OpenRaiser/Intern-Atlas huggingface dataset:
Beyond Token Probes: Hallucination Detection via Activation Tensors with ACT-ViT
Venue: Conference NeurIPS 2025
Year: 2025

Detecting hallucinations in Large Language Model-generated text is crucial for their safe deployment. While probing classifiers show promise, they operate on isolated layer-token pairs and are LLM-specific, limiting their effectiveness and hindering cross-LLM applications. In this paper, we introduce a novel approach to address these shortcomings. We build on the natural sequential structure of activation data in both axes (layers $\times$ tokens) and advocate treating full activation tensors akin to images. We design ACT-ViT, a Vision Transformer-inspired model that can be effectively and efficiently applied to activation tensors and supports training on data from multiple LLMs simultaneously. Through comprehensive experiments encompassing diverse LLMs and datasets, we demonstrate that ACT-ViT consistently outperforms traditional probing techniques while remaining extremely efficient for deployment. In particular, we show that our architecture benefits substantially from multi-LLM training, achieves strong zero-shot performance on unseen datasets, and can be transferred effectively to new LLMs through fine-tuning. Full code is available at https://github.com/BarSGuy/ACT-ViT.
Mixture of Scope Experts at Test: Generalizing Deeper Graph Neural Networks with Shallow Variants
Venue: Conference NeurIPS 2025
Year: 2025

Heterophilous graphs, where dissimilar nodes tend to connect, pose a challenge for graph neural networks (GNNs). Increasing the GNN depth can expand the scope (i.e., receptive field), potentially finding homophily from the higher-order neighborhoods. However, GNNs suffer from performance degradation as depth increases. Despite having better expressivity, state-of-the-art deeper GNNs achieve only marginal improvements compared to their shallow variants. Through theoretical and empirical analysis, we systematically demonstrate a shift in GNN generalization preferences across nodes with different homophily levels as depth increases. This creates a disparity in generalization patterns between GNN models with varying depth. Based on these findings, we propose to improve deeper GNN generalization while maintaining high expressivity by Mixture of scope experts at test (Moscat). Experimental results show that Moscat works flexibly with various GNNs across a wide range of datasets while significantly improving accuracy. Our code is available at (https://github.com/Hydrapse/moscat).
QiMeng-NeuComBack: Self-Evolving Translation from IR to Assembly Code
Venue: Conference NeurIPS 2025
Year: 2025

Compilers, while essential, are notoriously complex systems that demand prohibitively expensive human expertise to develop and maintain. The recent advancements in Large Language Models (LLMs) offer a compelling new paradigm: Neural Compilation, which could potentially simplify compiler development for new architectures and facilitate the discovery of innovative optimization techniques. However, several critical obstacles impede its practical adoption. Firstly, a significant lack of dedicated benchmarks and robust evaluation methodologies hinders objective assessment and tracking of progress in the field. Secondly, systematically enhancing the reliability and performance of LLM-generated assembly remains a critical challenge. Addressing these challenges, this paper introduces NeuComBack, a novel benchmark dataset specifically designed for IR-to-assembly compilation. Leveraging this dataset, we first define a foundational Neural Compilation workflow and conduct a comprehensive evaluation of the capabilities of recent frontier LLMs on Neural Compilation, establishing new performance baselines. We further propose a self-evolving prompt optimization method that enables LLMs to iteratively evolve their internal prompt strategies by extracting insights from prior self-debugging traces, thereby enhancing their neural compilation capabilities. Experiments demonstrate that our method significantly improves both the functional correctness and the performance of LLM-generated assembly code. Compared to baseline prompts, the functional correctness rates improved from 44% to 64% on x86_64 and from 36% to 58% on aarch64, respectively. More significantly, among the 16 correctly generated x86_64 programs using our method, 14 (87.5%) surpassed clang-O3 performance.
Temporal Representation Alignment: Successor Features Enable Emergent Compositionality in Robot Instruction Following
Venue: Conference NeurIPS 2025
Year: 2025

