Robust recognition and exploratory analysis of crystal structures via Bayesian deep learning

The present manuscript reports a Bayesian deep-learning approach for the automatic, robust classification of polycrystalline systems of both synthetic and experimental origin. The unsupervised analysis of the internal neural-network representations reveals physically understandable patterns.

Bibliographic Details
Main Authors: Andreas Leitherer, Angelo Ziletti, Luca M. Ghiringhelli
Format: Article
Language:English
Published: Nature Portfolio 2021-10-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-021-26511-5