Towards understanding structure–property relations in materials with interpretable deep learning

Abstract Deep learning (DL) models currently employed in materials research exhibit certain limitations in delivering meaningful information for interpreting predictions and comprehending the relationships between structure and material properties. To address these limitations, we propose an interpr...

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Bibliographic Details
Main Authors: Tien-Sinh Vu, Minh-Quyet Ha, Duong-Nguyen Nguyen, Viet-Cuong Nguyen, Yukihiro Abe, Truyen Tran, Huan Tran, Hiori Kino, Takashi Miyake, Koji Tsuda, Hieu-Chi Dam
Format: Article
Language:English
Published: Nature Portfolio 2023-12-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-023-01163-9