About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
|
Symposium
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AI/Data Informatics: Computational Model Development, Validation, and Uncertainty Quantification
|
Presentation Title |
Feature Selection and Interpretation for Machine Learning Models: Reducing the Dimensionality of Complex Concentrated Alloys |
Author(s) |
Zachary D. Mcclure, Austin Hernandez, Michael Titus, Alejandro Strachan |
On-Site Speaker (Planned) |
Zachary D. Mcclure |
Abstract Scope |
The inherent high dimensionality of complex concentrated alloy design prohibits full exploration of the material space via experimental means. Therefore, large efforts to model properties and phenomena of the design space coupled with validation is critical for efficient procedure. Since available datasets are limited, we often turn to machine learning models with carefully engineered features. With increased feature count is the reward of a more complex and accurate model. However, this is often at the cost of interpretability of individual features. In this study we develop random forest regression models with quantified uncertainties to predict the yield strength of CCAs, followed by an analysis of our selected features using game theory approximations. We use the methods of Shapely coefficients to score and evaluate the impact of our features, and offer explanations for individual feature impact on model predictions. |
Proceedings Inclusion? |
Planned: |
Keywords |
High-Entropy Alloys, Machine Learning, ICME |