Koji Tsuda

ProvMind: provenance-grounded reasoning for materials synthesis

Materials process optimization requires reasoning over routes, conditions, tools and material-flow dependencies, yet most computational formulations flatten synthesis procedures into text or ordered steps. We introduce MatProcBench, a provenance-grounded benchmark constructed fro...

Generalizing molecular design via flexible search space control

Abstract Recent advances in generative artificial intelligence have made in silico molecular design a powerful approach for exploring chemical space toward specific goals. However, despite the need for trial-and-error adjustment of generative strategies and reward formulations, m...