Improved Outlier Robust Seeding for k-means

TL;DR

This paper introduces a robust variant of the $D^2$ sampling seeding method for $k$-means clustering that effectively handles outliers, providing provable approximation guarantees and improved empirical performance over existing methods.

Contribution

A simple, linear-time algorithm that enhances $D^2$ sampling for robust $k$-means by handling outliers, with theoretical guarantees and practical improvements.

Findings

Outperforms $k$-means++ and other seeding methods on real and synthetic data.

Provides a provable $O(1)$ approximation guarantee in the presence of outliers.

Runs in $O(ndk)$ time and can output exactly $k$ clusters.

Abstract

The $k$-means is a popular clustering objective, although it is inherently non-robust and sensitive to outliers. Its popular seeding or initialization called $k$-means++ uses $D^{2}$ sampling and comes with a provable $O(\log k)$ approximation guarantee \cite{AV2007}. However, in the presence of adversarial noise or outliers, $D^{2}$ sampling is more likely to pick centers from distant outliers instead of inlier clusters, and therefore its approximation guarantees \textit{w.r.t.} $k$-means solution on inliers, does not hold. Assuming that the outliers constitute a constant fraction of the given data, we propose a simple variant in the $D^2$ sampling distribution, which makes it robust to the outliers. Our algorithm runs in $O(ndk)$ time, outputs $O(k)$ clusters, discards marginally more points than the optimal number of outliers, and comes with a provable $O(1)$ approximation guarantee. Our algorithm can also be modified to output exactly $k$ clusters instead of $O(k)$ clusters, while keeping its running time linear in $n$ and $d$. This is an improvement over previous results for robust $k$-means based on LP relaxation and rounding \cite{Charikar}, \cite{KrishnaswamyLS18} and \textit{robust $k$-means++} \cite{DeshpandeKP20}. Our empirical results show the advantage of our algorithm over $k$-means++~\cite{AV2007}, uniform random seeding, greedy sampling for $k$ means~\cite{tkmeanspp}, and robust $k$-means++~\cite{DeshpandeKP20}, on standard real-world and synthetic data sets used in previous work. Our proposal is easily amenable to scalable, faster, parallel implementations of $k$-means++ \cite{Bahmani,BachemL017} and is of independent interest for coreset constructions in the presence of outliers \cite{feldman2007ptas,langberg2010universal,feldman2011unified}.