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Wanli Ouyang

Publications and source records attributed to Wanli Ouyang.

At least 37 records · Page 2Linked to original sources
arXiv2026

When LLM Meets Tree Search: A Systematic View of Inference as Search in Large Language Models

As pretraining scaling laws approach saturation, Test-Time Scaling (TTS) has emerged as an important direction for improving reasoning by allocating inference-time compute to a fixed model prior. Viewed at a high level, TTS reframes inference as search over a space of partial reasoning states. While Chain-of-Thought (CoT) exposes intermediate steps, common instantiations rely on single-trajectory decoding, limiting recovery from early errors and exploration. This survey systematizes recent progress in tree-search-based reasoning, viewing inference as instance-specific optimization rather than decoding. We trace the evolution from uninformed search to Monte Carlo Tree Search (MCTS), highlighting how sampling-based control supports principled exploration-exploitation trade-offs. To unify a fragmented literature, we introduce a Unified Design Space spanning search topology, evaluation signals, and control dynamics, and advocate a standardized compute-reporting abstraction to make compute-accuracy trade-offs explicit and comparable.

cs.CL↗
arXiv2026

SciOrch: Learning to Orchestrate Expert LLMs for Solving Frontier Multimodal Scientific Reasoning Tasks

Frontier scientific reasoning remains a major challenge for large language models (LLMs), where even the strongest commercial systems fall short of expert-level performance. A closer look at model behavior reveals substantial complementarity that single-model evaluation hides: different frontier models excel on different question types, and no single model captures the full picture. We present SciOrch, a framework that trains a lightweight 8B model to orchestrate frontier LLMs for scientific reasoning. The orchestrator decomposes each question, delegates sub-problems to selected commercial models through API calls, and synthesizes a final answer. Training such an orchestrator is fundamentally harder than conventional agentic RL: each action triggers an API call that is expensive in both dollar cost and latency, making standard online rollouts infeasible. We address this with MCTS-based approach, producing diverse orchestration trajectories, extracting per-node single-turn samples, and optimizing the orchestrator with GRPO-style training. On a 240-question test set spanning SGI-Reasoning and Scientists' First Exam, SciOrch reaches 56.66% average accuracy, outperforming the strongest single commercial model by 3.74% and the strongest multi-agent baseline by 3.33%. It also attains the best accuracy on both SGI and SFE with less than half the API cost of typical multi-agent methods.

cs.CL↗
arXiv2026

Support Operation Factorization: Compositional Readout of Frozen Vision Encoders under Controlled Interventions

Compositional analysis of frozen vision encoders should determine both what changed and where it changed. Standard factor probes score these axes separately, however, and can reward multiple operations that reuse the same predicted slot. We call this failure operation laundering. We introduce an injectively aligned leave-one-cell-out protocol over support x operation grids and SO-OPF, a readout that factors cell energy into support salience and a competitive operation posterior. This formulation separates two questions that aggregate scores conflate: whether the carrier composes held-out bindings when the grid is known, and whether that grid can be recovered from flat cell labels. With frozen DINOv3 features, known factorial assignment reaches 0.874 injective accuracy on Shapes3D-Extended and 0.799 on globally image-disjoint COCO; learning the assignment from flat labels reaches 0.769 and 0.762, respectively. Under matched-axis-aware supervision on Shapes3D, the factored carrier improves learned-assignment accuracy from 0.653 to 0.841 over a dense carrier and eliminates its laundering gap. SigLIP2 replicates the COCO separation. A rebuilt MuJoCo substrate exposes a boundary: learned-assignment accuracy is 0.569 with DINOv3 and 0.484 with SigLIP2, with substantial slot collapse. Thus factored readout and injective evaluation recover held-out bindings on two substrates while exposing, rather than hiding, a renderer-specific failure boundary; they do not establish universal recovery from flat labels.

