Active Learning for Discovering Complex Phase Diagrams with Gaussian
Processes
Active Learning for Discovering Complex Phase Diagrams with Gaussian
Processes
We introduce a Bayesian active learning algorithm that efficiently elucidates phase diagrams. Using a novel acquisition function that assesses both the impact and likelihood of the next observation, the algorithm iteratively determines the most informative next experiment to conduct and rapidly discerns the phase diagrams with multiple phases. Comparative studies …