Keyword: Machine learning
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22 records found.

main.pdf
Data-driven analysis of hydrogen embrittlement in martensitic steels with interpretable machine learning
Journal article
Creator
ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI
Keyword
Hydrogen embrittlement, Martensitic steel, Machine learning, hap (shapley additive explanations), Symbolic regression
Date published
2026-04-23
Updated at
2026-06-17 09:57:29 +0900
Fujii-DigitalDiscovery2025.pdf
A straightforward gradient-based approach for designing superconductors with high critical temperature: exploiting domain knowledge via adaptive constraints
Journal article
Creator
Akihiro Fujii (author) (Search by this author)
;
Anh Khoa Augustin Lu (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Koji Shimizu (author) (Search by this author)
;
Satoshi Watanabe (author) (Search by this author)
National Institute for Materials Science
ORCID
Keyword
Gradient-based optimization, Superconductor, Domain knowledge integration, Materials discovery, Critical temperature, Machine learning
Date published
2025-10-29
Updated at
2026-05-18 14:53:14 +0900
takahara-et-al-2024-toward-the-atomic-level-analysis-of-ground-state-electronic-structures-of-solid-materials-via.pdf
Toward the Atomic-Level Analysis of Ground-State Electronic Structures of Solid Materials via Prediction from Core-Loss Spectra: A Computational Study in Si
Journal article
Creator
Izumi Takahara (author) (Search by this author)
;
Fumihiko Uesugi (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Koji Kimoto (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Kiyou Shibata (author) (Search by this author)
;
Teruyasu Mizoguchi (author) (Search by this author)
Keyword
Machine learning, ELNES, XANES, PDOS
Date published
2024-08-15
Updated at
2024-10-02 12:30:19 +0900
Autonomous search for half-metallic materials with B2 structure.pdf
Autonomous search for half-metallic materials with B 2 structure
Journal article
Creator
ORCID SAMURAI ; ORCID SAMURAI ;
Takahiro Yamazaki (author) (Search by this author)
ORCID ;
Yasuhiko Igarashi (author) (Search by this author)
ORCID ;
Masato Kotsugi (author) (Search by this author)
ORCID ; ORCID SAMURAI
Keyword
Machine learning, Autonomous, ab initio, Half metal
Date published
2024-12-31
Updated at
2024-10-04 08:30:32 +0900
1-s2.0-S092702562600087X-main.pdf
Active learning for predicting the enthalpy of mixing in binary liquids based on ab initio molecular dynamics
Journal article
Creator
Quentin Bizot (author) (Search by this author)
ORCID ; ORCID SAMURAI ;
Guillaume Deffrennes (author) (Search by this author)
ORCID
Keyword
CALPHAD, Machine learning
Date published
2026-02-07
Updated at
2026-04-01 13:44:57 +0900
lin-et-al-2025-determination-of-stable-proton-configurations-by-black-box-optimization-using-an-ising-machine.pdf
Determination of Stable Proton Configurations by Black-Box Optimization Using an Ising Machine
Journal article
Creator
Jianbo Lin (author) (Search by this author)
;
Tomofumi Tada (author) (Search by this author)
ORCID ;
Ai Koizumi (author) (Search by this author)
;
Masato Sumita (author) (Search by this author)
ORCID ; ORCID SAMURAI ; ORCID SAMURAI
Keyword
Machine learning, Ising machine, Proton configuration
Date published
2025-02-06
Updated at
2025-05-23 08:30:18 +0900
1-s2.0-S135964542400692X-main.pdf
Process optimization on kesterite-based ceramics for enhancing their thermoelectric performances assisted by active machine learning approach: A tool for metal-sulfide ceramics development
Journal article
Creator
Cédric Bourgès (author) (Search by this author)
National Institute for Materials Science
ORCID ;
Guillaume Lambard (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Naoki Sato (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Makoto Tachibana (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Satoshi Ishii (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Takao Mori (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI
Keyword
Kesterite, Machine learning, Process, Thermoelectric, Ceramic
Date published
2024-08-29
Updated at
2024-09-20 16:30:30 +0900
Extraction of physicochemical laws by symbolic regression using a Bayesian information criterion.pdf
Extraction of physicochemical laws by symbolic regression using a Bayesian information criterion
Journal article
Creator
Naoki Yamane (author) (Search by this author)
Tsukuba University
;
Kan Hatakeyama-Sato (author) (Search by this author)
東京工業大学
;
Yuma Iwasaki (author) (Search by this author)
Center for Basic Research on Materials/Data-driven Materials Research Field/Data-driven Materials Design Group, National Institute for Materials Science
ORCID SAMURAI ;
Yasuhiko Igarashi (author) (Search by this author)
Tsukuba University
Keyword
Machine learning
Date published
2024-12-31
Updated at
2024-11-14 16:30:30 +0900
Improving efficiency of autonomous material search via transfer learning from nontarget properties (2).pdf
Improving efficiency of autonomous material search via transfer learning from nontarget properties
Journal article
Creator
Jaekyun Hwang (author) (Search by this author)
National Institute for Materials Science
;
Yuma Iwasaki (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI
Keyword
Machine learning
Date published
2023-12-31
Updated at
2024-01-05 22:11:31 +0900
s41524-025-01757-5 (2).pdf
High-throughput materials exploration system for the anomalous Hall effect using combinatorial experiments and machine learning
Journal article
Creator
ORCID SAMURAI ; ORCID SAMURAI ; ORCID ; ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI
Keyword
Machine learning, High-throughput, Combinatorial, Anomalous Hall effect
Date published
2025-09-03
Updated at
2025-12-26 13:11:05 +0900