{MA-MPL}. This \texttt{MA-MPL} algorithm is entirely \emph{parameter-free} and simultaneously can maintain the same approximation ratio as the first \texttt{MA-SPL} algorithm. The core of our \texttt{MA-SPL} and \texttt{MA-MPL} algorithms is a novel continuous-relaxation technique termed as \emph{policy-based continuous extension}. Compared with the well-established \emph{multi-linear extension}, a notable advantage of this new \emph{policy-based continuous extension} is its ability to provide a lossless rounding scheme for any set function, thereby enabling us to tackle the challenging weakly submodular objectives. Finally, extensive simulations are conducted to validate the effectiveness of our proposed algorithms.
Exploring Data Scaling Trends and Effects in Reinforcement Learning from Human Feedback
Venue: Conference NeurIPS 2025
Year: 2025

Reinforcement Learning from Human Feedback (RLHF) is crucial for aligning large language models with human preferences. While recent research has focused on algorithmic improvements, the importance of prompt-data construction has been overlooked. This paper addresses this gap by exploring data-driven bottlenecks in RLHF performance scaling, particularly reward hacking and decreasing response diversity. We introduce a hybrid reward system combining reasoning task verifiers (RTV) and a generative reward model (GenRM) to mitigate reward hacking. We also propose a novel prompt-selection method, Pre-PPO, to maintain response diversity and enhance learning effectiveness. Additionally, we find that prioritizing mathematical and coding tasks early in RLHF training significantly improves performance. Experiments across two model sizes validate our methods' effectiveness and scalability. Results show that RTV is most resistant to reward hacking, followed by GenRM with ground truth, and then GenRM with SFT Best-of-N responses. Our strategies enable rapid capture of subtle task-specific distinctions, leading to substantial improvements in overall RLHF performance. This work highlights the importance of careful data construction and provides practical methods to overcome performance barriers in RLHF.
Learning Human-Like RL Agents Through Trajectory Optimization With Action Quantization
Venue: Conference NeurIPS 2025
Year: 2025

Human-like agents have long been one of the goals in pursuing artificial intelligence. Although reinforcement learning (RL) has achieved superhuman performance in many domains, relatively little attention has been focused on designing human-like RL agents. As a result, many reward-driven RL agents often exhibit unnatural behaviors compared to humans, raising concerns for both interpretability and trustworthiness. To achieve human-like behavior in RL, this paper first formulates human-likeness as trajectory optimization, where the objective is to find an action sequence that closely aligns with human behavior while also maximizing rewards, and adapts the classic receding-horizon control to human-like learning as a tractable and efficient implementation. To achieve this, we introduce Macro Action Quantization (MAQ), a human-like RL framework that distills human demonstrations into macro actions via Vector-Quantized VAE. Experiments on D4RL Adroit benchmarks show that MAQ significantly improves human-likeness, increasing trajectory similarity scores, and achieving the highest human-likeness rankings among all RL agents in the human evaluation study. Our results also demonstrate that MAQ can be easily integrated into various off-the-shelf RL algorithms, opening a promising direction for learning human-like RL agents. Our code is available at https://rlg.iis.sinica.edu.tw/papers/MAQ.
Beyond the 80/20 Rule: High-Entropy Minority Tokens Drive Effective Reinforcement Learning for LLM Reasoning
Venue: Conference NeurIPS 2025
Year: 2025

Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a powerful approach to enhancing the reasoning capabilities of Large Language Models (LLMs), while its mechanisms are not yet well understood. In this work, we undertake a pioneering exploration of RLVR through the novel perspective of token entropy patterns, comprehensively analyzing how different tokens influence reasoning performance. By examining token entropy patterns in Chain-of-Thought (CoT) reasoning, we observe that only a small fraction of tokens exhibit high entropy, and these tokens act as critical forks that steer the model toward diverse reasoning pathways. Furthermore, studying how entropy patterns evolve during RLVR training reveals that RLVR largely adheres to the base model's entropy patterns, primarily adjusting the entropy of high-entropy tokens. These findings highlight the significance of high-entropy tokens (i.e., forking tokens) to RLVR. We ultimately improve RLVR by restricting policy gradient updates to forking tokens and uncover a finding even beyond the 80/20 rule: utilizing only 20% of the tokens while maintaining performance comparable to full-gradient updates on the Qwen3-8B base model and significantly surpassing full-gradient updates on the Qwen3-32B (+11.04 on AIME'25 and +7.71 on AIME'24) and Qwen3-14B (+4.79 on AIME'25 and +5.21 on AIME'24) base models, highlighting a strong scaling trend. In contrast, training exclusively on the 80% lowest-entropy tokens leads to a marked decline in performance. These findings indicate that the efficacy of RLVR primarily arises from optimizing the high-entropy tokens that decide reasoning directions. Collectively, our results highlight the potential to understand RLVR through a token-entropy perspective and optimize RLVR by leveraging high-entropy minority tokens to further improve LLM reasoning.
Understanding Generalization in Physics Informed Models through Affine Variety Dimensions
Venue: Conference NeurIPS 2025
Year: 2025

Physics-informed machine learning is gaining significant traction for enhancing statistical performance and sample efficiency through the integration of physical knowledge. However, current theoretical analyses often presume complete prior knowledge in non-hybrid settings, overlooking the crucial integration of observational data, and are frequently limited to linear systems, unlike the prevalent nonlinear nature of many real-world applications. To address these limitations, we introduce a unified residual form that unifies collocation and variational methods, enabling the incorporation of incomplete and complex physical constraints in hybrid learning settings. Within this formulation, we establish that the generalization performance of physics-informed regression in such hybrid settings is governed by the dimension of the affine variety associated with the physical constraint, rather than by the number of parameters. This enables a unified analysis that is applicable to both linear and nonlinear equations. We also present a method to approximate this dimension and provide experimental validation of our theoretical findings.
Neural Green’s Functions
Venue: Conference NeurIPS 2025
Year: 2025

We introduce Neural Green's Function, a neural solution operator for linear partial differential equations (PDEs) whose differential operators admit eigendecompositions. Inspired by Green's functions, the solution operators of linear PDEs that depend exclusively on the domain geometry, we design Neural Green's Function to imitate their behavior, achieving superior generalization across diverse irregular geometries and source and boundary functions. Specifically, Neural Green's Function extracts per-point features from a volumetric point cloud representing the problem domain and uses them to predict a decomposition of the solution operator, which is subsequently applied to evaluate solutions via numerical integration. Unlike recent learning-based solution operators, which often struggle to generalize to unseen source or boundary functions, our framework is, by design, agnostic to the specific functions used during training, enabling robust and efficient generalization. In the steady-state thermal analysis of mechanical part geometries from the MCB dataset, Neural Green's Function outperforms state-of-the-art neural operators, achieving an average error reduction of 13.9\% across five shape categories, while being up to 350 times faster than a numerical solver that requires computationally expensive meshing.
One Prompt Fits All: Universal Graph Adaptation for Pretrained Models
Venue: Conference NeurIPS 2025
Year: 2025

Graph Prompt Learning (GPL) has emerged as a promising paradigm that bridges graph pretraining models and downstream scenarios, mitigating label dependency and the misalignment between upstream pretraining and downstream tasks. Although existing GPL studies explore various prompt strategies, their effectiveness and underlying principles remain unclear. We identify two critical limitations: (1) Lack of consensus on underlying mechanisms: Despite current GPLs have advanced the field, there is no consensus on how prompts interact with pretrained models, as different strategies intervene at varying spaces within the model, i.e., input-level, layer-wise, and representation-level prompts. (2) Limited scenario adaptability: Most methods fail to generalize across diverse downstream scenarios, especially under data distribution shifts (e.g., homophilic-to-heterophilic graphs). To address these issues, we theoretically analyze existing GPL approaches and reveal that representation-level prompts essentially function as fine-tuning a simple downstream classifier, proposing that graph prompt learning should focus on unleashing the capability of pretrained models, and the classifier should adapt to downstream scenarios. Based on our findings, we propose UniPrompt, a novel GPL method that adapts any pretrained models, unleashing the capability of pretrained models while preserving the input graph. Extensive experiments demonstrate that our method can effectively integrate with various pretrained models and achieve strong performance across in-domain and cross-domain scenarios.
Continuous Simplicial Neural Networks
Venue: Conference NeurIPS 2025
Year: 2025

