Fig. 3: The pre-processing of Fe-Co-Ni-Ti-Zr datasets derived from random-mixing-based and random-sublattice-based descriptors. | npj Computational Materials

Fig. 3: The pre-processing of Fe-Co-Ni-Ti-Zr datasets derived from random-mixing-based and random-sublattice-based descriptors.

From: A physics-informed machine learning framework for accelerated discovery of single-phase B2 multi-principal element intermetallics

Fig. 3

The PCA plot of the whole dataset using (a)16 random-mixing-based descriptors and (b) 18 random-sublattice-based descriptors, through K-means clustering the whole dataset were divided into three groups, separated by the dotted lines; The data structures of (c) random-mixing-derived and (d) random-sublattice-derived training datasets.

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