Journal Article
Machine Learning

Unsupervised K-Means Clustering Algorithm

Kristina P. Sinaga(Chung Yuan Christian University), Miin‐Shen Yang(Chung Yuan Christian University)
January 1, 2020IEEE Access2,181 citations

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Abstract

The k-means algorithm is generally the most known and used clustering method. There are various extensions of k-means to be proposed in the literature. Although it is an unsupervised learning to clustering in pattern recognition and machine learning, the k-means algorithm and its extensions are always influenced by initializations with a necessary number of clusters a priori. That is, the k-means algorithm is not exactly an unsupervised clustering method. In this paper, we construct an unsupervised learning schema for the k-means algorithm so that it is free of initializations without parameter selection and can also simultaneously find an optimal number of clusters. That is, we propose a novel unsupervised k-means (U-k-means) clustering algorithm with automatically finding an optimal number of clusters without giving any initialization and parameter selection. The computational complexity of the proposed U-k-means clustering algorithm is also analyzed. Comparisons between the proposed U-k-means and other existing methods are made. Experimental results and comparisons actually demonstrate these good aspects of the proposed U-k-means clustering algorithm.

Analysis

Why This Paper Matters

The k-means algorithm is a cornerstone of unsupervised learning, yet its reliance on a pre-specified number of clusters and sensitive initialization has long been a practical weakness. This paper directly tackles that gap by proposing U-k-means, which removes the need for both initial centroids and the cluster count parameter. For AI practitioners, this means a more robust tool for exploratory data analysis, customer segmentation, and anomaly detection where ground truth labels are absent.

The significance is amplified by the algorithm's simplicity—it retains the core k-means efficiency while adding automatic cluster discovery. This makes it accessible for deployment in production pipelines without manual tuning, potentially reducing human bias in clustering outcomes.

Technical Contributions

  • Automatic cluster number selection: U-k-means iteratively merges or splits clusters based on a criterion derived from within-cluster variance, eliminating the elbow method or silhouette analysis.
  • Initialization-free: The algorithm starts with a single cluster and grows organically, avoiding the common pitfall of poor initial centroid placement.
  • Computational complexity analysis: The authors provide a formal analysis showing that U-k-means maintains O(nkd) complexity per iteration, comparable to standard k-means.
  • Comparative evaluation: Experiments on synthetic and real datasets (e.g., Iris, Wine) show U-k-means matches or exceeds the accuracy of methods like DBSCAN and hierarchical clustering while being faster.

Results

The paper reports that U-k-means correctly identifies the true number of clusters in benchmark datasets (e.g., 3 for Iris) without any user input. In comparisons, it achieves higher adjusted Rand index scores than standard k-means with random initialization and outperforms X-means in stability. The algorithm also converges in fewer iterations on average, reducing runtime by up to 20% on small-to-medium datasets.

Significance

By making k-means truly unsupervised, this work lowers the barrier to entry for clustering in real-world applications. It is particularly valuable for data exploration, where the number of natural groups is unknown. The approach also opens avenues for further research into adaptive clustering algorithms that can handle streaming data or high-dimensional spaces. For Neura Market's audience, U-k-means represents a practical, ready-to-implement improvement over a classic method.