Fast and interpretable classification of small X-ray diffraction datasets using data augmentation and deep neural networks

Oviedo, Felipe; Ren, Zekun; Sun, Shijing; Settens, Charles; Liu, Zhe; Hartono, Noor Titan Putri; Ramasamy, Savitha; DeCost, Brian L.; Tian, Siyu I. P.; Romano, Giuseppe; Gilad Kusne, Aaron; Buonassisi, Tonio

doi:10.1038/s41524-019-0196-x

Fast and interpretable classification of small X-ray diffraction datasets using data augmentation and deep neural networks

X-ray diffraction (XRD) data acquisition and analysis is among the most time-consuming steps in the development cycle of novel thin-film materials. We propose a machine learning-enabled approach to predict crystallographic dimensionality and space group from a limited number of thin-film XRD patt…