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Materials data validation and imputation with an artificial neural network

Accepted version
Peer-reviewed

Type

Article

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Authors

Verpoort, PC 
MacDonald, P 
Conduit, GJ 

Abstract

We apply an artificial neural network to model and verify material properties. The neural network algorithm has a unique capability to handle incomplete data sets in both training and predicting, so it can regard properties as inputs allowing it to exploit both composition-property and property-property correlations to enhance the quality of predictions, and can also handle a graphical data as a single entity. The framework is tested with different validation schemes, and then applied to materials case studies of alloys and polymers. The algorithm found twenty errors in a commercial materials database that were confirmed against primary data sources.

Description

Keywords

Materials data, Neural network, Alloys, Polymers

Journal Title

Computational Materials Science

Conference Name

Journal ISSN

0927-0256
1879-0801

Volume Title

147

Publisher

Elsevier BV
Sponsorship
The Royal Society (uf130122)