Figure 5 | Scientific Reports

Figure 5

From: Predicting the Young’s Modulus of Silicate Glasses using High-Throughput Molecular Dynamics Simulations and Machine Learning

Figure 5

(a) Accuracy (as captured by the RMSE value) of the LASSO models as a function of the degree of complexity (see Methods section)—as obtained for the training and test set, respectively. The optimal degree of complexity is determined as the one for which the RMSE of the test set is one standard deviation away from the minimum RMSE (i.e., in the plateau regime). (b) Comparison between the Young’s modulus values predicted by LASSO (with an optimal degree of complexity) and computed by molecular dynamics simulations.

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