Effective task representations should facilitate compositionality, such that after learning a variety of basic tasks, an agent can perform compound tasks consisting of multiple steps simply by composing the representations of the constituent steps together. While this is conceptually simple and appealing, it is not clear how to automatically learn representations that enable this sort of compositionality. We show that learning to associate the representations of current and future states with a temporal alignment loss can improve compositional generalization, even in the absence of any explicit subtask planning or reinforcement learning. We evaluate our approach across diverse robotic manipulation tasks as well as in simulation, showing substantial improvements for tasks specified with either language or goal images.
Direct Numerical Layout Generation for 3D Indoor Scene Synthesis via Spatial Reasoning
Venue: Conference NeurIPS 2025
Year: 2025

Realistic 3D indoor scene synthesis is vital for embodied AI and digital content creation. It can be naturally divided into two subtasks: object generation and layout generation. While recent generative models have significantly advanced object-level quality and controllability, layout generation remains challenging due to limited datasets. Existing methods either overfit to these datasets or rely on predefined constraints to optimize numerical layout that sacrifice flexibility. As a result, they fail to generate scenes that are both open-vocabulary and aligned with fine-grained user instructions. We introduce DirectLayout, a framework that directly generates numerical 3D layouts from text descriptions using generalizable spatial reasoning of large language models (LLMs). DirectLayout decomposes the generation into three stages: producing a Bird's-Eye View (BEV) layout, lifting it into 3D space, and refining object placements. To enable explicit spatial reasoning and help the model grasp basic principles of object placement, we employ Chain-of-Thought (CoT) Activation based on the 3D-Front dataset. Additionally, we design CoT-Grounded Generative Layout Reward to enhance generalization and spatial planning. During inference, DirectLayout addresses asset-layout mismatches via Iterative Asset-Layout Alignment through in-context learning. Extensive experiments demonstrate that DirectLayout achieves impressive semantic consistency, generalization and physical plausibility.
Adapting to Stochastic and Adversarial Losses in Episodic MDPs with Aggregate Bandit Feedback
Venue: Conference NeurIPS 2025
Year: 2025

We study online learning in finite-horizon episodic Markov decision processes (MDPs) under the challenging aggregate bandit feedback model, where the learner observes only the cumulative loss incurred in each episode, rather than individual losses at each state-action pair. While prior work in this setting has focused exclusively on worst-case analysis, we initiate the study of best-of-both-worlds (BOBW) algorithms that achieve low regret in both stochastic and adversarial environments. We propose the first BOBW algorithms for episodic tabular MDPs with aggregate bandit feedback. In the case of known transitions, our algorithms achieve $O(\log T)$ regret in stochastic settings and ${O}(\sqrt{T})$ regret in adversarial ones. Importantly, we also establish matching lower bounds, showing the optimality of our algorithms in this setting. We further extend our approach to unknown-transition settings by incorporating confidence-based techniques. Our results rely on a combination of FTRL over occupancy measures, self-bounding techniques, and new loss estimators inspired by recent advances in online shortest path problems. Along the way, we also provide the first individual-gap-dependent lower bounds and demonstrate near-optimal BOBW algorithms for shortest path problems with bandit feedback.
SketchMind:  A Multi-Agent Cognitive Framework for Assessing Student-Drawn Scientific Sketches
Venue: Conference NeurIPS 2025
Year: 2025

