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Agentic-MatriBO: Capability-Compiled Agentic Bayesian Optimization for Materials and Chemical Design

Yu Zeng, Yuchuan Chen, Ziyue Zhang, Zijian Wei, Yanyi Su, Guojiang Zhao · Oct 13, 2026

Citations: 0

Match reason: Matched by broad semantic/index fallback.

Score: 38% Sparse protocol signal Freshness: Hot Status: Ready
Simulation Env General
  • We present Agentic-MatriBO, a capability-compiled agentic Bayesian optimization (BO) framework that represents BO components and selection conditions as composable capabilities.
  • We compare Agentic-MatriBO with eight baselines on four offline finite candidate pools---COF, PCE10, Buchwald--Hartwig (BH), and Suzuki--Miyaura---using five seeds per condition; results are reported descriptively.
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