A Primer about Machine Learning in Catalysis – A Tutorial with Code

Volume: 12, Issue: 16, Pages: 3995 - 4008
Published: May 5, 2020
Abstract
Based on a well-edited dataset from literature by Schmack et al.[1] this manuscript provides a tutorial-like introduction to Machine Learning (ML) and Data Science (DS) based on the actual programming code in the Python programming language. The study will not only try to illustrate a ML workflow, but will also show important tasks like hyperparameter tuning and data pre-processing which often cover much of the time of an actual study. Moreover,...
Paper Details
Title
A Primer about Machine Learning in Catalysis – A Tutorial with Code
Published Date
May 5, 2020
Volume
12
Issue
16
Pages
3995 - 4008
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