School of Artificial Intelligence, Shanghai Jiao Tong University
Abstract:Open-source scientific software is abundant, yet most tools remain difficult to compile, configure, and reuse, sustaining a small-workshop mode of scientific computing. This deployment bottleneck limits reproducibility, large-scale evaluation, and the practical integration of scientific tools into modern AI-for-Science (AI4S) and agentic workflows. We present Deploy-Master, a one-stop agentic workflow for large-scale tool discovery, build specification inference, execution-based validation, and publication. Guided by a taxonomy spanning 90+ scientific and engineering domains, our discovery stage starts from a recall-oriented pool of over 500,000 public repositories and progressively filters it to 52,550 executable tool candidates under license- and quality-aware criteria. Deploy-Master transforms heterogeneous open-source repositories into runnable, containerized capabilities grounded in execution rather than documentation claims. In a single day, we performed 52,550 build attempts and constructed reproducible runtime environments for 50,112 scientific tools. Each successful tool is validated by a minimal executable command and registered in SciencePedia for search and reuse, enabling direct human use and optional agent-based invocation. Beyond delivering runnable tools, we report a deployment trace at the scale of 50,000 tools, characterizing throughput, cost profiles, failure surfaces, and specification uncertainty that become visible only at scale. These results explain why scientific software remains difficult to operationalize and motivate shared, observable execution substrates as a foundation for scalable AI4S and agentic science.




Abstract:AI agents are emerging as a practical way to run multi-step scientific workflows that interleave reasoning with tool use and verification, pointing to a shift from isolated AI-assisted steps toward \emph{agentic science at scale}. This shift is increasingly feasible, as scientific tools and models can be invoked through stable interfaces and verified with recorded execution traces, and increasingly necessary, as AI accelerates scientific output and stresses the peer-review and publication pipeline, raising the bar for traceability and credible evaluation. However, scaling agentic science remains difficult: workflows are hard to observe and reproduce; many tools and laboratory systems are not agent-ready; execution is hard to trace and govern; and prototype AI Scientist systems are often bespoke, limiting reuse and systematic improvement from real workflow signals. We argue that scaling agentic science requires an infrastructure-and-ecosystem approach, instantiated in Bohrium+SciMaster. Bohrium acts as a managed, traceable hub for AI4S assets -- akin to a HuggingFace of AI for Science -- that turns diverse scientific data, software, compute, and laboratory systems into agent-ready capabilities. SciMaster orchestrates these capabilities into long-horizon scientific workflows, on which scientific agents can be composed and executed. Between infrastructure and orchestration, a \emph{scientific intelligence substrate} organizes reusable models, knowledge, and components into executable building blocks for workflow reasoning and action, enabling composition, auditability, and improvement through use. We demonstrate this stack with eleven representative master agents in real workflows, achieving orders-of-magnitude reductions in end-to-end scientific cycle time and generating execution-grounded signals from real workloads at multi-million scale.
Abstract:Advances in LLMs have produced agents with knowledge and operational capabilities comparable to human scientists, suggesting potential to assist, accelerate, and automate research. However, existing studies mainly evaluate such systems on well-defined benchmarks or general tasks like literature retrieval, limiting their end-to-end problem-solving ability in open scientific scenarios. This is particularly true in physics, which is abstract, mathematically intensive, and requires integrating analytical reasoning with code-based computation. To address this, we propose PhysMaster, an LLM-based agent functioning as an autonomous theoretical and computational physicist. PhysMaster couples absract reasoning with numerical computation and leverages LANDAU, the Layered Academic Data Universe, which preserves retrieved literature, curated prior knowledge, and validated methodological traces, enhancing decision reliability and stability. It also employs an adaptive exploration strategy balancing efficiency and open-ended exploration, enabling robust performance in ultra-long-horizon tasks. We evaluate PhysMaster on problems from high-energy theory, condensed matter theory to astrophysics, including: (i) acceleration, compressing labor-intensive research from months to hours; (ii) automation, autonomously executing hypothesis-driven loops ; and (iii) autonomous discovery, independently exploring open problems.




