OpenRaiser/Intern-Atlas huggingface dataset:
Multi-Actor Multi-Critic Deep Deterministic Reinforcement Learning with a Novel Q-Ensemble Method
Venue: Conference NeurIPS 2025
Year: 2025

Reinforcement learning has gathered much attention in recent years due to its rapid development and rich applications, especially on control systems and robotics. When tackling real-world applications with reinforcement learning method, the corresponded Markov decision process may have huge discrete or even continuous state/action space. Deep reinforcement learning has been studied for handling these issues through deep learning for years, and one promising branch is the actor-critic architecture. Many past studies leveraged multiple critics to enhance the accuracy of evaluation of a policy for addressing the overestimation and underestimation issues. However, few studies have considered the architecture with multiple actors together with multiple critics. This study proposes a novel multi-actor multi-critic (MAMC) deep deterministic reinforcement learning method. The proposed method has three main features, including selection of actors based on non-dominated sorting for exploration with respect to skill and creativity factors, evaluation for actors and critics using a quantile-based ensemble strategy, and exploiting actors with best skill factor. Theoretical analysis proves the learning stability and bounded estimation bias for the MAMC. The present study examines the performance on a well-known reinforcement learning benchmark MuJoCo. Experimental results show that the proposed framework outperforms state-of-the-art deep deterministic based reinforcement learning methods. Experimental analysis also indicates the proposed components are effective. Empirical analysis further investigates the validity of the proposed method, and shows its benefit on complicated problems. The source code can be found at https://github.com/AndyWu101/MAMC.
Human Texts Are Outliers: Detecting LLM-generated Texts via Out-of-distribution Detection
Venue: Conference NeurIPS 2025
Year: 2025

The rapid advancement of large language models (LLMs) such as ChatGPT, DeepSeek, and Claude has significantly increased the presence of AI-generated text in digital communication. This trend has heightened the need for reliable detection methods to distinguish between human-authored and machine-generated content. Existing approaches both zero-shot methods and supervised classifiers largely conceptualize this task as a binary classification problem, often leading to poor generalization across domains and models. In this paper, we argue that such a binary formulation fundamentally mischaracterizes the detection task by assuming a coherent representation of human-written texts. In reality, human texts do not constitute a unified distribution, and their diversity cannot be effectively captured through limited sampling. This causes previous classifiers to memorize observed OOD characteristics rather than learn the essence of `non-ID' behavior, limiting generalization to unseen human-authored inputs. Based on this observation, we propose reframing the detection task as an out-of-distribution (OOD) detection problem, treating human-written texts as distributional outliers while machine-generated texts are in-distribution (ID) samples. To this end, we develop a detection framework using one-class learning method including DeepSVDD and HRN, and score-based learning techniques such as energy-based method, enabling robust and generalizable performance. Extensive experiments across multiple datasets validate the effectiveness of our OOD-based approach. Specifically, the OOD-based method achieves 98.3% AUROC and AUPR with only 8.9% FPR95 on DeepFake dataset. Moreover, we test our detection framework on multilingual, attacked, and unseen-model and -domain text settings, demonstrating the robustness and generalizability of our framework. Code, pretrained weights, and demo will be released.
Tight Bounds on the Distortion of Randomized and Deterministic Distributed Voting
Venue: Conference NeurIPS 2025
Year: 2025

