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Wanhao Liu

Publications and source records attributed to Wanhao Liu.

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SurgLAT: Surgical Latent Attention Tracking for Depth-Aware Robotic Laparoscope Control

Autonomous laparoscopic camera control requires continuous understanding of the surgeon's operative intent in dynamic surgical scenes, where the target operative region is not a stable physical object but a latent and temporally evolving attention state. In this work, we present Surgical Latent Attention Tracking (SurgLAT), a causal online framework for latent surgical attention modeling and autonomous laparoscopic view control. SurgLAT uses a frozen DINOv3 encoder and a state-conditioned spatial token mixer to extract operative evidence under a memory-guided spatial prior, while a selective causal latent memory module jointly models short-term motion continuity and long-horizon surgical intent evolution through dynamic retrieval of current, recent, and historical latent states. The learned latent surgical attention state is decoded into a probabilistic attention heatmap and operative region for downstream endoscope guidance. Beyond perception, we further introduce a robotic deployment framework with explicit laparoscopic Remote Center of Motion (RCM) constrained control based on virtual-axis formulation, together with redundancy-aware null-space initialization for stable and smooth manipulator motion. We validate the full system on real laparoscopic surgical videos and a physical robotic laparoscope platform. Experimental results demonstrate robust online operative-region tracking and stable autonomous endoscopy adjustment under occlusion, rapid motion, and target transitions, highlighting the effectiveness of latent surgical intent modeling for surgical autonomy.

cs.AI

Surg-UniWorld: A Unified Surgical World Model with Multimodal Control Experts

Controllable surgical world models can provide a generative foundation for surgical artificial intelligence and simulation by synthesizing realistic instrument--tissue interactions. However, existing methods lack a unified multimodal control paradigm, while direct fusion of heterogeneous visual conditions often causes anatomical distortion, instrument appearance drift, and temporally inconsistent interactions. In this work, we propose {Surg-UniWorld}, a unified surgical world model with multimodal control experts. Surg-UniWorld first constructs a {Hierarchical Surgical Anchor} from first-frame appearance and hierarchical semantic masks to preserve persistent scene identity, anatomical organization, and interaction boundaries. {Anchor-Relative Modality Experts} then interpret edge, depth, and optical-flow evidence relative to the shared anchor, capturing complementary boundary, geometric, and motion information. A {Multimodal Control Expert} further performs contribution-preserving stage-wise composition of the activated modality increments and generates control hints for the Wan2.2 video diffusion backbone. To support multimodal surgical world modeling, we further construct Cholec80-SurgWAM, a benchmark for controllable surgical video generation. Extensive experiments demonstrate that Surg-UniWorld consistently outperforms existing controllable video generation methods and surgical world-model baselines in generation quality, temporal consistency, and multimodal controllability.

cs.AI

CrossScope: A Role-Asymmetric World Model for Joint Dual-Scope Surgical Video Prediction

Visual world models typically learn future dynamics from a single observation stream, limiting their ability to model cooperative systems with multiple independently moving observers. We investigate this challenge in Mother--Child endoscopic retrograde cholangiopancreatography (ERCP), where two flexible scopes provide complementary yet role-dependent views without a calibrated stereo relationship. Unlike conventional multi-view fusion that assumes symmetric information exchange, we formulate \textbf{role-asymmetric dual-scope future prediction}, where cross-view evidence is selectively transferred according to the prediction target and its underlying spatial requirements. We propose \textbf{CrossScope}, a dual-stream surgical world model that preserves view-specific experts while enabling target-specific evidence routing through geometry-guided residual interactions. CrossScope learns two complementary communication directions: geometric motion cues from the Mother view guide Child-view future dynamics, while pose-aligned Child appearance supports Mother-view prediction only when valid spatial correspondence is established. This design allows each scope to contribute task-relevant evidence without compromising its view-specific representation. To evaluate this problem, we establish a paired dual-scope benchmark comprising synchronized phantom and real-world ERCP episodes, with evaluations assessing visual fidelity, structural preservation, target localization, and motion consistency. Experiments demonstrate that CrossScope consistently outperforms strong surgical video generation baselines, validating the importance of role-aware evidence routing for multi-observer visual world modeling.