Abstract:Data scaling has long remained a critical bottleneck in robot learning. For humanoid robots, human videos and motion data are abundant and widely available, offering a free and large-scale data source. Besides, the semantics related to the motions enable modality alignment and high-level robot control learning. However, how to effectively mine raw video, extract robot-learnable representations, and leverage them for scalable learning remains an open problem. To address this, we introduce Humanoid-Union, a large-scale dataset generated through an autonomous pipeline, comprising over 260 hours of diverse, high-quality humanoid robot motion data with semantic annotations derived from human motion videos. The dataset can be further expanded via the same pipeline. Building on this data resource, we propose SCHUR, a scalable learning framework designed to explore the impact of large-scale data on high-level control in humanoid robots. Experimental results demonstrate that SCHUR achieves high robot motion generation quality and strong text-motion alignment under data and model scaling, with 37\% reconstruction improvement under MPJPE and 25\% alignment improvement under FID comparing with previous methods. Its effectiveness is further validated through deployment in real-world humanoid robot.




Abstract:Humanoid whole-body control (WBC) policies trained in simulation often suffer from the sim-to-real gap, which fundamentally arises from simulator inductive bias, the inherent assumptions and limitations of any single simulator. These biases lead to nontrivial discrepancies both across simulators and between simulation and the real world. To mitigate the effect of simulator inductive bias, the key idea is to train policies jointly across multiple simulators, encouraging the learned controller to capture dynamics that generalize beyond any single simulator's assumptions. We thus introduce PolySim, a WBC training platform that integrates multiple heterogeneous simulators. PolySim can launch parallel environments from different engines simultaneously within a single training run, thereby realizing dynamics-level domain randomization. Theoretically, we show that PolySim yields a tighter upper bound on simulator inductive bias than single-simulator training. In experiments, PolySim substantially reduces motion-tracking error in sim-to-sim evaluations; for example, on MuJoCo, it improves execution success by 52.8 over an IsaacSim baseline. PolySim further enables zero-shot deployment on a real Unitree G1 without additional fine-tuning, showing effective transfer from simulation to the real world. We will release the PolySim code upon acceptance of this work.
Abstract:Information seeking is a fundamental requirement for humans. However, existing LLM agents rely heavily on open-web search, which exposes two fundamental weaknesses: online content is noisy and unreliable, and many real-world tasks require precise, domain-specific knowledge unavailable from the web. The emergence of the Model Context Protocol (MCP) now allows agents to interface with thousands of specialized tools, seemingly resolving this limitation. Yet it remains unclear whether agents can effectively leverage such tools -- and more importantly, whether they can integrate them with general-purpose search to solve complex tasks. Therefore, we introduce InfoMosaic-Bench, the first benchmark dedicated to multi-source information seeking in tool-augmented agents. Covering six representative domains (medicine, finance, maps, video, web, and multi-domain integration), InfoMosaic-Bench requires agents to combine general-purpose search with domain-specific tools. Tasks are synthesized with InfoMosaic-Flow, a scalable pipeline that grounds task conditions in verified tool outputs, enforces cross-source dependencies, and filters out shortcut cases solvable by trivial lookup. This design guarantees both reliability and non-triviality. Experiments with 14 state-of-the-art LLM agents reveal three findings: (i) web information alone is insufficient, with GPT-5 achieving only 38.2% accuracy and 67.5% pass rate; (ii) domain tools provide selective but inconsistent benefits, improving some domains while degrading others; and (iii) 22.4% of failures arise from incorrect tool usage or selection, highlighting that current LLMs still struggle with even basic tool handling.