Scientific sketches (e.g., models) offer a powerful lens into students' conceptual understanding, yet AI-powered automated assessment of such free-form, visually diverse artifacts remains a critical challenge. Existing solutions often treat sketch evaluation as either an image classification task or monolithic vision-language models, which lack interpretability, pedagogical alignment, and adaptability across cognitive levels. To address these limitations, we present SketchMind, a cognitively grounded, multi-agent framework for evaluating and improving student-drawn scientific sketches. SketchMind comprises modular agents responsible for rubric parsing, sketch perception, cognitive alignment, and iterative feedback with sketch modification, enabling personalized and transparent evaluation. We evaluate SketchMind on a curated dataset of 3,575 student-generated sketches across six science assessment items with different highest order of Bloom's level that require students to draw models to explain phenomena. Compared to baseline GPT-4o performance without SRG (average accuracy: 55.6%), and with SRG integration achieves 77.1% average accuracy (+21.4% average absolute gain). We also demonstrate that multi-agent orchestration with SRG enhances SketchMind performance, for example, GPT-4.1 gains an average 8.9% increase in sketch prediction accuracy, outperforming single-agent pipelines across all items. Human evaluators rated the feedback and co-created sketches generated by \textsc{SketchMind} with GPT-4.1, which achieved an average of 4.1 out of 5, significantly higher than those of baseline models (e.g., 2.3 for GPT-4o). Experts noted the system's potential to meaningfully support conceptual growth through guided revision. Our code and (pending approval) dataset will be released to support reproducibility and future research in AI-driven education.
A High-Dimensional Statistical Method for Optimizing Transfer Quantities in Multi-Source Transfer Learning
Venue: Conference NeurIPS 2025
Year: 2025

Multi-source transfer learning provides an effective solution to data scarcity in real-world supervised learning scenarios by leveraging multiple source tasks. In this field, existing works typically use all available samples from sources in training, which constrains their training efficiency and may lead to suboptimal results. To address this, we propose a theoretical framework that answers the question: what is the optimal quantity of source samples needed from each source task to jointly train the target model? Specifically, we introduce a generalization error measure based on K-L divergence, and minimize it based on high-dimensional statistical analysis to determine the optimal transfer quantity for each source task. Additionally, we develop an architecture-agnostic and data-efficient algorithm OTQMS to implement our theoretical results for target model training in multi-source transfer learning. Experimental studies on diverse architectures and two real-world benchmark datasets show that our proposed algorithm significantly outperforms state-of-the-art approaches in both accuracy and data efficiency. The code and supplementary materials are available in https://github.com/zqy0126/OTQMS.
PARCO: Parallel AutoRegressive Models for Multi-Agent Combinatorial Optimization
Venue: Conference NeurIPS 2025
Year: 2025

Combinatorial optimization problems involving multiple agents are notoriously challenging due to their NP-hard nature and the necessity for effective agent coordination. Despite advancements in learning-based methods, existing approaches often face critical limitations, including suboptimal agent coordination, poor generalization, and high computational latency. To address these issues, we propose PARCO (Parallel AutoRegressive Combinatorial Optimization), a general reinforcement learning framework designed to construct high-quality solutions for multi-agent combinatorial tasks efficiently. To this end, PARCO integrates three key novel components: (1) transformer-based communication layers to enable effective agent collaboration during parallel solution construction, (2) a multiple pointer mechanism for low-latency, parallel agent decision-making, and (3) priority-based conflict handlers to resolve decision conflicts via learned priorities. We evaluate PARCO in multi-agent vehicle routing and scheduling problems, where our approach outperforms state-of-the-art learning methods, demonstrating strong generalization ability and remarkable computational efficiency. We make our source code publicly available to foster future research: https://github.com/ai4co/parco.
The Persistence of Neural Collapse Despite Low-Rank Bias
Venue: Conference NeurIPS 2025
Year: 2025

Neural collapse (NC) and its multi-layer variant, deep neural collapse (DNC), describe a structured geometry that occurs in the features and weights of trained deep networks. Recent theoretical work by Sukenik et al. using a deep unconstrained feature model (UFM) suggests that DNC is suboptimal under mean squared error (MSE) loss. They heuristically argue that this is due to low-rank bias induced by L2 regularization. In this work, we extend this result to deep UFMs trained with cross-entropy loss, showing that high-rank structures, including DNC, are not generally optimal. We characterize the associated low-rank bias, proving a fixed bound on the number of non-negligible singular values at global minima as network depth increases. We further analyze the loss surface, demonstrating that DNC is more prevalent in the landscape than other critical configurations, which we argue explains its frequent empirical appearance. Our results are validated through experiments in deep UFMs and deep neural networks.
EvoBrain: Dynamic Multi-Channel EEG Graph Modeling for Time-Evolving Brain Networks
Venue: Conference NeurIPS 2025
Year: 2025

