Data Quality, Data Sampling and Data Fitting: A Tutorial Guide for Constructing Full-dimensional Accurate Potential Energy Surfaces (PESs) of Small Molecular Systems

This is a preprint of the following chapter: Jun Li and Yang Liu, Data Quality, Data Sampling and Data Fitting: A Tutorial Guide for Constructing Full-Dimensional Accurate Potential Energy Surfaces (PESs) of Molecules and Reactions, published in Machine Learning in Molecular Sciences, edited by Chen Qu and Hanchao Liu, 2023, Springer Cham reproduced with permission of Springer Nature Switzerland AG 2023. The final authenticated version is available online at: http://dx.doi.org/10.1007/978-3-031-37196-7_6.