Abstract:Collaborative perception emphasizes enhancing environmental understanding by enabling multiple agents to share visual information with limited bandwidth resources. While prior work has explored the empirical trade-off between task performance and communication volume, a significant gap remains in the theoretical foundation. To fill this gap, we draw on information theory and introduce a pragmatic rate-distortion theory for multi-agent collaboration, specifically formulated to analyze performance-communication trade-off in goal-oriented multi-agent systems. This theory concretizes two key conditions for designing optimal communication strategies: supplying pragmatically relevant information and transmitting redundancy-less messages. Guided by these two conditions, we propose RDcomm, a communication-efficient collaborative perception framework that introduces two key innovations: i) task entropy discrete coding, which assigns features with task-relevant codeword-lengths to maximize the efficiency in supplying pragmatic information; ii) mutual-information-driven message selection, which utilizes mutual information neural estimation to approach the optimal redundancy-less condition. Experiments on 3D object detection and BEV segmentation demonstrate that RDcomm achieves state-of-the-art accuracy on DAIR-V2X and OPV2V, while reducing communication volume by up to 108 times. The code will be released.
Abstract:Effective information seeking in the vast and ever-growing digital landscape requires balancing expansive search with strategic reasoning. Current large language model (LLM)-based agents struggle to achieve this balance due to limitations in search breadth and reasoning depth, where slow, serial querying restricts coverage of relevant sources and noisy raw inputs disrupt the continuity of multi-step reasoning. To address these challenges, we propose BrowseMaster, a scalable framework built around a programmatically augmented planner-executor agent pair. The planner formulates and adapts search strategies based on task constraints, while the executor conducts efficient, targeted retrieval to supply the planner with concise, relevant evidence. This division of labor preserves coherent, long-horizon reasoning while sustaining broad and systematic exploration, overcoming the trade-off that limits existing agents. Extensive experiments on challenging English and Chinese benchmarks show that BrowseMaster consistently outperforms open-source and proprietary baselines, achieving scores of 30.0 on BrowseComp-en and 46.5 on BrowseComp-zh, which demonstrates its strong capability in complex, reasoning-heavy information-seeking tasks at scale.
Abstract:Collaborative 3D detection can substantially boost detection performance by allowing agents to exchange complementary information. It inherently results in a fundamental trade-off between detection performance and communication bandwidth. To tackle this bottleneck issue, we propose a novel hybrid collaboration that adaptively integrates two types of communication messages: perceptual outputs, which are compact, and raw observations, which offer richer information. This approach focuses on two key aspects: i) integrating complementary information from two message types and ii) prioritizing the most critical data within each type. By adaptively selecting the most critical set of messages, it ensures optimal perceptual information and adaptability, effectively meeting the demands of diverse communication scenarios.Building on this hybrid collaboration, we present \texttt{HyComm}, a communication-efficient LiDAR-based collaborative 3D detection system. \texttt{HyComm} boasts two main benefits: i) it facilitates adaptable compression rates for messages, addressing various communication requirements, and ii) it uses standardized data formats for messages. This ensures they are independent of specific detection models, fostering adaptability across different agent configurations. To evaluate HyComm, we conduct experiments on both real-world and simulation datasets: DAIR-V2X and OPV2V. HyComm consistently outperforms previous methods and achieves a superior performance-bandwidth trade-off regardless of whether agents use the same or varied detection models. It achieves a lower communication volume of more than 2,006$\times$ and still outperforms Where2comm on DAIR-V2X in terms of AP50. The related code will be released.
Abstract:The emergence of large language model (LLM)-based agents has significantly advanced the development of autonomous machine learning (ML) engineering. However, most existing approaches rely heavily on manual prompt engineering, failing to adapt and optimize based on diverse experimental experiences. Focusing on this, for the first time, we explore the paradigm of learning-based agentic ML, where an LLM agent learns through interactive experimentation on ML tasks using online reinforcement learning (RL). To realize this, we propose a novel agentic ML training framework with three key components: (1) exploration-enriched fine-tuning, which enables LLM agents to generate diverse actions for enhanced RL exploration; (2) step-wise RL, which enables training on a single action step, accelerating experience collection and improving training efficiency; (3) an agentic ML-specific reward module, which unifies varied ML feedback signals into consistent rewards for RL optimization. Leveraging this framework, we train ML-Agent, driven by a 7B-sized Qwen-2.5 LLM for autonomous ML. Remarkably, despite being trained on merely 9 ML tasks, our 7B-sized ML-Agent outperforms the 671B-sized DeepSeek-R1 agent. Furthermore, it achieves continuous performance improvements and demonstrates exceptional cross-task generalization capabilities.