関数同定問題とsubgroup relevance analysis

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January 18, 23

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2022年度マテリアルズ・インフォマティクス連続セミナー:説明変数重要性、全探索を用いた説明変数重要性 Q&Aへの回答

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マテリアルズインフォマティクスチュートリアル

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関数同定問題 関数形を求める回帰手法 例 1. Luca M. Ghiringhelli, Jan Vybiral, Sergey V. Levchenko, Claudia Draxl, and Matthias Scheffler, “Big Data of Materials Science: Critical Role of the Descriptor”, PRL 114, 105503 (2015). とその進化系 2. Runhai Ouyang, Stefano Curtarolo, Emre Ahmetcik, Matthias Scheffler, and Luca M. Ghiringhelli. “SISSO: A compressed-sensing method for identifying the best lowdimensional descriptor in an immensity of offered candidates”, Physical Review Materials, 2, 083802 (2018). 3. Runhai Ouyang, Emre Ahmetcik, Christian Carbogno, Matthias Scheffler, and Luca M. Ghiringhelli. “Simultaneous learning of several materials properties from incomplete databases with multi-task SISSO”, Journal of Physics: Materials, 2, 024002 (2019). 他グループ 4. Yosuke Kanda, Hitoshi Fujii, and Tamio Oguchi, “Sparse modeling of chemical bonding in binary compounds”, Sci Technol Adv Mater. 20, 1178 (2019). https://github.com/Hitoshi-FUJII/LIDG 5. Yuma Iwasaki, Masahiko Ishida, “Data-driven formulation of natural laws by recursive-LASSO-based symbolic regression”, arXiv:2102.09210.

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見通しの良い形でのRelevance analysis Hieu Chi Dam, Viet Cuong Nguyen, Tien Lam Pham, Anh Tuan Nguyen, Kiyoyuki Terakura, Takashi Miyake, and Hiori Kino, “Important Descriptors and Descriptor Groups of Curie Temperatures of Rare-earth Transition-metal Binary Alloys”, J. Phys. Soc. Jpn. 87, 113801 (2018).