cs.CV↗
arXiv2026

Video-DeepResearch: Towards the Next-Generation Multimodal Deepresearch Agent

We introduce Video-DeepResearch (Video-DR), extending multimodal agents from static images to continuous video streams, a setting that demands dense spatiotemporal grounding coupled with open-web exploration. Preliminary evaluations reveal two critical bottlenecks in current models: (1) modality bias, where agents bypass visual tools in favor of textual search, and (2) parametric knowledge leakage, where models rely on internal memory rather than genuine tool-augmented execution. To address these challenges, we propose Video-DR, featuring a decoupled perception-exploration pipeline with stage-wise tool unlocking that compels exhaustive cross-frame visual grounding prior to web retrieval. Our framework adopts a two-stage training recipe: supervised fine-tuning followed by Group Relative Policy Optimization (GRPO), enabling autonomous exploration that breaks the imitation-learning ceiling. Furthermore, we curate Video-DR-Bench, a human-AI collaborative benchmark comprising 200 complex, multi-hop VQA instances. Empirical results demonstrate that our Video-DeepResearch-35B-A3B establishes a new state-of-the-art of 64.0% average accuracy, surpassing proprietary Claude-4.5-Sonnet (59.0%) by 5.0 points and significantly outperforming GPT-5 (52.5%) and Gemini 2.5 Pro (57.5%). The 30B-A3B variant achieves 59.3%, competitive with Claude-4.5-Sonnet and demonstrating the effectiveness of our training paradigm even at compact scale. Code: https://github.com/Osilly/Vision-DeepResearch.

cs.CV↗
arXiv2026

SeekBrain: An Autonomous Multi-Agent System for Accelerating Neuroscience Discovery

Modern neuroscience relies on integrating multi-scale, multimodal datasets to uncover the neural principles underlying intelligence. However, analytical challenges posed by highly heterogeneous data and fragmented workflows increasingly constrain discoveries. Here we introduce SeekBrain, an autonomous multi-agent framework designed to accelerate neuroscience discovery through domain-grounded hierarchical planning and cross-modal data analysis. SeekBrain dynamically constructs a repertoire of analysis recipes extracted from code-paper pairs. By coupling this codified expertise with agentic planning and execution engines, the framework scalably generates hypotheses and analytical pipelines on demand. Systematic evaluation on the expert-annotated BrainArena benchmark demonstrates that SeekBrain substantially outperforms state-of-the-art agent baselines across various analysis tasks. Crucially, when deployed in real-world research, SeekBrain integrated behavioral, neural, and anatomical data to reveal structured, distributed neural representations of larval zebrafish behavior and a shared axis of regional decoding strength across the brain in a mouse decision-making task. These results establish SeekBrain as a scalable and practical tool for accelerating data-driven discoveries in neuroscience.

cs.MA↗
arXiv2026

LabRobFail: A Benchmark for Robotic Failure Analysis in Chemical Self-driving Laboratory

The deployment of embodied agents in self-driving laboratories could accelerate scientific discovery, yet their reliability is constrained by the irreversible and safety-critical nature of chemical experiments. Progress is further hindered by scarce failure data and the lack of fine-grained evaluation protocols. To address these challenges, we introduce LabRobFail, a failure-centric framework for learning and evaluating robotic failure analysis in chemical laboratories. LabRobFail-Sim injects controllable failures at the control, physics, and semantic levels, enabling the construction of LabRobFail-Data, which contains over 20,000 trajectories across 70+ task scenarios, five failure categories, and 11 fine-grained failure types. LabRobFail-Bench evaluates six capabilities spanning task understanding, failure detection, temporal localization, severity assessment, failure classification, and actionable correction. We further develop LabRobFail-VLM, a domain-specialized vision-language model that generates structured failure diagnoses and recovery instructions. On seen environments, it achieves 90.83% failure-detection accuracy and 77.21% temporal-localization accuracy, substantially outperforming general-purpose VLMs. When integrated as a real-time supervisor, it improves downstream task success rates by 4-16 percentage points, demonstrating the value of fine-grained failure understanding for closed-loop recovery and reliable laboratory autonomy. Our code and data are available at https://github.com/Su-ISE-2001/SciRobo

cs.RO↗
arXiv2026

AutoMat: Enabling Automated Crystal Structure Reconstruction from Microscopy via Agentic Tool Use

