Machine learning, either classical or quantum, has been employed to solve extensively diverse problems in materials science. They capture the complicated component-structure-property relationship and accelerate the traditional simulation methods. We will introduce the frequently used machine learning algorithms and summarize their important applications, providing representative examples.

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Classical Machine Learning for Materials Science

  • Zongrui Pei

摘要

Machine learning, either classical or quantum, has been employed to solve extensively diverse problems in materials science. They capture the complicated component-structure-property relationship and accelerate the traditional simulation methods. We will introduce the frequently used machine learning algorithms and summarize their important applications, providing representative examples.