Rare-class learning over Mg-doped ZnO nanoparticles
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Tarih
2021
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
This interdisciplinary study is conducted to find answers to two important questions which researchers often face in Machine Learning (ML) and Material Science (MS) fields. In this work, we measure the performance of the most popular ML algorithms (more than a dozen) on rare-class learning problem and determine the best learning algorithm for atom type prediction over the Mg-doped ZnO nanoparticles data obtained from the densityfunctional tight-binding method. As a result, we observe that tree-based ML algorithms such as Extreme Gradient Boosting (XGB), Decision Trees (DT), Random Forest (RF), outperform other types of ML algorithms, e. g., cost-sensitive learning, prototype models, support vector machines, kernel methods, on both rare-class learning and atom type prediction.
Açıklama
Anahtar Kelimeler
Machine learning, Material science, Rare-class learning, Tree-based models, Extreme gradient boosting
Kaynak
Chemical Physics
WoS Q Değeri
Q3
Scopus Q Değeri
Q2
Cilt
546
