This text covers all of the data science, machine learning, and deep learning topics relevant to materials science and engineering, accompanied by numerous examples and applications. Almost all methods and algorithms introduced are implemented “from scratch” using Python and NumPy.
The second part provides an in-depth introduction of (statistical) machine learning. It begins with outlining fundamental concepts and proceeds to explore a variety of supervised learning techniques for regression and classification, including advanced methods such as kernel regression and support vector machines. The section on unsupervised learning emphasizes principal component analysis, and also covers manifold learning (t-SNE and UMAP) and clustering techniques. Additionally, feature engineering, feature importance, and cross-validation are introduced.