Machine learning in materials genome initiative: A review

Yingli Liu^a^,^b, Chen Niu^a, Zhuo Wang^c^,^f^,^a^,^*(

), Yong Gan^d, Yan Zhu^a, Shuhong Sun^e, Tao Shen^a^,^b^,^**(

)

Fig. 5.. Mean absolute error (MAE in kcal/mol) for BoB and polynomial models: Training sets from N?=?500 to 7000 data points were sampled identically for the different methods. The polynomial models of degree 10 and 18 exhibit high variances due to the random stratification, which for small N leads to nonrobust fits [133].