We study metric distortion in distributed voting, where $n$ voters are partitioned into $k$ groups, each selecting a local representative, and a final winner is chosen from these representatives (or from the entire set of candidates). This setting models systems like U.S. presidential elections, where state-level decisions determine the national outcome. We focus on four cost objectives from \citep{anshelevich2022distortion}: $\avgavg$, $\avgmax$, $\maxavg$, and $\maxmax$. We present improved distortion bounds for both deterministic and randomized mechanisms, offering a near-complete characterization of distortion in this model. For deterministic mechanisms, we reduce the upper bound for $\avgmax$ from $11$ to $7$, establish a tight lower bound of $5$ for $\maxavg$ (improving on $2+\sqrt{5}$), and tighten the upper bound for $\maxmax$ from $5$ to $3$. For randomized mechanisms, we consider two settings: (i) only the second stage is randomized, and (ii) both stages may be randomized. In case (i), we prove tight bounds: $5\!-\!2/k$ for $\avgavg$, $3$ for $\avgmax$ and $\maxmax$, and $5$ for $\maxavg$. In case (ii), we show tight bounds of $3$ for $\maxavg$ and $\maxmax$, and nearly tight bounds for $\avgavg$ and $\avgmax$ within $[3\!-\!2/n,\ 3\!-\!2/(kn^*)]$ and $[3\!-\!2/n,\ 3]$, respectively, where $n^*$ denotes the largest group size.
Provable Sample-Efficient Transfer Learning Conditional Diffusion Models via Representation Learning
Venue: Conference NeurIPS 2025
Year: 2025

While conditional diffusion models have achieved remarkable success in various applications, they require abundant data to train from scratch, which is often infeasible in practice. To address this issue, transfer learning has emerged as an essential paradigm in small data regimes. Despite its empirical success, the theoretical underpinnings of transfer learning conditional diffusion models remain unexplored. In this paper, we take the first step towards understanding the sample efficiency of transfer learning conditional diffusion models through the lens of representation learning. Inspired by practical training procedures, we assume that there exists a low-dimensional representation of conditions shared across all tasks. Our analysis shows that with a well-learned representation from source tasks, the samplecomplexity of target tasks can be reduced substantially. In addition, we investigate the practical implications of our theoretical results in several real-world applications of conditional diffusion models. Numerical experiments are also conducted to verify our results.
Rethinking Verification for LLM Code Generation: From Generation to Testing
Venue: Conference NeurIPS 2025
Year: 2025

Large language models (LLMs) have recently achieved notable success in code-generation benchmarks such as HumanEval and LiveCodeBench. However, a detailed examination reveals that these evaluation suites often comprise only a limited number of homogeneous test cases, resulting in subtle faults going undetected. This not only artificially inflates measured performance but also compromises accurate reward estimation in reinforcement learning frameworks utilizing verifiable rewards (RLVR). To address these critical shortcomings, we systematically investigate the test-case generation (TCG) task by proposing multi-dimensional metrics designed to rigorously quantify test-suite thoroughness. Furthermore, we introduce a human-LLM collaborative method (SAGA), leveraging human programming expertise with LLM reasoning capability, aimed at significantly enhancing both the coverage and the quality of generated test cases. In addition, we develop a TCGBench to facilitate the study of the TCG task. Experiments show that SAGA achieves a detection rate of 90.62% and a verifier accuracy of 32.58% on TCGBench. The Verifier Accuracy (Verifier Acc) of the code generation evaluation benchmark synthesized by SAGA is 10.78% higher than that of LiveCodeBench-v6. These results demonstrate the effectiveness of our proposed method. We hope this work contributes to building a scalable foundation for reliable LLM code evaluation, further advancing RLVR in code generation, and paving the way for automated adversarial test synthesis and adaptive benchmark integration.
Lyapunov-Stable Adaptive Control for Multimodal Concept Drift
Venue: Conference NeurIPS 2025
Year: 2025

Multimodal learning systems often struggle in non-stationary environments due to concept drift, where changing data distributions can degrade performance. Modality-specific drifts and the lack of mechanisms for continuous, stable adaptation compound this challenge. This paper introduces LS-OGD, a novel adaptive control framework for robust multimodal learning in the presence of concept drift. LS-OGD uses an online controller that dynamically adjusts the model's learning rate and the fusion weights between different data modalities in response to detected drift and evolving prediction errors. We prove that under bounded drift conditions, the LS-OGD system's prediction error is uniformly ultimately bounded and converges to zero if the drift ceases. Additionally, we demonstrate that the adaptive fusion strategy effectively isolates and mitigates the impact of severe modality-specific drift, thereby ensuring system resilience and fault tolerance. These theoretical guarantees establish a principled foundation for developing reliable and continuously adapting multimodal learning systems.
GUI-Actor: Coordinate-Free Visual Grounding for GUI Agents
Venue: Conference NeurIPS 2025
Year: 2025

