LMS Seminars
Exploring Bayesian Optimization and Its Application to Pseudopotential Optimization
by
→
Europe/Zurich
OVGA/200
OVGA/200
Description
Bayesian optimization has emerged as a powerful strategy for solving complex optimization problems when direct gradient information is unavailable or when objective evaluations are expensive. This talk provides a concise introduction to the theoretical foundations of Bayesian optimization, illustrates its superiority in various problem settings, and explores how it can be leveraged to optimize pseudopotentials for plane-wave DFT.
Organised by
Laboratory for Materials Simulations (LMS)
Dr Matthias Krack