Fig. 4: Representation of the structures visited by the evolutionary algorithm.
From: Evolutionary computing and machine learning for discovering of low-energy defect configurations
Results showed for pristine bulk silicon crystal. Scatter plot of the first two principal components of crystal fingerprint descriptors for the structures generated during the EA run (see main text for the details). Cluster centroids are shown with crosses. The inset at the top-left corner shows the k-distance plot used to find the clustering parameter ε. The inset at the bottom-right corner shows the cumulative explained variance ratio (CEVR) as a function of the number of principal components (NPC). Cluster names are given according to their distance from the left-most cluster and they are ordered in the legend according to their size.
