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A Beyond-Worst-Case Analysis of Greedy k-means++

Qingyun Chen, Sungjin Im, Benjamin Moseley, Ryan Milstrey, Chenyang Xu, Ruilong Zhang

2025Year

Abstract

k -means++ and the related greedy k -means++ algorithm are celebrated algorithms that efficiently compute seeds for Lloyd’s algorithm. Greedy k -means++ is a generalization of k -means++ where, in each iteration, a new seed is greedily chosen among multiple ℓ ≥ 2 points sampled, as opposed to a single seed being sampled in k -means++. While empirical studies consistently show the superior performance of greedy k -means++, making it a preferred method in practice, a discrepancy exists between theory and practice. No theoretical justification currently explains this improved performance. Indeed, the prevailing theory suggests that greedy k -means++ exhibits worse performance than k -means++ in worst-case scenarios. This paper presents an analysis demonstrating the outperformance of the greedy algorithm compared to k -means++ for a natural class of well-separated instances with exponentially decaying distributions, such as Gaussian, specifically when ℓ = ln k + Θ(1) , a common parameter setting in practical applications.

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