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.
Towards General Modality Translation with Contrastive and Predictive Latent Diffusion Bridge
Venue: Conference NeurIPS 2025
Year: 2025

Recent advances in generative modeling have positioned diffusion models as state-of-the-art tools for sampling from complex data distributions. While these models have shown remarkable success across single-modality domains such as images and audio, extending their capabilities to Modality Translation (MT), translating information across different sensory modalities, remains an open challenge. Existing approaches often rely on restrictive assumptions, including shared dimensionality, Gaussian source priors, and modality-specific architectures, which limit their generality and theoretical grounding. In this work, we propose the Latent Denoising Diffusion Bridge Model (LDDBM), a general-purpose framework for modality translation based on a latent-variable extension of Denoising Diffusion Bridge Models. By operating in a shared latent space, our method learns a bridge between arbitrary modalities without requiring aligned dimensions. We introduce a contrastive alignment loss to enforce semantic consistency between paired samples and design a domain-agnostic encoder-decoder architecture tailored for noise prediction in latent space. Additionally, we propose a predictive loss to guide training toward accurate cross-domain translation and explore several training strategies to improve stability. Our approach supports arbitrary modality pairs and performs strongly on diverse MT tasks, including multi-view to 3D shape generation, image super-resolution, and multi-view scene synthesis. Comprehensive experiments and ablations validate the effectiveness of our framework, establishing a new strong baseline in general modality translation. For more information, see our project page: https://sites.google.com/view/lddbm/home.
Straight-Line Diffusion Model for Efficient 3D Molecular Generation
Venue: Conference NeurIPS 2025
Year: 2025

Diffusion-based models have shown great promise in molecular generation but often require a large number of sampling steps to generate valid samples. In this paper, we introduce a novel Straight-Line Diffusion Model (SLDM) to tackle this problem, by formulating the diffusion process to follow a linear trajectory. The proposed process aligns well with the noise sensitivity characteristic of molecular structures and uniformly distributes reconstruction effort across the generative process, thus enhancing learning efficiency and efficacy. Consequently, SLDM achieves state-of-the-art performance on 3D molecule generation benchmarks, delivering a 100-fold improvement in sampling efficiency.
Structural Information-based Hierarchical Diffusion for Offline Reinforcement Learning
Venue: Conference NeurIPS 2025
Year: 2025

Diffusion-based generative methods have shown promising potential for modeling trajectories from offline reinforcement learning (RL) datasets, and hierarchical diffusion has been introduced to mitigate variance accumulation and computational challenges in long-horizon planning tasks. However, existing approaches typically assume a fixed two-layer diffusion hierarchy with a single predefined temporal scale, which limits adaptability to diverse downstream tasks and reduces flexibility in decision making. In this work, we propose SIHD, a novel Structural Information-based Hierarchical Diffusion framework for effective and stable offline policy learning in long-horizon environments with sparse rewards. Specifically, we analyze structural information embedded in offline trajectories to construct the diffusion hierarchy adaptively, enabling flexible trajectory modeling across multiple temporal scales. Rather than relying on reward predictions from localized sub-trajectories, we quantify the structural information gain of each state community and use it as a conditioning signal within the corresponding diffusion layer. To reduce overreliance on offline datasets, we introduce a structural entropy regularizer that encourages exploration of underrepresented states while avoiding extrapolation errors from distributional shifts. Extensive evaluations on challenging offline RL tasks show that SIHD significantly outperforms state-of-the-art baselines in decision-making performance and demonstrates superior generalization across diverse scenarios.
MIRA: Medical Time Series Foundation Model for Real-World Health Data
Venue: Conference NeurIPS 2025
Year: 2025

