論文

2021年7月

Evidence-based recommender system for high-entropy alloys

Nature Computational Science
  • Minh Quyet Ha
  • ,
  • Duong Nguyen Nguyen
  • ,
  • Viet Cuong Nguyen
  • ,
  • Takahiro Nagata
  • ,
  • Toyohiro Chikyow
  • ,
  • Hiori Kino
  • ,
  • Takashi Miyake
  • ,
  • Thierry Denœux
  • ,
  • Van Nam Huynh
  • ,
  • Hieu Chi Dam

1
7
開始ページ
470
終了ページ
478
記述言語
掲載種別
研究論文(学術雑誌)
DOI
10.1038/s43588-021-00097-w

Existing data-driven approaches for exploring high-entropy alloys (HEAs) face three challenges: numerous element-combination candidates, designing appropriate descriptors, and limited and biased existing data. To overcome these issues, here we show the development of an evidence-based material recommender system (ERS) that adopts Dempster–Shafer theory, a general framework for reasoning with uncertainty. Herein, without using material descriptors, we model, collect and combine pieces of evidence from data about the HEA phase existence of alloys. To evaluate the ERS, we compared its HEA-recommendation capability with those of matrix-factorization- and supervised-learning-based recommender systems on four widely known datasets of up-to-five-component alloys. The k-fold cross-validation on the datasets suggests that the ERS outperforms all competitors. Furthermore, the ERS shows good extrapolation capabilities in recommending quaternary and quinary HEAs. We experimentally validated the most strongly recommended Fe–Co-based magnetic HEA (namely, FeCoMnNi) and confirmed that its thin film shows a body-centered cubic structure.

リンク情報
DOI
https://doi.org/10.1038/s43588-021-00097-w
Scopus
https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85113196906&origin=inward 本文へのリンクあり
Scopus Citedby
https://www.scopus.com/inward/citedby.uri?partnerID=HzOxMe3b&scp=85113196906&origin=inward
ID情報
  • DOI : 10.1038/s43588-021-00097-w
  • eISSN : 2662-8457
  • SCOPUS ID : 85113196906

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