Reconstructing atomistic crystal structures from a single noisy STEM projection is an ill-posed inverse problem: multiple lattices can explain similar contrast, and purely feed-forward models cannot verify physical validity. We present AutoMat, a failure-aware agentic controller that performs inference-time hypothesis search with closed-loop verification to convert Scanning Transmission Electron Microscopy (STEM) images into simulation-ready crystal structures and downstream properties. AutoMat composes perception and physics modules---pattern-adaptive denoising, physics-guided template retrieval as a state-dependent auxiliary branch, symmetry-constrained atomic reconstruction, and MLIP-based relaxation/validation---and triggers rollback-and-retry when verification fails. For systematic evaluation, we introduce STEM2Mat-Bench, a benchmark dataset containing 450+ annotated samples. Performance is assessed using lattice root-mean-square deviation (RMSD), formation energy mean absolute error (MAE), and structure matching accuracy. Results demonstrate that AutoMat outperforms existing approaches including SOTA models, specialized domain tools, and closed-source multimodal large models. This work establishes a direct pathway from microscopic characterization to atomic-scale modeling, addressing a fundamental challenge in materials science.

cs.CV↗
arXiv2026

Accurate, Interdisciplinary and Transparent Structure-property Understanding with Deep Native Structural Reasoning

Structure-property relationships are foundational to biology, chemistry and materials science, where function, reactivity and physical response emerge from spatial, chemical and periodic organization. Mechanistically explaining these relationships requires interpreting structural evidence through scientific principles and physical constraints, from stereochemistry and bonding to symmetry, energetics and periodic order. However, applying artificial intelligence to this process presents a joint challenge of representation and reasoning: models must preserve domain-native structural information while showing how specific evidence supports predictions under these constraints. Here we introduce SciReasoner, a multimodal scientific foundation model for native structural reasoning across proteins, small molecules and inorganic crystals. SciReasoner discretizes coordinates, topologies and periodic connectivities into a unified structure-aware vocabulary, treating structural tokens as addressable evidence units during reasoning. In homology-controlled Gene Ontology prediction, SciReasoner improves Cellular Component annotation for low-homology and orphan-like proteins, increasing $F_{\max}$ from 0.42 to 0.55. In chemistry, it raises single-step retrosynthesis accuracy from 0.63 to 0.72 while generating fragment-level disconnection and precursor-verification traces. In materials science, its representations separate elemental and compound phases and resolve high- and low-band-gap regimes. Across 86 benchmarks, SciReasoner achieves state-of-the-art performance on 67 tasks. Double-blind expert evaluation rates its reasoning traces as preferred or at least comparable to those of a frontier large language model in 98% of cases. By making structure an inspectable substrate for reasoning under scientific constraints, SciReasoner connects accurate prediction with interpretable scientific inference.

cs.CL↗
arXiv2026

VASP Agent: An Agentic Framework for Autonomous First-principles Calculations

Large Language Models (LLMs) are increasingly embedded in agentic frameworks for scientific discovery. First-principles materials computation imposes a demanding standard for autonomy: successful execution depends on internally consistent inputs, supervision of long-running calculations, and verified outputs. Here we present VASP Agent, a coding-agent-centered system that combines reusable domain skills, deterministic tools, workspace-state inspection, runtime evidence, and scientific guardrails to execute multi-step VASP calculations. The system is evaluated across multiple tasks including structural relaxation, bandgap calculation, equilibrium lattice constant determination, and CO/Pt(111) adsorption. VASP Agent completes all evaluated cases, and its computed numerical results are compared with those obtained using pymatgen and other agentic tools. When large deviations occur, the calculation parameters produced by VASP Agent are more appropriate than those produced by LLM-based workflows. Failure analysis shows that errors that terminate fixed pipelines can be diagnosed and recovered under agentic control.

