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Materials data validation and imputation with an artificial neural network

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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… Click to show full abstract

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.

Keywords: data validation; materials data; network; artificial neural; neural network

Journal Title: Computational Materials Science
Year Published: 2018

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