cs.CV

Reachability Is Not Realization: Tracing the Sources of LLM Benchmark Gains

Benchmark gains are often treated as evidence of greater LLM capability. Yet the same gain can reflect different changes in model behavior. A model may reach new answers, or produce answers that were already within reach. Aggregate scores do not distinguish these changes question by question. We establish a question-level audit under fixed budgets, temperatures, and answer formats. A question is realized when the default deployment procedure produces the correct answer. A question is reachable when a specified probe finds that answer within a fixed budget. We first test whether inference-time layer routing can expand reachability. Under a matched budget, random routes match or exceed structured search in all 43 model and task settings. Answer-blind procedures retain almost none of this gain, which instead requires access to the correct answer. We then ask why reachable answers sometimes fail to appear. Across six cases spanning 0.5B to 31B, silencing one identified MLP block repairs 68 to 92 percent of a predefined failure set. We next test whether training closes the gap by expanding reachability. In five of six matched evaluations, deployed performance rises while the reachable ceiling remains flat or falls. For DAPO, the deployed score rises by 14.7 points while the reachable ceiling falls by 13.3 points. Across the settings we audit, realization and reachability therefore do not always change together. Claims of capability expansion should report both realized performance and reachability under matched evaluation conditions. Code is available at https://github.com/LiZaiyuan0619/reachability-not-realization

cs.AI

NCGR: Noise-Conditional Gated Rectification for Camera Extrinsic Perturbations in BEV 3D Object Detection

Camera-based bird's-eye-view (BEV) 3D detection typically assumes accurate and fixed camera extrinsics. In detectors using spatial cross-attention (SCA), extrinsic perturbations displace the image-plane projections of BEV reference points, causing queries to sample features from incorrect regions and degrading detection performance. To address this failure mode, Noise-Conditional Gated Rectification (NCGR) is proposed to compensate for projection errors without explicitly estimating a full six-degree-of-freedom extrinsic correction. For each query-camera pair, a 2D rectification offset is predicted and modulated by a camera-level gate to rectify the base projection before native deformable sampling. During training, the perturbation-derived quantities used to construct the condition and gate are gradually replaced through scheduled interpolation by counterparts generated from an auxiliary scalar predicted from camera features. This transition enables blind inference without perturbation metadata. During training, a weight-shared clean-teacher/perturbed-student pair is used, and the rectification module is supervised by a BEV-consistency objective between the two branches. NCGR is evaluated on nuScenes with simulated dynamic and static extrinsic perturbations. In a five-camera dynamic stress test, NCGR achieves 39.69% NDS, compared with 28.00% for BEVFormer and 33.23% for CAPE. Under clean extrinsics, NCGR maintains performance comparable to that of BEVFormer.

cs.CV

Disagree to Accelerate: Closing the Loop on Diffusion Feature Forecasts

Training-free feature forecasting accelerates diffusion sampling by predicting features at skipped denoising steps. Recent work has mainly focused on designing stronger forecasters. Yet forecast error varies sharply across steps, and open-loop caches trust the forecast in full at every skipped step. This fixed trust is what breaks as acceleration turns aggressive. The missing question is not only how to forecast better, but when and how much to trust a forecast. We show that reliability can be observed from the cache itself. Two forecasts agree where the feature trajectory is smooth, and they diverge where prediction turns hard. Their disagreement is a cheap runtime signal, and it costs no extra denoiser evaluation. Based on this signal, we introduce RACER, a training-free closed-loop controller with two responses. It continuously shrinks uncertain forecasts toward the last computed feature. At the riskiest steps, RACER refreshes the feature and repays the added evaluation by skipping a later scheduled one. We derive a deterministic error bound for the shrinkage and empirically evaluate its validity and tightness across acceleration regimes. At the same number of denoiser evaluations, RACER improves the strongest open-loop baseline across SD3.5-Large, FLUX.1-dev, Wan2.1-14B, and HunyuanVideo on DrawBench, VBench, and COCO. On SD3.5, we further show that RACER samples faster at equal quality. RACER generalizes across forecasting designs as well. For example, it recovers much of the quality lost on a Taylor base. These results show that reliable diffusion acceleration also depends on how forecasts are used. Code is available at https://github.com/LiZaiyuan0619/RACER

