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cond-mat.mtrl-sci2023
From Prediction to Action: Critical Role of Performance Estimation for Machine-Learning-Driven Materials Discovery
Mario Boley, Felix Luong, Simon Teshuva +3
Materials discovery driven by statistical property models is an iterative decision process, during which an initial data collection is extended with new data proposed by a model-in…
stat.ML2023★ 1 cited
Bayes beats Cross Validation: Efficient and Accurate Ridge Regression via Expectation Maximization
Shu Yu Tew, Mario Boley, Daniel F. Schmidt
We present a novel method for tuning the regularization hyper-parameter, , of a ridge regression that is faster to compute than leave-one-out cross-validation (LOOCV) while yiel…