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Guo-Jiang Zhao

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#artificial intelligence Preprint Oct 2026

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

Materials and chemical optimization must choose the next synthesis, characterization, or high-fidelity simulation from sequential observations under a limited budget. Large language models can use task knowledge to propose adjustments, but composing surrogates, acquisition functions, and search strategies is constraine...

Yu Zeng, Yu-Chuan Chen, Zi-Yu Zhang et al. · 0 citations
#artificial intelligence Preprint Sep 2026

Rules to Tools: Executable Checks for LLM Agents in Scientific Computing

Scientific coding agents receive equations, boundary conditions, and output requirements in writing, then must assess the programs they revise. Rules to Tools (R2T) supplies prepared executable checks of public scientific requirements. Matched SciCode repair groups share written checks, starting programs, model, and bu...

Jing-Jie Ning, Guo-Jiang Zhao, Cheng-Xin Xu et al. · 1 citation

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