cs.LG

EndoWAM: A Grounded World-Action Model for Generalizable Endoscopic Navigation

Autonomous endoscopic navigation can reduce clinicians' operational burden, yet robust control remains challenging due to tissue deformation, transient occlusions, and rapidly changing viewpoints. Existing learning-based policies typically predict actions from current observations without explicitly modeling future dynamics, limiting their robustness and reliability in safety-critical settings. World Action Models (WAMs) offer a promising alternative by coupling predictive visual dynamics with action generation, but extending them to robotic endoscopy remains challenging due to limited training data, restricted viewpoint diversity, deformable anatomy, and high inference latency. We present EndoWAM, which is, to our knowledge, the first WAM for generalizable robotic endoscopic navigation. EndoWAM introduces future grounding, which predicts task-relevant target regions in future observations from intermediate denoising features of a video world model. Specifically, EndoWAM couples a lightweight diffusion transformer for future target-region prediction with a discrete action expert through a shared predictive representation. This design injects target-aware supervision into predictive dynamics modeling, improving robustness to visual degradation and viewpoint changes while enabling real-time control in a single denoising pass. We further introduce EndoMotion, a robotic endoscopic motion dataset spanning three anatomically distinct procedures: ureteroscopy, esophagoscopy, and endoscopic retrograde cholangiopancreatography (ERCP). EndoWAM consistently outperforms all baselines and alternative grounding strategies, while demonstrating strong zero-shot generalization to unseen viewpoints, environments, and targets. These results establish EndoWAM as a predictive, target-grounded framework for accurate, generalizable, and long-horizon navigation in visually constrained endoscopic environments.

cs.RO

SkillsInjector: Dynamic Skill Context Construction for LLM Agents

LLM agents now draw on growing skill libraries to handle complex tasks. However, injecting more skills does not always improve task completion and can even degrade it. Existing methods still treat skill injection as a static step, selecting skills with fixed criteria, fixing the budget in advance, and leaving descriptions unchanged. We argue that this static treatment can undermine the utility of skills, because which skills are exposed, how many are included, and how they are presented all affect downstream performance. We propose SkillsInjector, a two-stage adaptive method that jointly addresses these decisions. First, a context planner learns execution-grounded skill preferences and admits an adaptive number of skills for each task. A set-aware renderer then tailors how selected descriptions are presented relative to their co-injected neighbors. Across tau2-bench, SkillsBench, and ALFWorld, SkillsInjector achieves the highest score, improving over the strongest baseline by 3.9, 6.1, and 7.3 percentage points, respectively. Ablation studies show that skill selection, adaptive budgeting, and set-aware rendering each contribute to the gain. These results show that skill-augmented agents benefit from optimizing the injected context itself. Code will be released upon publication

cs.AI

OmniMatBench: A Human-Calibrated Multimodal Reasoning Benchmark Across 19 Materials Science Subfields

As multimodal language models play an increasingly important role in scientific research, materials science offers a critical testbed due to its interdisciplinary, multimodal, and application-driven nature. However, existing materials benchmarks mainly focus on property prediction, knowledge QA, or characterization understanding, leaving the broader reasoning process from materials knowledge to application underexplored. To fill this gap, we present OmniMatBench, a human-calibrated multimodal reasoning benchmark for materials science. OmniMatBench contains 3,171 expert-curated QA and calculation problems across 19 materials-science subfields, spanning fundamental materials knowledge, structural and engineering materials, materials processing and manufacturing, and functional and applied materials. We evaluate 13 open-source and closed-source MLLMs and find that the best model achieves only a 0.372 overall score, revealing a substantial gap in current materials-science reasoning. Further analysis shows strong variation across subfields, fixed reasoning heuristics, uneven materials knowledge, and limited high-level knowledge application under formula-, retrieval-, and code-assisted settings. OmniMatBench provides crucial insights into the capabilities and limitations of current MLLMs and establishes a foundation for reliable AI assistants in materials-science research.

