Unleashing LLMs in Bayesian Optimization: Preference-Guided Framework for Scientific Discovery

In three linesLGBO (LLM-Guided Bayesian Optimization) embeds LLM semantic reasoning into every Bayesian Optimization iteration via a region-lifted preference mechanism. Tested on physics, chemistry, biology, and materials science benchmarks, LGBO reaches 90% of best observed value in 6 iterations for Fe-Cr battery electrolyte optimization, versus 10+ for standard BO.

Summary generated by Claude — human-verified