Abstract
This chapter explores the application of machine learning (ML) algorithms to image-based data for a comprehensive understanding of materials. The focus is on various aspects, including the investigation of structure-property relationships, prediction of ionic conductivity, accelerated property prediction through the combination of finite element analysis and image-based modeling, and the use of molecular dynamics and image-based modeling to predict crack propagation in atomic systems. Additionally, the chapter discusses the use of neural operators to efficiently learn stress and strain fields from limited ground truth data. The integration of ML algorithms with image-based data has shown promising results in advancing materials science, enabling deeper insights into material behavior and accelerating property prediction. Future directions involve the development of more advanced neural operator frameworks, integration with quantum mechanics, exploration of complex material systems, and incorporation of experimental techniques. Overall, the application of ML algorithms to image-based data offers exciting opportunities for materials design and optimization, paving the way for the discovery of novel materials with tailored properties and improved performance in various applications.
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Krishnan, N.M.A., Kodamana, H., Bhattoo, R. (2024). Image-Based Predictions. In: Machine Learning for Materials Discovery. Machine Intelligence for Materials Science. Springer, Cham. https://doi.org/10.1007/978-3-031-44622-1_14
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