cs.AI

PolyReal: A Benchmark for Real-World Polymer Science Workflows

Multimodal Large Language Models (MLLMs) excel in general domains but struggle with complex, real-world science. We posit that polymer science, an interdisciplinary field spanning chemistry, physics, biology, and engineering, is an ideal high-stakes testbed due to its diverse multimodal data. Yet, existing benchmarks related to polymer science largely overlook real-world workflows, limiting their practical utility and failing to systematically evaluate MLLMs across the full, practice-grounded lifecycle of experimentation. We introduce PolyReal, a novel multimodal benchmark grounded in real-world scientific practices to evaluate MLLMs on the full lifecycle of polymer experimentation. It covers five critical capabilities: (1) foundational knowledge application; (2) lab safety analysis; (3) experiment mechanism reasoning; (4) raw data extraction; and (5) performance & application exploration. Our evaluation of leading MLLMs on PolyReal reveals a capability imbalance. While models perform well on knowledge-intensive reasoning (e.g., Experiment Mechanism Reasoning), they drop sharply on practice-based tasks (e.g., Lab Safety Analysis and Raw Data Extraction). This exposes a severe gap between abstract scientific knowledge and its practical, context-dependent application, showing that these real-world tasks remain challenging for MLLMs. Thus, PolyReal helps address this evaluation gap and provides a practical benchmark for assessing AI systems in real-world scientific workflows.

cs.CV

AC-MASAC: An Attentive Curriculum Learning Framework for Heterogeneous UAV Swarm Coordination

Cooperative path planning for heterogeneous UAV swarms poses significant challenges for Multi-Agent Reinforcement Learning (MARL), particularly in handling asymmetric inter-agent dependencies and addressing the risks of sparse rewards and catastrophic forgetting during training. To address these issues, this paper proposes an attentive curriculum learning framework (AC-MASAC). The framework introduces a role-aware heterogeneous attention mechanism to explicitly model asymmetric dependencies. Moreover, a structured curriculum strategy is designed, integrating hierarchical knowledge transfer and stage-proportional experience replay to address the issues of sparse rewards and catastrophic forgetting. The proposed framework is validated on a custom multi-agent simulation platform, and the results show that our method has significant advantages over other advanced methods in terms of Success Rate, Formation Keeping Rate, and Success-weighted Mission Time. The code is available at \textcolor{red}{https://github.com/Wanhao-Liu/AC-MASAC}.

cs.RO

MolAct: An Agentic RL Framework for Molecular Editing and Property Optimization

Molecular editing and optimization are multi-step problems that require iteratively improving properties while keeping molecules chemically valid and structurally similar. We frame both tasks as sequential, tool-guided decisions and introduce MolAct, an agentic reinforcement learning framework that employs a two-stage training paradigm: first building editing capability, then optimizing properties while reusing the learned editing behaviors. To the best of our knowledge, this is the first work to formalize molecular design as an Agentic Reinforcement Learning problem, where an LLM agent learns to interleave reasoning, tool-use, and molecular optimization. The framework enables agents to interact in multiple turns, invoking chemical tools for validity checking, property assessment, and similarity control, and leverages their feedback to refine subsequent edits. We instantiate the MolAct framework to train two model families: MolEditAgent for molecular editing tasks and MolOptAgent for molecular optimization tasks. In molecular editing, MolEditAgent-7B delivers 100, 95, and 98 valid add, delete, and substitute edits, outperforming strong closed "thinking" baselines such as DeepSeek-R1; MolEditAgent-3B approaches the performance of much larger open "thinking" models like Qwen3-32B-think. In molecular optimization, MolOptAgent-7B (trained on MolEditAgent-7B) surpasses the best closed "thinking" baseline (e.g., Claude 3.7) on LogP and remains competitive on solubility, while maintaining balanced performance across other objectives. These results highlight that treating molecular design as a multi-step, tool-augmented process is key to reliable and interpretable improvements.

