49 citations · 79 across the 11 of their papers we have counts for
11 papers
Sequential- and Parallel- Constrained Max-value Entropy Search via Information Lower Bound
Shion Takeno, Tomoyuki Tamura, Kazuki Shitara +1
Max-value entropy search (MES) is one of the state-of-the-art approaches in Bayesian optimization (BO). In this paper, we propose a novel variant of MES for constrained problems, c…
Machine-Learning-based Prediction of Lattice Thermal Conductivity for Half-Heusler Compounds using Atomic Information
Hidetoshi Miyazaki, Tomoyuki Tamura, Masashi Mikami +4
The half-Heusler compound has drawn attention in a variety of fields as a candidate material for thermoelectric energy conversion and spintronics technology. This is because it has…
Computational Design of Stable and Highly Ion-conductive Materials using Multi-objective Bayesian Optimization: Case Studies on Diffusion of Oxygen and Lithium
Masayuki Karasuyama, Hiroki Kasugai, Tomoyuki Tamura +1
Ion-conducting solid electrolytes are widely used for a variety of purposes. Therefore, designing highly ion-conductive materials is in strongly demand. Because of advancement in c…
Active-learning-based efficient prediction of ab-initio atomic energy: a case study on a Fe random grain boundary model with millions of atoms
Tomoyuki Tamura, Masayuki Karasuyama
We have developed a method that can analyze large random grain boundary (GB) models with the accuracy of density functional theory (DFT) calculations using active learning. It is a…
Multi-objective Bayesian Optimization using Pareto-frontier Entropy
Shinya Suzuki, Shion Takeno, Tomoyuki Tamura +2
This paper studies an entropy-based multi-objective Bayesian optimization (MBO). The entropy search is successful approach to Bayesian optimization. However, for MBO, existing entr…
Knowledge-Transfer based Cost-effective Search for Interface Structures: A Case Study on fcc-Al [110] Tilt Grain Boundary
Tomohiro Yonezu, Tomoyuki Tamura, Ichiro Takeuchi +1
Determining the atomic configuration of an interface is one of the most important issues in materials science research. Although theoretical simulations are effective tools, an exh…