Machine Learning Lab Module

By BENJAMIN AFFLERBACH1, Rundong Jiang2, Josh Tappan2, DANE MORGAN1

1. University of Wisconsin - Madison 2. Citrine Informatics

A lab activity for introduction to machine learning in materials science

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Version 1.7 - published on 13 Sep 2022

doi:10.21981/CPNK-XE48 cite this

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This lab activity is meant to give an overview of a materials science machine learning workflow. It covers sections starting from initial data cleaning and ends with analyzing various predictions the model could make.

Each section includes a few exercises which highlights key points from each step.

The notebook can be ran without edits to the code, but there a points throughout where edits can be made to investigate different aspects of the model that could be changed.

Attached as supplementary info is a set of slides and associated material for use as a one week module for introducing students to machine learning in materials science.

For a quick video walkthrough of the lab material please see the youtube playlist here:


Cite this work

Researchers should cite this work as follows:

  • BENJAMIN AFFLERBACH, Rundong Jiang, Josh Tappan, DANE MORGAN (2022), "Machine Learning Lab Module," (DOI: 10.21981/CPNK-XE48).

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