构建可扩展的智能科学基础设施,让AI自动完成复杂科研流程。
Bohrium + SciMaster: Building the Infrastructure and Ecosystem for Agentic Science at Scale
- 用统一平台整合科研数据、工具与实验系统,实现AI可调用。
- 实测11个主代理,科研周期缩短数个数量级,生成百万级执行数据。
- 支持全流程可追溯、可复现,适合科研自动化与大规模智能实验。
AI智能体正成为执行多步骤科研工作流的有效方式,实现推理、工具调用与验证的交替进行,标志着从孤立的AI辅助转向规模化智能科学。这一转变日益可行:科学工具和模型可通过稳定接口调用,并借助记录的执行轨迹进行验证;同时愈发必要,因AI加速科研产出,对同行评审和发表流程形成压力,亟需更高的可追溯性与可信评估标准。然而,规模化智能科学仍面临挑战:工作流难以观测与复现;多数工具与实验室系统不具智能体适配性;执行过程难追踪与管控;现有原型系统多为定制开发,限制复用与基于真实工作负载信号的系统优化。本文提出,规模化智能科学需要基础设施与生态协同推进,具体体现为Bohrium+SciMaster。Bohrium作为受管且可追溯的AI for Science资源枢纽,类似AI科研版HuggingFace,将多样化的科学数据、软件、算力与实验系统转化为智能体可用能力。SciMaster则将这些能力编排为长周期科研工作流,供科学智能体组合与执行。在基础设施与编排之间,科学智能基底将可复用的模型、知识与组件组织为可执行的构建模块,支持工作流的组合、审计与使用驱动的持续改进。我们通过11个代表性主代理在真实工作流中的演示,实现了端到端科研周期的量级缩减,并生成了百万级规模的真实工作负载执行信号。
原文摘要 · Abstract (English)
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.
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