cs.AI↗
arXiv2026

PVCap: Towards Accurate 3D Dense Captioning via PseudoCap and VoxelCapNet

3D dense captioning, an emerging vision-language task, aims to generate descriptive sentences for each object in the 3D scene. Despite the impressive results achieved by previous methods, they suffer from two limitations. First, current research often employs global rigid transformations, such as rotation, to augment scenes without changing their spatial layouts. However, diverse spatial layouts are crucial for training a 3D dense captioning model to describe spatial relations between objects. Second, previous works mainly focus on the design of the caption generation pipeline while utilizing a simple network architecture for other components, i.e., backbone and detection head, which is crucial for extracting rich semantic information for captioning. In this paper, we propose PVCap to alleviate the aforementioned problems. Our PVCap consists of PseudoCap and VoxelCapNet. Specifically, PseudoCap employs a random mixing technique on instances within the dataset, generating numerous pseudo frames with diverse spatial layouts at the instance level. By utilizing a teacher-student framework, PseudoCap obtains pseudo caption labels for these pseudo frames. This data augmentation approach significantly increases the number of training samples and enhances the model's ability to describe the environment effectively. Regarding VoxelCapNet, we introduce a robust caption network that utilizes voxel features and adapts the caption head to the voxel-based network architecture. Our VoxelCapNet can serve as a competitive baseline for future research on 3D dense captioning. Extensive experiments are conducted on two prevalent benchmarks, i.e., ScanRefer and Nr3D. Notably, our method surpasses current state-of-the-art by 11.41% and 13.99% in CIDEr@0.5IoU, respectively. Codes will be made publicly available.

cs.CV↗
arXiv2026

ResearchClawBench: A Benchmark for End-to-End Autonomous Scientific Research

AI coding agents are increasingly used for scientific work, but their end-to-end autonomous research capability remains difficult to verify. We present ResearchClawBench, a benchmark for evaluating autonomous scientific research across 40 tasks from 10 scientific domains. Each task is grounded in a real published paper, provides related literature and raw data, and hides the target paper during evaluation. Expert-curated multimodal rubrics decompose the target scientific artifacts into weighted criteria, enabling evaluation of target-paper-level re-discovery while leaving room for new discovery. We evaluate seven autonomous research (auto-research) agents under a unified protocol and seventeen native LLMs through the lightweight ResearchHarness. Current systems remain far from reliable re-discovery: the strongest autonomous agent, Claude Code, averages 21.5, and the strongest ResearchHarness LLM, Claude-Opus-4.7, averages 20.7, with an LLM frontier mean of only 26.5. Error analysis shows that failures concentrate in experimental protocol mismatch, evidence mismatch, and missing scientific core. ResearchClawBench provides a reproducible evaluation frontier for measuring progress toward autonomous scientific research.

cs.LG↗
arXiv2026

BrainJanus: A Unified Model for Understanding and Generation across Brain, Vision, and Language

Modeling the bidirectional correspondence between external sensory stimuli and internal neural activity has emerged as a critical frontier in neuroscience. However, existing approaches predominantly treat brain encoding and decoding as isolated tasks, relying heavily on unimodal alignment and external priors while overlooking the brain's intrinsic nature as a multimodal integration system. To address these limitations, we propose BrainJanus, the first unified brain model that integrates brain, vision, and language within a single framework. Specifically, we introduce a Unified Brain Tokenizer to quantize continuous neural dynamics into discrete tokens aligned with visual and linguistic representations in a shared Omni space. Building on this, we utilize an All-in-One autoregressive architecture that leverages next-token prediction to enable seamless any-to-any generation, which encompasses image-to-brain and text-to-brain encoding, and brain-to-image and brain-to-text decoding. Extensive experiments demonstrate that BrainJanus achieves superior performance across diverse benchmarks. Furthermore, our framework exhibits zero-shot generalization and preserves interpretable biological topography, highlighting its potential as a general-purpose brain modeling paradigm. The code is available at \href{https://github.com/HaitaoWuTJU/BrainJanus}{GitHub}.

