Fast Optimal Circular Clustering and Applications on Round Genomes.

Abstract

Round genomes are found in bacteria, plant chloroplasts, and mitochondria. Genetic or epigenetic marks can present biologically interesting clusters along a circular genome. The circular data clustering problem groups N points on a circle into K clusters to minimize the within-cluster sum of squared distances. Repeatedly applying the K-means algorithm takes quadratic time, impractical for large circular datasets. To overcome this issue, we developed a reproducible fast optimal circular clustering (FOCC) algorithm of worst-case O(KN log2 N) time. The core is a fast optimal framed clustering algorithm, which we designed by integrating two divide-and-conquer and one bracket dynamic programming strategies. The algorithm is optimal based on a property of monotonic increasing cluster borders over frames on linearized data. On clustering 50,000 circular data points, FOCC outruns brute-force or heuristic circular clustering by three orders of magnitude in time. We produced clusters of CpG sites and genes along three round genomes, exhibiting higher quality than heuristic clustering. More broadly, the presented subquadratic-time algorithms offer the fastest known solution to not only framed and circular clustering, but also angular, periodical, and looped clustering. We implemented these algorithms in the R package 'OptCirClust' (https://CRAN.R-project.org/package=OptCirClust).