BASC: Applying Bayesian Optimization to the Search for Global Minima on Potential Energy Surfaces.

Shane Carr Roman Garnett Cynthia Lo

Published in: ICML (2016)

Keyphrases

global minima
global minimum
energy minimization
search algorithm
global search
search strategy
optimization algorithm
search space
multiresolution
free form
bayesian networks
efficient optimization
convergence rate
optimization method
energy consumption
optimization problems
denoising
d objects
three dimensional