School of Artificial Intelligence, Shanghai Jiao Tong University




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:Due to the long-range modeling ability and linear complexity property, Mamba has attracted considerable attention in point cloud analysis. Despite some interesting progress, related work still suffers from imperfect point cloud serialization, insufficient high-level geometric perception, and overfitting of the selective state space model (S6) at the core of Mamba. To this end, we resort to an SSM-based point cloud network termed CloudMamba to address the above challenges. Specifically, we propose sequence expanding and sequence merging, where the former serializes points along each axis separately and the latter serves to fuse the corresponding higher-order features causally inferred from different sequences, enabling unordered point sets to adapt more stably to the causal nature of Mamba without parameters. Meanwhile, we design chainedMamba that chains the forward and backward processes in the parallel bidirectional Mamba, capturing high-level geometric information during scanning. In addition, we propose a grouped selective state space model (GS6) via parameter sharing on S6, alleviating the overfitting problem caused by the computational mode in S6. Experiments on various point cloud tasks validate CloudMamba's ability to achieve state-of-the-art results with significantly less complexity.




Abstract:Transcending human cognitive limitations represents a critical frontier in LLM training. Proprietary agentic systems like DeepResearch have demonstrated superhuman capabilities on extremely complex information-seeking benchmarks such as BrowseComp, a feat previously unattainable. We posit that their success hinges on a sophisticated reasoning pattern absent in open-source models: the ability to systematically reduce extreme uncertainty when navigating vast information landscapes. Based on this insight, we introduce WebSailor, a complete post-training methodology designed to instill this crucial capability. Our approach involves generating novel, high-uncertainty tasks through structured sampling and information obfuscation, RFT cold start, and an efficient agentic RL training algorithm, Duplicating Sampling Policy Optimization (DUPO). With this integrated pipeline, WebSailor significantly outperforms all open-source agents in complex information-seeking tasks, matching proprietary agents' performance and closing the capability gap.
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: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.
Abstract:LLM-based multi-agent systems (MAS) have demonstrated significant potential in enhancing single LLMs to address complex and diverse tasks in practical applications. Despite considerable advancements, the field lacks a unified codebase that consolidates existing methods, resulting in redundant re-implementation efforts, unfair comparisons, and high entry barriers for researchers. To address these challenges, we introduce MASLab, a unified, comprehensive, and research-friendly codebase for LLM-based MAS. (1) MASLab integrates over 20 established methods across multiple domains, each rigorously validated by comparing step-by-step outputs with its official implementation. (2) MASLab provides a unified environment with various benchmarks for fair comparisons among methods, ensuring consistent inputs and standardized evaluation protocols. (3) MASLab implements methods within a shared streamlined structure, lowering the barriers for understanding and extension. Building on MASLab, we conduct extensive experiments covering 10+ benchmarks and 8 models, offering researchers a clear and comprehensive view of the current landscape of MAS methods. MASLab will continue to evolve, tracking the latest developments in the field, and invite contributions from the broader open-source community.




Abstract:LLM-based multi-agent systems (MAS) extend the capabilities of single LLMs by enabling cooperation among multiple specialized agents. However, most existing MAS frameworks rely on a single LLM to drive all agents, constraining the system's intelligence to the limit of that model. This paper explores the paradigm of heterogeneous LLM-driven MAS (X-MAS), where agents are powered by diverse LLMs, elevating the system's potential to the collective intelligence of diverse LLMs. We introduce X-MAS-Bench, a comprehensive testbed designed to evaluate the performance of various LLMs across different domains and MAS-related functions. As an extensive empirical study, we assess 27 LLMs across 5 domains (encompassing 21 test sets) and 5 functions, conducting over 1.7 million evaluations to identify optimal model selections for each domain-function combination. Building on these findings, we demonstrate that transitioning from homogeneous to heterogeneous LLM-driven MAS can significantly enhance system performance without requiring structural redesign. Specifically, in a chatbot-only MAS scenario, the heterogeneous configuration yields up to 8.4\% performance improvement on the MATH dataset. In a mixed chatbot-reasoner scenario, the heterogeneous MAS could achieve a remarkable 47\% performance boost on the AIME dataset. Our results underscore the transformative potential of heterogeneous LLMs in MAS, highlighting a promising avenue for advancing scalable, collaborative AI systems.
Abstract:Code completion technology based on large language model has significantly improved the development efficiency of programmers. However, in practical applications, there remains a gap between current commonly used code completion evaluation metrics and users' actual perception. To address this issue, we propose two evaluation metrics for code completion tasks--LCP and ROUGE-LCP, from the perspective of probabilistic modeling. Furthermore, to tackle the lack of effective structural semantic modeling and cross-module dependency information in LLMs for repository-level code completion scenarios, we propose a data processing method based on a Structure-Preserving and Semantically-Reordered Code Graph (SPSR-Graph). Through theoretical analysis and experimental validation, we demonstrate the superiority of the proposed evaluation metrics in terms of user perception consistency, as well as the effectiveness of the data processing method in enhancing model performance.
Abstract:While data plays a crucial role in training contemporary AI models, it is acknowledged that valuable public data will be exhausted in a few years, directing the world's attention towards the massive decentralized private data. However, the privacy-sensitive nature of raw data and lack of incentive mechanism prevent these valuable data from being fully exploited. Addressing these challenges, this paper proposes inclusive and incentivized personalized federated learning (iPFL), which incentivizes data holders with diverse purposes to collaboratively train personalized models without revealing raw data. iPFL constructs a model-sharing market by solving a graph-based training optimization and incorporates an incentive mechanism based on game theory principles. Theoretical analysis shows that iPFL adheres to two key incentive properties: individual rationality and truthfulness. Empirical studies on eleven AI tasks (e.g., large language models' instruction-following tasks) demonstrate that iPFL consistently achieves the highest economic utility, and better or comparable model performance compared to baseline methods. We anticipate that our iPFL can serve as a valuable technique for boosting future AI models on decentralized private data while making everyone satisfied.