cs.CV↗
arXiv2026

Heterogeneous and Adept Snapshot Distillation for 3D Semantic Segmentation

Multi-modal fusion and multi-model ensembling are prevalent in enhancing the performance of 3D semantic segmentation. Despite the impressive performance, these methods either rely on auxiliary input signals or suffer from costly computational expense. To efficaciously enhance the segmentation performance without introducing intolerable costs, we propose to transfer the rich knowledge from the multi-modal model (i.e., point clouds and images) and multiple model experts to the point-cloudbased network through knowledge distillation. Specifically, we present Information-oriented Heterogeneous Distillation (IHD) to help the uni-modal model absorb the complementary knowledge from the multi-modal teacher. We design the Information-Oriented Filtering (IOF) strategy to select informative images from the continuous image sequence for multi-modal fusion. This practice can boost the performance of the multi-modal teacher, thus benefiting the learning of the student. Besides, as opposed to vanilla model ensembling that requires the separate training of each expert, we propose Adept Snapshot Distillation (ASD). ASD treats the freely available model snapshots generated during the training phase as multiple experts, which significantly reduces the training cost for model ensembling. For each expert teacher, it only provides supervision to the student in the class where it is adept. The resulting Heterogeneous and Adept Snapshot Knowledge Distillation, dubbed HAS-KD, attains state-of-the-art results on ScanNetV2 and S3DIS datasets. HAS-KD can be seamlessly integrated into contemporary 3D segmentation algorithms and bring considerable gains without introducing extra inference burdens. The code will be made publicly available upon publication.

cs.CV↗
arXiv2026

LabOSBench: Benchmarking Computer Use Agents for Scientific Instrument Control

Current computer-use benchmarks primarily focus on software operation tasks in virtualized systems, whereas scientific instrumentation scenarios require coordinated control over complex interfaces, and feedback-driven parameter adjustment. However, directly evaluating agents on physical high-precision instruments is impractical due to high cost, safety risks, limited accessibility, and difficulty in ensuring reproducible evaluation. This motivates the need for a simulated yet realistic testbed that preserves the operational challenges of scientific instruments while enabling scalable and safe benchmarking. To this end, we introduce LabOSBench, a challenging benchmark for multimodal GUI agents built on a suite of web-based scientific-instrument simulators. Operating directly via a browser, LabOSBench avoids resource-heavy OS virtualization while supporting flexible task configuration and execution-based evaluation. Specifically, LabOSBench constructs 96 subtasks across eight instrument simulators, covering workflows from sample loading, alignment, parameter tuning, and data acquisition to result inspection. We evaluate general-purpose vision-language models, specialized GUI agent models, and advanced agentic frameworks at both subtask and end-to-end levels. Our experiments reveal that while existing agents can complete many structured GUI subtasks, they still struggle with feedback-driven operations and long-horizon workflow execution. Overall, LabOSBench provides a reproducible, low-cost testbed for advancing computer-using agents toward scientific-instrument control.

cs.AI↗
arXiv2026

Causal Clothes-Invariant Feature Learning for Cloth-Changing Person Re-ID

In cloth-changing person re-identification (CCReID), it is critical to learn clothes-invariant feature, which can provide discriminative ID features that remain robust against clothing changes. However, a spurious correlation currently limits existing ReID methods from effectively extracting these clothing-invariant features. This spurious correlation arises from clothing ownership: clothing is rarely shared across different identities, so models tend to memorize clothing cues for identity recognition, and this strategy generalizes poorly to unseen clothing. In this paper, we propose Causal Clothes-Invariant Learning (CCIL), which explicitly shifts CC-ReID from likelihood learning P (Y|X) to causal intervention learning P (Y|do(X)) to block the clothing shortcut. CCIL realizes this intervention through three modules: a Confounder Dictionary, an Intervention Module, and Disentangle Regularization. The causality-based modeling makes the entire model naturally clothes-invariant, effectively preventing the capture of spurious correlations in feature learning. Extensive experiments validate the effectiveness of CCIL. On PRCC and DeepChange datasets, CCIL achieves Rank-1 accuracies of 66.4% and 59.2%, outperforming state-of-the-art methods by 1.4 and 4.1 percentage points, respectively.

