Short-course to introduce key aspects of machine learning (ML) and artificial intelligence (AI) to materials science and engineering. Topics covered include:
- How to discover new materials
- Definition of machine learning and artificial intelligence
- Introduction to supervised and unsupervised machine learning
- Introduction to clustering, regression, and classification
- Introduction to artificial neural network
- Training vs. validation vs. test sets
- Inverse design with Bayesian optimization
- Typical machine learning pipeline: Data mining, data cleansing, fingerprinting, machine learning algorithm selection, model training, hyperparameter optimization, accuracy testing, deployment