318 citations · 318 across the 1 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2016★ 318 cited
Representation of compounds for machine-learning prediction of physical properties
Atsuto Seko, Hiroyuki Hayashi, Keita Nakayama +2
The representations of a compound, called "descriptors" or "features", play an essential role in constructing a machine-learning model of its physical properties. In this study, we…
cond-mat.mtrl-sci2015
Prediction model of band-gap for AX binary compounds by combination of density functional theory calculations and machine learning techniques
Joohwi Lee, Atsuto Seko, Kazuki Shitara +1
Machine learning techniques are applied to make prediction models of the G0W0 band-gaps for 156 AX binary compounds using Kohn-Sham band-gaps and other fundamental information of c…