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. Author manuscript; available in PMC: 2024 Nov 7.
Published in final edited form as: J Chem Theory Comput. 2024 Jun 21;20(13):5583–5597. doi: 10.1021/acs.jctc.4c00308

Figure 3:

Figure 3:

k-means NANI on a sample 2D data with a known number of clusters (7). A different color represents a different cluster label. (a) True Labels. (b) k-means clustering with centroids initialized by k-means++ and took 12 iterations to converge resulting in 0.85 V-measure score. (c) k-means clustering with centroids initialized by k-means NANI and took 11 iterations to converge resulting in 0.80 V-measure score.