2 papers
cond-mat.mtrl-sci2020
A Sampling Strategy in Efficient Potential Energy Surface Mapping for Predicting Atomic Diffusivity in Crystals by Machine Learning
Kazuaki Toyoura, Takeo Fujii, Kenta Kanamori +1
We propose a machine-learning-based (ML-based) method for efficiently predicting atomic diffusivity in crystals, in which the potential energy surface (PES) of a diffusion carrier…
stat.ML2018
Variable Selection for Nonparametric Learning with Power Series Kernels
Kota Matsui, Wataru Kumagai, Kenta Kanamori +2
In this paper, we propose a variable selection method for general nonparametric kernel-based estimation. The proposed method consists of two-stage estimation: (1) construct a consi…