Tohoku University · Institute for Materials Research

Research keywordsmaterials informatics・Bayesian optimization・grain boundary structures・electron microscopy・spectrum-structure relationships・band alignment prediction・Gaussian processes・structural descriptors

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• Bayesian Optimization with Gaussian Processes Assisted by Deep Learning for Material DesignsShin Kiyohara, Yu Kumagai
• Automatic determination of the spectrum-structure relationship by tree structure-based unsupervised and supervised learningShin Kiyohara, Kakeru Kikumasa, Kiyou Shibata, Teruyasu Mizoguchi
• Target Material Property‐Dependent Cluster Analysis of Inorganic CompoundsNobuya Sato, Akira Takahashi, Shin Kiyohara, Kei Terayama, Ryo Tamura, Fumiyasu Oba
• Machine learning approaches to point defects in non-metallic materials: A review of methodsYu Kumagai, Shin Kiyohara

• ディープカーネルラーニングを用いたベイズ最適化による材料探索手法の確立2025 · 2025年4月 ～ 2028年3月
• 機械学習に基づいた電荷密度予測手法の構築清原 慎
• ユニバーサルな点欠陥形成エネルギーの高精度予測と材料探索への応用熊谷 悠, 清原 慎, 松崎 功佑
• ディープラーニングとガウス過程を融合したベイズ最適化による材料探索手法の開発清原 慎

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