cs.AI

Probing Scientific General Intelligence of LLMs with Scientist-Aligned Workflows

Despite advances in scientific AI, a coherent framework for Scientific General Intelligence (SGI)-the ability to autonomously conceive, investigate, and reason across scientific domains-remains lacking. We present an operational SGI definition grounded in the Practical Inquiry Model (PIM: Deliberation, Conception, Action, Perception) and operationalize it via four scientist-aligned tasks: deep research, idea generation, dry/wet experiments, and experimental reasoning. SGI-Bench comprises over 1,000 expert-curated, cross-disciplinary samples inspired by Science's 125 Big Questions, enabling systematic evaluation of state-of-the-art LLMs. Results reveal gaps: low exact match (10--20%) in deep research despite step-level alignment; ideas lacking feasibility and detail; high code executability but low execution result accuracy in dry experiments; low sequence fidelity in wet protocols; and persistent multimodal comparative-reasoning challenges. We further introduce Test-Time Reinforcement Learning (TTRL), which optimizes retrieval-augmented novelty rewards at inference, enhancing hypothesis novelty without reference answer. Together, our PIM-grounded definition, workflow-centric benchmark, and empirical insights establish a foundation for AI systems that genuinely participate in scientific discovery.

cs.AI

Chem-R: Learning to Reason as a Chemist

Although large language models (LLMs) have significant potential to advance chemical discovery, current LLMs lack core chemical knowledge, produce unreliable reasoning trajectories, and exhibit suboptimal performance across diverse chemical tasks. To address these challenges, we propose Chem-R, a generalizable Chemical Reasoning model designed to emulate the deliberative processes of chemists. Chem-R is trained through a three-phase framework that progressively builds advanced reasoning capabilities, including: 1) Chemical Foundation Training, which establishes core chemical knowledge. 2) Chemical Reasoning Protocol Distillation, incorporating structured, expert-like reasoning traces to guide systematic and reliable problem solving. 3) Multi-task Group Relative Policy Optimization that optimizes the model for balanced performance across diverse molecular- and reaction-level tasks. This structured pipeline enables Chem-R to achieve state-of-the-art performance on comprehensive benchmarks, surpassing leading large language models, including Gemini-2.5-Pro and DeepSeek-R1, by up to 32% on molecular tasks and 48% on reaction tasks. Meanwhile, Chem-R also consistently outperforms the existing chemical foundation models across both molecular and reaction level tasks. These results highlight Chem-R's robust generalization, interpretability, and potential as a foundation for next-generation AI-driven chemical discovery. The code and model are available at https://github.com/davidweidawang/Chem-R.

cs.CE

MOOSE-Chem2: Exploring LLM Limits in Fine-Grained Scientific Hypothesis Discovery via Hierarchical Search

Large language models (LLMs) have shown promise in automating scientific hypothesis generation, yet existing approaches primarily yield coarse-grained hypotheses lacking critical methodological and experimental details. We introduce and formally define the new task of fine-grained scientific hypothesis discovery, which entails generating detailed, experimentally actionable hypotheses from coarse initial research directions. We frame this as a combinatorial optimization problem and investigate the upper limits of LLMs' capacity to solve it when maximally leveraged. Specifically, we explore four foundational questions: (1) how to best harness an LLM's internal heuristics to formulate the fine-grained hypothesis it itself would judge as the most promising among all the possible hypotheses it might generate, based on its own internal scoring-thus defining a latent reward landscape over the hypothesis space; (2) whether such LLM-judged better hypotheses exhibit stronger alignment with ground-truth hypotheses; (3) whether shaping the reward landscape using an ensemble of diverse LLMs of similar capacity yields better outcomes than defining it with repeated instances of the strongest LLM among them; and (4) whether an ensemble of identical LLMs provides a more reliable reward landscape than a single LLM. To address these questions, we propose a hierarchical search method that incrementally proposes and integrates details into the hypothesis, progressing from general concepts to specific experimental configurations. We show that this hierarchical process smooths the reward landscape and enables more effective optimization. Empirical evaluations on a new benchmark of expert-annotated fine-grained hypotheses from recent literature show that our method consistently outperforms strong baselines.