One of the principal challenges in building VLM-powered GUI agents is visual grounding, i.e., localizing the appropriate screen region for action execution based on both the visual content and the textual plans. Most existing work formulates this as a text-based coordinate generation task. However, these approaches suffer from several limitations: weak spatial-semantic alignment, inability to handle ambiguous supervision targets, and a mismatch between the dense nature of screen coordinates and the coarse, patch-level granularity of visual features extracted by models like Vision Transformers. In this paper, we propose GUI-Actor, a VLM-based method for coordinate-free GUI grounding. At its core, GUI-Actor introduces an attention-based action head that learns to align a dedicated <ACTOR> token with all relevant visual patch tokens, enabling the model to propose one or more action regions in a single forward pass. In line with this, we further design a grounding verifier to evaluate and select the most plausible action region from the candidates proposed for action execution. Extensive experiments show that GUI-Actor outperforms prior state-of-the-art methods on multiple GUI action grounding benchmarks, with improved generalization to unseen screen resolutions and layouts. Notably, GUI-Actor-7B even surpasses UI-TARS-72B (38.1) on ScreenSpot-Pro, achieving scores of 40.7 with Qwen2-VL and 44.6 with Qwen2.5-VL as backbones. Furthermore, by incorporating the verifier, we find that fine-tuning only the newly introduced action head (~100M parameters for 7B model) while keeping the VLM backbone frozen is sufficient to achieve performance comparable to previous state-of-the-art models, highlighting that GUI-Actor can endow the underlying VLM with effective grounding capabilities without compromising its general-purpose strengths.
GLVD: Guided Learned Vertex Descent
Venue: Conference NeurIPS 2025
Year: 2025

Existing 3D face modeling methods usually depend on 3D Morphable Models, which inherently constrain the representation capacity to fixed shape priors. Optimization-based approaches offer high-quality reconstructions but tend to be computationally expensive. In this work, we introduce GLVD, a hybrid method for 3D face reconstruction from few-shot images that extends Learned Vertex Descent (LVD) by integrating per-vertex neural field optimization with global structural guidance from dynamically predicted 3D keypoints. By incorporating relative spatial encoding, GLVD iteratively refines mesh vertices without requiring dense 3D supervision. This enables expressive and adaptable geometry reconstruction while maintaining computational efficiency. GLVD achieves state-of-the-art performance in single-view settings and remains highly competitive in multi-view scenarios, all while substantially reducing inference time.
Private Hyperparameter Tuning with Ex-Post Guarantee
Venue: Conference NeurIPS 2025
Year: 2025

The conventional approach in differential privacy (DP) literature formulates the privacy-utility trade-off with a "privacy-first" perspective: for a predetermined level of privacy, a certain utility is achievable. However, practitioners often operate under a "utility-first" paradigm, prioritizing a desired level of utility and then determining the corresponding privacy cost. Wu et al. [2019] initiated a formal study of this "utility-first" perspective by introducing ex-post DP. They demonstrated that by adding correlated Laplace noise and progressively reducing it on demand, a sequence of increasingly accurate estimates of a private parameter can be generated, with the privacy cost attributed only to the least noisy iterate released. This led to a Laplace mechanism variant that achieves a specified utility with minimal privacy loss. However, their work, and similar findings by Whitehouse et al. [2022], are primarily limited to simple mechanisms based on Laplace or Gaussian noise. In this paper, we significantly generalize these results. In particular, we extend the work of Wu et al. [2019] and Liu and Talwar [2019] to support any sequence of private estimators, incurring at most a doubling of the original privacy budget. Furthermore, we demonstrate that hyperparameter tuning for these estimators, including the selection of an optimal privacy budget, can be performed without additional privacy cost. Finally, we extend our results to ex-post Renyi DP, further broadening the applicability of utility-first privacy mechanisms.
Latent Retrieval Augmented Generation of Cross-Domain Protein Binders
Venue: Conference NeurIPS 2025
Year: 2025

