Deep learning for visualization and novelty detection in large X-ray diffraction datasets

Abstract We apply variational autoencoders (VAE) to X-ray diffraction (XRD) data analysis on both simulated and experimental thin-film data. We show that crystal structure representations learned by a VAE reveal latent information, such as the structural similarity of textured diffraction patterns....

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Bibliographic Details
Main Authors: Lars Banko, Phillip M. Maffettone, Dennis Naujoks, Daniel Olds, Alfred Ludwig
Format: Article
Language:English
Published: Nature Publishing Group 2021-07-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-021-00575-9