58 citations · 172 across the 7 of their papers we have counts for
3 papers · 1 filter
Matrix- and tensor-based recommender systems for the discovery of currently unknown inorganic compounds
Atsuto Seko, Hiroyuki Hayashi, Hisashi Kashima +1
Chemically relevant compositions (CRCs) and atomic arrangements of inorganic compounds have been collected as inorganic crystal structure databases. Machine-learning is a unique ap…
Descriptors for Machine Learning of Materials Data
Atsuto Seko, Atsushi Togo, Isao Tanaka
Descriptors, which are representations of compounds, play an essential role in machine learning of materials data. Although many representations of elements and structures of compo…
Conceptual and practical bases for the high accuracy of machine learning interatomic potential
Akira Takahashi, Atsuto Seko, Isao Tanaka
Machine learning interatomic potentials (MLIPs) based on a large dataset obtained by density functional theory (DFT) calculation have been developed recently. This study gives both…