HypBO: Accelerating Black-Box Scientific Experiments Using Experts' Hypotheses

1 code implementation • 22 Aug 2023 • Abdoulatif Cisse, Xenophon Evangelopoulos, Sam Carruthers, Vladimir V. Gusev, Andrew I. Cooper

Here, we exploit expert human knowledge in the form of hypotheses to direct Bayesian searches more quickly to promising regions of chemical space.

Bayesian Optimization Bilevel Optimization