cs.CL

MOOSE-Chem3: Toward Experiment-Guided Hypothesis Ranking via Simulated Experimental Feedback

Hypothesis ranking is vital for automated scientific discovery, especially in cost-intensive, throughput-limited natural science domains. Current methods focus on pre-experiment ranking, relying solely on language model reasoning without empirical feedback. We introduce experiment-guided ranking, which prioritizes hypotheses based on feedback from prior tests. Due to the impracticality of real experiments, we propose a simulator grounded in domain-specific concepts that models hypothesis performance as a function of similarity to a hidden ground truth, perturbed by noise. Validated against 124 hypotheses with experimentally reported outcomes, the simulator approximates real results with consistent trend alignment. Although deviations exist, they mimic wet-lab noise, promoting more robust ranking strategies. We frame experiment-guided ranking as a sequential decision-making problem and propose an in-context reinforcement learning (ICRL) framework. Our LLM-based policy decomposes hypotheses into functional elements, clusters them by mechanistic roles, and prioritizes recombinations based on feedback. Experiments show our approach significantly outperforms pre-experiment baselines and strong ablations. Our toolkit, comprising the simulator and ICRL framework, enables systematic research on experiment-guided ranking, with the policy serving as a strong proof of concept.

cs.CL

ChemMLLM: Chemical Multimodal Large Language Model

Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, we propose ChemMLLM, a unified chemical multimodal large language model for molecule understanding and generation. Also, we design five multimodal tasks across text, molecular SMILES strings, and image, and curate the datasets. We benchmark ChemMLLM against a range of general leading MLLMs and Chemical LLMs on these tasks. Experimental results show that ChemMLLM achieves superior performance across all evaluated tasks. For example, in molecule image optimization task, ChemMLLM outperforms the best baseline (GPT-4o) by 116.75\% (4.27 vs 1.97 property improvement). The code is publicly available at https://github.com/bbsbz/ChemMLLM.git.

cs.LG

MOOSE-Chem: Large Language Models for Rediscovering Unseen Chemistry Scientific Hypotheses

Scientific discovery plays a pivotal role in advancing human society, and recent progress in large language models (LLMs) suggests their potential to accelerate this process. However, it remains unclear whether LLMs can autonomously generate novel and valid hypotheses in chemistry. In this work, we investigate whether LLMs can discover high-quality chemistry hypotheses given only a research background-comprising a question and/or a survey-without restriction on the domain of the question. We begin with the observation that hypothesis discovery is a seemingly intractable task. To address this, we propose a formal mathematical decomposition grounded in a fundamental assumption: that most chemistry hypotheses can be composed from a research background and a set of inspirations. This decomposition leads to three practical subtasks-retrieving inspirations, composing hypotheses with inspirations, and ranking hypotheses - which together constitute a sufficient set of subtasks for the overall scientific discovery task. We further develop an agentic LLM framework, MOOSE-Chem, that is a direct implementation of this mathematical decomposition. To evaluate this framework, we construct a benchmark of 51 high-impact chemistry papers published and online after January 2024, each manually annotated by PhD chemists with background, inspirations, and hypothesis. The framework is able to rediscover many hypotheses with high similarity to the groundtruth, successfully capturing the core innovations-while ensuring no data contamination since it uses an LLM with knowledge cutoff date prior to 2024. Finally, based on LLM's surprisingly high accuracy on inspiration retrieval, a task with inherently out-of-distribution nature, we propose a bold assumption: that LLMs may already encode latent scientific knowledge associations not yet recognized by humans.

cs.CL