Fig. 4: Dimensionally-reduced compound vectors.
From: Distributed representations of atoms and materials for machine learning
a 200-dimensional SkipAtom vectors for Cr, Ni, and Zr, and their mean-pooled oxides, dimensionally reduced using PCA. b Plot of a sampling of the dimensionally-reduced compound vectors for the OQMD Dataset Formation Energy task, mapped to their associated physical values. The points are sum-pooled one-hot vectors reduced using t-SNE with a Hamming distance metric. The sum-pooled one-hot representation was the best performing for the task.
