Extended Data Fig. 8: Visualizations in the latent space.
From: Machine-learning-accelerated simulations to enable automatic surface reconstruction
a, Clustering of VSSR-MC structures in the NFF latent space visualized in the first three principal components. In the VSSR-MC with clustering AL method, the surface from each cluster with the highest force s.d. is selected for DFT evaluation. b, PCA of training data and the dominant terminations (term.) in the latent space of the sixth-generation model.
