发表机构
Tsinghua University（清华大学）
机构由 AI 辅助整理，请以论文原文为准。AI 中文总结
本研究提出可编程化学环境ChemWorld，分离公开实验契约与私有化学定律，支持实验轨迹精确重放，通过多组实验验证其可控性与可重放性，为化学智能体实验提供互补于物理实验室的基底。
AI 中文摘要
自主化学日益依赖于智能体可反复执行操作、进行观察的环境。实验室能提供重要的真实材料证据，但重复成本高，且难以用于紧密匹配的干预操作；而大多数数字环境则将底层实验世界基本保持固定。我们提出ChemWorld，一种可编程化学环境，其中可重复使用的过程与观察组件被编译为可执行世界。ChemWorld将智能体可用的公开实验契约与评估者拥有的化学及材料定律相分离，因此研究人员可改变世界组成和操作条件，或在保持公开任务与交互条件固定的同时更改单个隐藏定律。事务执行记录操作、失败、资源变化及状态转换，允许完全的环境-智能体轨迹被精确重放和审计。全普查资格测试涵盖参考注册库、52种生成的成分，以及模块、接口、编译和无效操作测试。8个确定性实验案例证明了共享生命周期语义、故障恢复和精确重放；6个父子世界分叉对在匹配的公开条件下隔离了单个私有定律干预的效果。一个独立智能体也通过相同的公开接口在非参考世界中完成了完整生命周期。在声明的组件和模型域内，ChemWorld为研究系统变化的化学世界中的实验提供了可控且可重复的基底，与物理实验室证据和校准形成互补。
英文摘要
Autonomous chemistry increasingly depends on environments in which agents can repeatedly act, observe, and adapt.Physical laboratories provide essential real-material evidence but are costly to repeat and difficult to use for tightly matched interventions, whereas most digital environments keep the underlying experimental world largely fixed. We introduce ChemWorld, a programmable chemical environment in which reusable process and observation components are compiled into executable worlds. ChemWorld separates the public experimental contract available to an agent from evaluator-owned chemical and material laws. Researchers can therefore vary world composition and operating conditions, or change a single hidden law while holding the public task and interaction conditions fixed. Transactional execution records operations, failures, resource changes, and state transitions, allowing complete environment-action trajectories to be replayed exactly and audited. Full-census qualification covered the reference registry, 52 generated compositions, and module, interface, compilation, and invalid-action tests. Eight deterministic experimental cases demonstrated shared lifecycle semantics, failure recovery, and exact replay, while six parent-child world-fork pairs isolated the effects of single private-law interventions under matched public conditions. An independent agent also completed a full lifecycle in a non-reference world through the same public interface. Within the declared component and model domain, ChemWorld provides a controlled and replayable substrate for studying experimentation across systematically varied chemical worlds, complementary to physical-laboratory evidence and calibration.
