activity
20152022
most citedA machine learning-based selective sampling procedure for identifying the low energy region in a potential energy surface: a case study on proton conduction in oxides

63 citations · 162 across the 6 of their papers we have counts for

collaborators

6 papers

cond-mat.mes-hall2022★ 6 cited

Visual explanations of machine learning model estimating charge states in quantum dots

Yui Muto, Takumi Nakaso, Motoya Shinozaki +13

Charge state recognition in quantum dot devices is important in the preparation of quantum bits for quantum information processing. Toward auto-tuning of larger-scale quantum devic…

cond-mat.mtrl-sci2022★ 29 cited

Ring-originated anisotropy of local structural ordering in amorphous and crystalline silicon dioxide

Motoki Shiga, Akihiko Hirata, Yohei Onodera +1

Rings comprising chemically bonded atoms are essential topological motifs for the structural ordering of network-forming materials. Quantification of such larger motifs beyond shor…

cond-mat.mtrl-sci2020★ 4 cited

Cost-effective search for lower-error region in material parameter space using multifidelity Gaussian process modeling

Shion Takeno, Yuhki Tsukada, Hitoshi Fukuoka +3

Information regarding precipitate shapes is critical for estimating material parameters. Hence, we considered estimating a region of material parameter space in which a computation…

stat.ML2019★ 23 cited

Multi-fidelity Bayesian Optimization with Max-value Entropy Search and its parallelization

Shion Takeno, Hitoshi Fukuoka, Yuhki Tsukada +4

In a standard setting of Bayesian optimization (BO), the objective function evaluation is assumed to be highly expensive. Multi-fidelity Bayesian optimization (MFBO) accelerates BO…

physics.chem-ph2017★ 37 cited

Exploring a potential energy surface by machine learning for characterizing atomic transport

Kenta Kanamori, Kazuaki Toyoura, Junya Honda +7

We propose a machine-learning method for evaluating the potential barrier governing atomic transport based on the preferential selection of dominant points for the atomic transport…

cond-mat.mtrl-sci2015★ 63 cited

A machine learning-based selective sampling procedure for identifying the low energy region in a potential energy surface: a case study on proton conduction in oxides

Kazuaki Toyoura, Daisuke Hirano, Atsuto Seko +5

In this paper, we propose a selective sampling procedure to preferentially evaluate a potential energy surface (PES) in a part of the configuration space governing a physical prope…