Designing protein binders targeting specific sites, which requires to generate realistic and functional interaction patterns, is a fundamental challenge in drug discovery. Current structure-based generative models are limited in generating nterfaces with sufficient rationality and interpretability. In this paper, we propose Retrieval-Augmented Diffusion for Aligned interface (RADiAnce), a new framework that leverages known interfaces to guide the design of novel binders. By unifying retrieval and generation in a shared contrastive latent space, our model efficiently identifies relevant interfaces for a given binding site and seamlessly integrates them through a conditional latent diffusion generator, enabling cross-domain interface transfer. Extensive exeriments show that RADiAnce significantly outperforms baseline models across multiple metrics, including binding affinity and recovery of geometries and interactions. Additional experimental results validate cross-domain generalization, demonstrating that retrieving interfaces from diverse domains, such as peptides, antibodies, and protein fragments, enhances the generation performance of binders for other domains. Our work establishes a new paradigm for protein binder design that successfully bridges retrieval-based knowledge and generative AI, opening new possibilities for drug discovery.
An efficient implementation for solving the all pairs minimax path problem in an undirected dense graph
Venue: Conference NeurIPS 2025
Year: 2025

We provide an efficient $ O(n^2) $ implementation for solving the all pairs minimax path problem or widest path problem in an undirected dense graph. It is a code implementation of the Algorithm 4 (MMJ distance by Calculation and Copy) in a previous paper. The distance matrix is also called the all points path distance (APPD). We conducted experiments to test the implementation and algorithm, compared it with several other algorithms for solving the APPD matrix. Result shows Algorithm 4 works good for solving the widest path or minimax path APPD matrix. It can drastically improve the efficiency for computing the APPD matrix. There are several theoretical outcomes which claim the APPD matrix can be solved accurately in $ O(n^2) $ . However, they are impractical because there is no code implementation of these algorithms. It seems Algorithm 4 is the first algorithm that has an actual code implementation for solving the APPD matrix of minimax path or widest path problem in $ O(n^2) $, in an undirected dense graph.
A Implies B: Circuit Analysis in LLMs for Propositional Logical Reasoning
Venue: Conference NeurIPS 2025
Year: 2025

Due to the size and complexity of modern large language models (LLMs), it has proven challenging to uncover the underlying mechanisms that models use to solve reasoning problems. For instance, is their reasoning for a specific problem localized to certain parts of the network? Do they break down the reasoning problem into modular components that are then executed as sequential steps as we go deeper in the model? To better understand the reasoning capability of LLMs, we study a minimal propositional logic problem that requires combining multiple facts to arrive at a solution. By studying this problem on Mistral and Gemma models, up to 27B parameters, we illuminate the core components the models use to solve such logic problems. From a mechanistic interpretability point of view, we use causal mediation analysis to uncover the pathways and components of the LLMs' reasoning processes. Then, we offer fine-grained insights into the functions of attention heads in different layers. We not only find a sparse circuit that computes the answer, but we decompose it into sub-circuits that have four distinct and modular uses. Finally, we reveal that three distinct models -- Mistral-7B, Gemma-2-9B and Gemma-2-27B -- contain analogous but not identical mechanisms.
MoPFormer: Motion-Primitive Transformer for Wearable-Sensor Activity Recognition
Venue: Conference NeurIPS 2025
Year: 2025

Human Activity Recognition (HAR) with wearable sensors is challenged by limited interpretability, which significantly impacts cross-dataset generalization. To address this challenge, we propose Motion-Primitive Transformer (MoPFormer), a novel self-supervised framework that enhances interpretability by tokenizing inertial measurement unit signals into semantically meaningful motion primitives and leverages a Transformer architecture to learn rich temporal representations. MoPFormer comprises two stages. The first stage is to partition multi-channel sensor streams into short segments and quantize them into discrete ``motion primitive'' codewords, while the second stage enriches those tokenized sequences through a context-aware embedding module and then processes them with a Transformer encoder. The proposed MoPFormer can be pre-trained using a masked motion-modeling objective that reconstructs missing primitives, enabling it to develop robust representations across diverse sensor configurations. Experiments on six HAR benchmarks demonstrate that MoPFormer not only outperforms state-of-the-art methods but also successfully generalizes across multiple datasets. More importantly, the learned motion primitives significantly enhance both interpretability and cross-dataset performance by capturing fundamental movement patterns that remain consistent across similar activities, regardless of dataset origin.
Quantifying Distributional Invariance in Causal Subgraph for IRM-Free Graph Generalization
Venue: Conference NeurIPS 2025
Year: 2025