cs.CV↗
arXiv2026

MotionGPT-2: A General-Purpose Motion-Language Model for Motion Generation and Understanding

Generating lifelike human motions from descriptive texts has experienced remarkable research focus in the recent years, propelled by the emerging requirements of digital humans.Despite impressive advances, existing approaches are often constrained by limited control modalities, task specificity, and focus solely on body motion representations.In this paper, we present MotionGPT-2, a unified Large Motion-Language Model (LMLM) that addresses these limitations. MotionGPT-2 accommodates multiple motion-relevant tasks and supporting multimodal control conditions through pre-trained Large Language Models (LLMs). It quantizes multimodal inputs-such as text and single-frame poses-into discrete, LLM-interpretable tokens, seamlessly integrating them into the LLM's vocabulary. These tokens are then organized into unified prompts, guiding the LLM to generate motion outputs through a pretraining-then-finetuning paradigm. We also show that the proposed MotionGPT-2 is highly adaptable to the challenging 3D holistic motion generation task, enabled by the innovative motion discretization framework, Part-Aware VQVAE, which ensures fine-grained representations of body and hand movements. Extensive experiments and visualizations validate the effectiveness of our method, demonstrating the adaptability of MotionGPT-2 across motion generation, motion captioning, and generalized motion completion tasks.

cs.CV↗
arXiv2026

AMix-1: A Pathway to Test-Time Scalable Protein Foundation Model

We introduce AMix-1, a powerful protein foundation model built on Bayesian Flow Networks and empowered by a systematic training methodology, encompassing pretraining scaling laws, emergent capability analysis, in-context learning mechanism, and test-time scaling algorithm. To guarantee robust scalability, we establish a predictive scaling law and reveal the progressive emergence of structural understanding via loss perspective, culminating in a strong 1.7-billion model. Building on this foundation, we devise a multiple sequence alignment (MSA)-based in-context learning strategy to unify protein design into a general framework, where AMix-1 recognizes deep evolutionary signals among MSAs and consistently generates structurally and functionally coherent proteins. This framework enables the successful design of a dramatically improved AmeR variant with an up to $50\times$ activity increase over its wild type. Pushing the boundaries of protein engineering, we further empower AMix-1 with an evolutionary test-time scaling algorithm for in silico directed evolution that delivers substantial, scalable performance gains as verification budgets are intensified, laying the groundwork for next-generation lab-in-the-loop protein design.

q-bio.BM↗
arXiv2026

Trans2Occ: Voxel Occupancy Estimation and Grasp for Transparent Objects from Simulation to Reality

Transparent objects remain challenging for robotic perception due to unreliable depth sensing caused by refraction and reflection. While prior approaches rely on multi-view reconstruction or depth completion, they are often difficult to scale or deploy in real-world robotic systems. In this paper, we present a practical framework for transparent object perception and manipulation based on single-view RGB input. Our approach predicts voxel-space occupancy directly from a single image, providing a geometry-aware representation that supports downstream robotic grasping. To enable large-scale training, we construct a simulation pipeline that generates paired RGB images and voxel occupancy annotations under diverse materials and lighting conditions. We demonstrate that the predicted occupancy representation is robust to domain shifts and transfers effectively from simulation to real-world robotic setups without fine-tuning. A simple rule-based grasping strategy built on top of the occupancy further achieves reliable grasp performance on transparent objects. Extensive experiments in both simulation and real-world environments show that our framework provides accurate 3D understanding and enables practical manipulation of transparent objects. These results suggest that single-view occupancy prediction offers a scalable and effective solution for transparent object perception in robotics.

cs.RO↗