“…Hence, we briefly summarize related work on machine learning methods (e.g., neural networks, Support Vector Machines, k-means clustering, random forests, generative networks, and more) applied to several diverse challenges in molecular and materials science fields. In particular, active research areas for ML in materials science include (but are not limited to): accelerated materials design and property prediction [40][41][42][43][44][45][46], process optimization [47,48], discovery of structure-property relationships [49,50], construction of potential energy surfaces for molecular dynamics simulations [51][52][53], prediction of atomic scale properties [54], text mining for knowledge extraction [55], microstructure and materials characterization [10,11,25,30,[56][57][58], and generation of synthetic microstructure images [31]. Such applications span multiple length scales and a variety of material systems (metals and alloys, oxides, polymers) [59].…”