Out-of-distribution generalization under distributional shifts remains a critical challenge for graph neural networks. Existing methods generally adopt the Invariant Risk Minimization (IRM) framework, requiring costly environment annotations or heuristically generated synthetic splits. To circumvent these limitations, in this work, we aim to develop an IRM-free method for capturing causal subgraphs. We first identify that causal subgraphs exhibit substantially smaller distributional variations than non-causal components across diverse environments, which we formalize as the Invariant Distribution Criterion and theoretically prove in this paper. Building on this criterion, we systematically uncover the quantitative relationship between distributional shift and representation norm for identifying the causal subgraph, and investigate its underlying mechanisms in depth. Finally, we propose an IRM-free method by introducing a norm-guided invariant distribution objective for causal subgraph discovery and prediction. Extensive experiments on two widely used benchmarks demonstrate that our method consistently outperforms state-of-the-art methods in graph generalization.
MaNGO — Adaptable Graph Network Simulators via Meta-Learning
Venue: Conference NeurIPS 2025
Year: 2025

Accurately simulating physics is crucial across scientific domains, with applications spanning from robotics to materials science. While traditional mesh-based simulations are precise, they are often computationally expensive and require knowledge of physical parameters, such as material properties. In contrast, data-driven approaches like Graph Network Simulators (GNSs) offer faster inference but suffer from two key limitations: Firstly, they must be retrained from scratch for even minor variations in physical parameters, and secondly they require labor-intensive data collection for each new parameter setting. This is inefficient, as simulations with varying parameters often share a common underlying latent structure. In this work, we address these challenges by learning this shared structure through meta-learning, enabling fast adaptation to new physical parameters without retraining. To this end, we propose a novel architecture that generates a latent representation by encoding graph trajectories using conditional neural processes (CNPs). To mitigate error accumulation over time, we combine CNPs with a novel neural operator architecture. We validate our approach, Meta Neural Graph Operator (MaNGO), on several dynamics prediction tasks with varying material properties, demonstrating superior performance over existing GNS methods. Notably, MaNGO achieves accuracy on unseen material properties close to that of an oracle model.
Linear Mixture Distributionally Robust Markov Decision Processes
Venue: Conference NeurIPS 2025
Year: 2025

Many real-world decision-making problems face the off-dynamics challenge: the agent learns a policy in a source domain and deploys it in a target domain with different state transitions. The distributionally robust Markov decision process (DRMDP) addresses this challenge by finding a robust policy that performs well under the worst-case environment within a pre-specified uncertainty set of transition dynamics. Its effectiveness heavily hinges on the proper design of these uncertainty sets, based on prior knowledge of the dynamics. In this work, we propose a novel linear mixture DRMDP framework, where the nominal dynamics is assumed to be a linear mixture model. In contrast with existing uncertainty sets directly defined as a ball centered around the nominal kernel, linear mixture DRMDPs define the uncertainty sets based on a ball around the mixture weighting parameter. We show that this new framework provides a more refined representation of uncertainties compared to conventional models based on $(s,a)$-rectangularity and $d$-rectangularity, when prior knowledge about the mixture model is present. We propose a meta algorithm for robust policy learning in linear mixture DRMDPs with general $f$-divergence defined uncertainty sets, and analyze its sample complexities under three divergence metrics instantiations: total variation, Kullback-Leibler, and $χ^2$ divergences. These results establish the statistical learnability of linear mixture DRMDPs, laying the theoretical foundation for future research on this new setting.