Evaluating explorative prediction power of machine learning algorithms for materials discovery using k-fold forward cross-validation - Xiong, Zheng; Cui, Yuxin; Liu, Zhonghao; Zhao, Yong; Hu, Ming; Hu, Jianjun (Computational materials science, 2020)
Keywords: Cross-validation; Exploration; Extrapolation; Interpolation; Machine learning; Materials discovery; Performance evaluation; Performance evaluation; Extrapolation; Interpolation; Cross-validation; Machine learning; Exploration; Materials discovery