Fig. 3: Machine-learning model compared with ab-initio results for high-entropy carbides. | npj Computational Materials

Fig. 3: Machine-learning model compared with ab-initio results for high-entropy carbides.

From: Discovery of high-entropy ceramics via machine learning

Fig. 3

a The ML predicted EFA using a random forest fit with 108 chemical attributes evaluated against the labels of the data set from DFT. b The ML predicted EFA values for a random forest fit with 108 chemical attributes plus 8 features from CALPHAD evaluated against the known EFA from DFT. The line y = x is plotted to show the deviation from perfect predictions. Red circles are used to mark the newly calculated Cr-containing compositions.

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