A unified foundation model for medical time series -- pretrained on open access and ethics board-approved medical corpora -- offers the potential to reduce annotation burdens, minimize model customization, and enable robust transfer across clinical institutions, modalities, and tasks, particularly in data-scarce or privacy-constrained environments. However, existing generalist time series foundation models struggle to handle medical time series data due to their inherent challenges, including irregular intervals, heterogeneous sampling rates, and frequent missing values. To address these challenges, we introduce MIRA, a unified foundation model specifically designed for medical time series forecasting. MIRA incorporates a Continuous-Time Rotary Positional Encoding that enables fine-grained modeling of variable time intervals, a frequency-specific mixture-of-experts layer that routes computation across latent frequency regimes to further promote temporal specialization, and a Continuous Dynamics Extrapolation Block based on Neural ODE that models the continuous trajectory of latent states, enabling accurate forecasting at arbitrary target timestamps. Pretrained on a large-scale and diverse medical corpus comprising over 454 billion time points collect from publicly available datasets, MIRA achieves reductions in forecasting errors by an average of 10% and 7% in out-of-distribution and in-distribution scenarios, respectively, when compared to other zero-shot and fine-tuned baselines. We also introduce a comprehensive benchmark spanning multiple downstream clinical tasks, establishing a foundation for future research in medical time series modeling.
MINGLE: Mixture of Null-Space Gated Low-Rank Experts for Test-Time Continual Model Merging
Venue: Conference NeurIPS 2025
Year: 2025

Continual model merging integrates independently fine-tuned models sequentially without access to the original training data, offering a scalable and efficient solution for continual learning. However, existing methods face two critical challenges: parameter interference among tasks, which leads to catastrophic forgetting, and limited adaptability to evolving test distributions. To address these issues, we introduce the task of Test-Time Continual Model Merging (TTCMM), which leverages a small set of unlabeled test samples during inference to alleviate parameter conflicts and handle distribution shifts. We propose MINGLE, a novel framework for TTCMM. MINGLE employs a mixture-of-experts architecture with parameter-efficient, low-rank experts, which enhances adaptability to evolving test distributions while dynamically merging models to mitigate conflicts. To further reduce forgetting, we propose Null-Space Constrained Gating, which restricts gating updates to subspaces orthogonal to prior task representations, thereby suppressing activations on old tasks and preserving past knowledge. We further introduce an Adaptive Relaxation Strategy that adjusts constraint strength dynamically based on interference signals observed during test-time adaptation, striking a balance between stability and adaptability. Extensive experiments on standard continual merging benchmarks demonstrate that MINGLE achieves robust generalization, significantly reduces forgetting, and consistently surpasses previous state-of-the-art methods by 7-9% on average across diverse task orders. Our code is available at: https://github.com/zihuanqiu/MINGLE
macOSWorld: A Multilingual Interactive Benchmark for GUI Agents
Venue: Conference NeurIPS 2025
Year: 2025

Graphical User Interface (GUI) agents show promising capabilities for automating computer-use tasks and facilitating accessibility, but existing interactive benchmarks are mostly English-only, covering web-use or Windows, Linux, and Android environments, but not macOS. macOS is a major OS with distinctive GUI patterns and exclusive applications. To bridge the gaps, we present macOSWorld, the first comprehensive benchmark for evaluating GUI agents on macOS. macOSWorld features 202 multilingual interactive tasks across 30 applications (28 macOS-exclusive), with task instructions and OS interfaces offered in 5 languages (English, Chinese, Arabic, Japanese, and Russian). As GUI agents are shown to be vulnerable to deception attacks, macOSWorld also includes a dedicated safety benchmarking subset. Our evaluation on six GUI agents reveals a dramatic gap: proprietary computer-use agents lead at above 30% success rate, while open-source lightweight research models lag at below 5\%, highlighting the need for macOS domain adaptation. Multilingual benchmarks also expose common weaknesses, especially in Arabic, with a 28.8% average degradation compared to English. Results from safety benchmarking also highlight that deception attacks are more general and demand immediate attention. Project page: https://macos-world.github.io.