MSE 2022
Plenary Lecture
29.09.2022 (CEST)
Machine Learning for Materials Property Prediction
DM

Dane Morgan

University of Wisconsin-Madison

Morgan, D. (Speaker)¹
¹University of Wisconsin-Madison
Vorschau
37 Min. Untertitel (CC)

Machine learning methods are playing an increasing role in materials research, from predicting properties to accelerating characterization to extracting data from text. In this talk I will give a brief overview of recent activities and opportunities for machine learning in materials. Then I will discuss some of the exciting opportunities and open challenges specifically associated with predicting materials properties. I propose that for such models to be widely adopted we need increased accessibility and improved methods for determining model uncertainties and domains. I will discuss some recent efforts from my group and collaborators to create a new environment, called Foundry, to enable easy cloud access to machine learning data and models. I will also discuss methods to determine the uncertainties and domains in typical materials prediction models and show assessment of promising approaches. For uncertainties, I will focus on ensemble and Bayesian methods, the latter in the form of Gaussian Process regression. For domains, I will focus on approaches that consider measures of distance from training data as a guide for whether a model is applicable. I hope this talk will provide a useful introduction to those not familiar with machine learning and useful guidance for those active in the field and wishing to maximize the impact of their models.

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