Dynamic GNNs, which integrate temporal and spatial features in Electroencephalography (EEG) data, have shown great potential in automating seizure detection. However, fully capturing the underlying dynamics necessary to represent brain states, such as seizure and non-seizure, remains a non-trivial task and presents two fundamental challenges. First, most existing dynamic GNN methods are built on temporally fixed static graphs, which fail to reflect the evolving nature of brain connectivity during seizure progression. Second, current efforts to jointly model temporal signals and graph structures and, more importantly, their interactions remain nascent, often resulting in inconsistent performance. To address these challenges, we present the first theoretical analysis of these two problems, demonstrating the effectiveness and necessity of explicit dynamic modeling and time-then-graph dynamic GNN method. Building on these insights, we propose EvoBrain, a novel seizure detection model that integrates a two-stream Mamba architecture with a GCN enhanced by Laplacian Positional Encoding, following neurological insights. Moreover, EvoBrain incorporates explicitly dynamic graph structures, allowing both nodes and edges to evolve over time. Our contributions include (a) a theoretical analysis proving the expressivity advantage of explicit dynamic modeling and time-then-graph over other approaches, (b) a novel and efficient model that significantly improves AUROC by 23% and F1 score by 30%, compared with the dynamic GNN baseline, and (c) broad evaluations of our method on the challenging early seizure prediction tasks.
Offline Goal-conditioned Reinforcement Learning with Quasimetric Representations
Venue: Conference NeurIPS 2025
Year: 2025

Approaches for goal-conditioned reinforcement learning (GCRL) often use learned state representations to extract goal-reaching policies. Two frameworks for representation structure have yielded particularly effective GCRL algorithms: (1) *contrastive representations*, in which methods learn "successor features" with a contrastive objective that performs inference over future outcomes, and (2) *temporal distances*, which link the (quasimetric) distance in representation space to the transit time from states to goals. We propose an approach that unifies these two frameworks, using the structure of a quasimetric representation space (triangle inequality) with the right additional constraints to learn successor representations that enable optimal goal-reaching. Unlike past work, our approach is able to exploit a **quasimetric** distance parameterization to learn **optimal** goal-reaching distances, even with **suboptimal** data and in **stochastic** environments. This gives us the best of both worlds: we retain the stability and long-horizon capabilities of Monte Carlo contrastive RL methods, while getting the free stitching capabilities of quasimetric network parameterizations. On existing offline GCRL benchmarks, our representation learning objective improves performance on stitching tasks where methods based on contrastive learning struggle, and on noisy, high-dimensional environments where methods based on quasimetric networks struggle.
HOI-Dyn: Learning Interaction Dynamics for Human-Object Motion Diffusion
Venue: Conference NeurIPS 2025
Year: 2025

Generating realistic 3D human-object interactions (HOIs) remains a challenging task due to the difficulty of modeling detailed interaction dynamics. Existing methods treat human and object motions independently, resulting in physically implausible and causally inconsistent behaviors. In this work, we present HOI-Dyn, a novel framework that formulates HOI generation as a driver-responder system, where human actions drive object responses. At the core of our method is a lightweight transformer-based interaction dynamics model that explicitly predicts how objects should react to human motion. To further enforce consistency, we introduce a residual-based dynamics loss that mitigates the impact of dynamics prediction errors and prevents misleading optimization signals. The dynamics model is used only during training, preserving inference efficiency. Through extensive qualitative and quantitative experiments, we demonstrate that our approach not only enhances the quality of HOI generation but also establishes a feasible metric for evaluating the quality of generated interactions.
Tensor-Parallelism with Partially Synchronized Activations
Venue: Conference NeurIPS 2025
Year: 2025

