In this study, the magnetocaloric effect and transition temperature of bulk metallic glass, an amorphous material, were predicted through machine learning based on the composition features. From the Python module ‘Matminer’, 174 compositional features were obtained, and prediction performance was compared while reducing the composition features to prevent overfitting. After optimization using RandomForest, an ensemble model, changes in prediction performance were analyzed according to the number of compositional features. The R2 score was used as a performance metric in the regression prediction, and the best prediction performance was found using only 90 features predicting transition temperature, and 20 features predicting magnetocaloric effects. The most important feature when predicting magnetocaloric effects was the ‘Fe’ compositional ratio. The feature importance method provided by ‘scikit-learn’ was applied to sort compositional features. The feature importance method was found to be appropriate by comparing the prediction performance of the Fe-contained dataset with the full dataset.

고성능 콘크리트(HPC) 압축강도는 추가적인 시멘트질 재료의 사용으로 인해 예측하기 어렵고, 개선된 예측 모델의 개발이 필수적 이다. 따라서, 본 연구의 목적은 배깅과 스태킹을 결합한 앙상블 기법을 사용하여 HPC 압축강도 예측 모델을 개발하는 것이다. 이 논 문의 핵심적 기여는 기존 앙상블 기법인 배깅과 스태킹을 통합하여 새로운 앙상블 기법을 제시하고, 단일 기계학습 모델의 문제점을 해결하여 모델 예측 성능을 높이고자 한다. 단일 기계학습법으로 비선형 회귀분석, 서포트 벡터 머신, 인공신경망, 가우시안 프로세스 회귀를 사용하고, 앙상블 기법으로 배깅, 스태킹을 이용하였다. 결과적으로 본 연구에서 제안된 모델이 단일 기계학습 모델, 배깅 및 스태킹 모델보다 높은 정확도를 보였다. 이는 대표적인 4가지 성능 지표 비교를 통해 확인하였고, 제안된 방법의 유효성을 검증하였다.

In this study, we compared the prediction performances according to the bias and dispersion of temperature using ensemble machine learning. Ensemble machine learning is meta-algorithm that combines several base learners into one prediction model in order to improve prediction. Multiple linear regression, ridge regression, LASSO (Least Absolute Shrinkage and Selection Operator; Tibshirani, 1996) and nonnegative ride and LASSO were used as base learners. Super learner (van der Lann et al ., 1997) was used to produce one optimal predictive model. The simulation and real data for temperature were used to compare the prediction skill of machine learning. The results showed that the prediction performances were different according to the characteristics of bias and dispersion and the prediction error was more improved in temperature with bias compared to dispersion. Also, ensemble machine learning method showed similar prediction performances in comparison to the base learners and showed better prediction skills than the ensemble mean.