Malware Clustering in the Wild: Taxonomy, Challenges, and Evaluation Metrics

As malware continues to grow in volume, diversity, and sophistication, clustering has emerged as a critical technique for analyzing large malware corpora. Clustering enables the discovery of structural relationships, behavioral patterns, and evolutionary trends, and is widely used to group unknown samples, infer malware family boundaries, and identify novel variants. However, existing research remains fragmented, employing a wide range of clustering techniques with no unified perspective that systematically organizes prior work or clearly identifies gaps in the literature. This survey addresses this gap by organizing previous malware clustering research into seven categories: centroid-based, hierarchical-based, density-based, distribution-based, mixed- type, fuzzy, and AI-driven approaches. In addition, this survey summarizes publicly available malware datasets commonly used in clustering research and examines the feature representations derived from these datasets. Our goal is to clarify the current landscape and outline promising avenues for future research on malware clustering, including how AI-driven methods may shape large-scale and reproducible analysis.