Training and inference of Large Language Models (LLMs) with tensor-parallelism requires substantial communication to synchronize activations. Our findings suggest that with a few minor adjustments to current practices, LLMs can be trained without fully synchronizing activations, reducing bandwidth demands. We name this "Communication-Aware Architecture for Tensor-parallelism" (CAAT-Net). We train a 7B parameter CAAT-Net model and show that tensor-parallel communication can be reduced by up to 50% with no significant drop in pretraining accuracy across nearly all evaluated benchmarks. We also experiment with smaller 130M and 1.1B models to show the robustness and scalability of our method. We find that, in some scenarios, validation loss can even improve when reducing communication. Finally, we demonstrate how CAAT-Net accelerates both training and inference workloads across various settings and model sizes.
Process vs. Outcome Reward: Which is Better for Agentic RAG Reinforcement Learning
Venue: Conference NeurIPS 2025
Year: 2025

Retrieval-augmented generation (RAG) enhances the text generation capabilities of large language models (LLMs) by integrating external knowledge and up-to-date information. However, traditional RAG systems are limited by static workflows and lack the adaptability required for multistep reasoning and complex task management. To address these limitations, agentic RAG systems (e.g., DeepResearch) have been proposed, enabling dynamic retrieval strategies, iterative context refinement, and adaptive workflows for handling complex search queries beyond the capabilities of conventional RAG. Recent advances, such as Search-R1, have demonstrated promising gains using outcome-based reinforcement learning, where the correctness of the final answer serves as the reward signal. Nevertheless, such outcome-supervised agentic RAG methods face challenges including low exploration efficiency, gradient conflict, and sparse reward signals. To overcome these challenges, we propose to utilize fine-grained, process-level rewards to improve training stability, reduce computational costs, and enhance efficiency. Specifically, we introduce a novel method ReasonRAG that automatically constructs RAG-ProGuide, a high-quality dataset providing process-level rewards for (i) query generation, (ii) evidence extraction, and (iii) answer generation, thereby enhancing model inherent capabilities via process-supervised reinforcement learning. With the process-level policy optimization, the proposed framework empowers LLMs to autonomously invoke search, generate queries, extract relevant evidence, and produce final answers. Compared to existing approaches such as Search-R1 and traditional RAG systems, ReasonRAG, leveraging RAG-ProGuide, achieves superior performance on five benchmark datasets using only 5k training instances, significantly fewer than the 90k training instances required by Search-R1.
The Parameterized Complexity of Computing the VC-Dimension
Venue: Conference NeurIPS 2025
Year: 2025

The VC-dimension is a well-studied and fundamental complexity measure of a set system (or hypergraph) that is central to many areas of machine learning. We establish several new results on the complexity of computing the VC-dimension. In particular, given a hypergraph $\mathcal{H}=(\mathcal{V},\mathcal{E})$, we prove that the naive $2^{\mathcal{O}(|\mathcal{V}|)}$-time algorithm is asymptotically tight under the Exponential Time Hypothesis (ETH). We then prove that the problem admits a $1$-additive fixed-parameter approximation algorithm when parameterized by the maximum degree of $\mathcal{H}$ and a fixed-parameter algorithm when parameterized by its dimension, and that these are essentially the only such exploitable structural parameters. Lastly, we consider a generalization of the problem, formulated using graphs, which captures the VC-dimension of both set systems and graphs. We design a $2^{\mathcal{O}(\rm{tw}\cdot \log \rm{tw})}\cdot |V|$-time algorithm for any graph $G=(V,E)$ of treewidth $\rm{tw}$ (which, for a set system, applies to the treewidth of its incidence graph). This is in contrast with closely related problems that require a double-exponential dependency on the treewidth (assuming the ETH).