Machine learning prediction of magnetic properties of Fe-based metallic glasses considering glass forming ability

摘要

Fe-based metallic glasses(MGs)have shown great commercial values due to their excellent soft magnetic properties.Magnetism prediction with consideration of glass forming ability(GFA)is of great signifi-cance for developing novel functional Fe-based MGs.However,theories or models established based on condensed matter physics exhibit limited accuracy and some exceptions.In this work,based on 618 Fe-based MGs samples collected from published works,machine learning(ML)models were well trained to predict saturated magnetization(B_(s))of Fe-based MGs.GFA was treated as a feature using the experimental data of the supercooled liquid region(△T_(x)).Three ML algorithms,namely eXtreme gradient boosting(XGBoost),artificial neural networks(ANN)and random forest(RF),were studied.Through feature selection and hyperparameter tuning,XGBoost showed the best predictive performance on the randomly split test dataset with determination coefficient(R^(2))of 0.942,mean absolute percent error(MAPE)of 5.563%,and root mean squared error(RMSE)of 0.078 T.A variety of feature importance rankings derived by XGBoost models showed that T_(x) played an important role in the predictive performance of the models.This work showed the proposed ML method can simultaneously aggregate GFA and other features in ther-modynamics,kinetics and structures to predict the magnetic properties of Fe-based MGs with excellent accuracy.