... into classification and regression models. Classification is about predicting a discrete class label and regression is about predicting a continuous quantity output. Various classification algorithms exist, such as Decision Tree (DT) and Random Forest (RF) (Rokach and Maimon, 2014 ; Fawagreh et al., 2014...

... structure using an ensemble-based machine-learning algorithm known as random-forest algorithm. Findings The model developed by implementing random-forest algorithm has resulted in an accuracy of 91 per cent for phase prediction and 93 per cent for crystal structure prediction for single-phase solid...