2 papers
cs.LG2024
How Useful is Intermittent, Asynchronous Expert Feedback for Bayesian Optimization?
Agustinus Kristiadi, Felix Strieth-Kalthoff, Sriram Ganapathi Subramanian +3
Bayesian optimization (BO) is an integral part of automated scientific discovery -- the so-called self-driving lab -- where human inputs are ideally minimal or at least non-blockin…
cs.LG2024
A Sober Look at LLMs for Material Discovery: Are They Actually Good for Bayesian Optimization Over Molecules?
Agustinus Kristiadi, Felix Strieth-Kalthoff, Marta Skreta +3
Automation is one of the cornerstones of contemporary material discovery. Bayesian optimization (BO) is an essential part of such workflows, enabling scientists to leverage prior d…