证明了通用聚类问题的计算困难性,解释了现有方法为何不稳定。
Universal NP-Hardness of Clustering under General Utilities
- 将多种聚类方法统一为可计算的分区效用最大化问题。
- 通过图着色和三元覆盖归约,证明问题在多项式时间内难解。
- 揭示了局部最优与层次聚类顺序陷阱的根本原因,适合算法研究者参考。
聚类是无监督学习的核心基础,但实际应用多依赖启发式方法,其结果常因表示、超参数和初始化而波动。现有理论多针对特定目标,无法统一解释这些现象。本文通过定义通用聚类问题(UCP)——在有限度量空间上最大化一个多项式时间可计算的分区效用——形式化了各类聚类范式共有的优化核心。我们通过两种独立的多项式时间归约,分别从图着色和三元集合精确覆盖(X3C)证明了UCP的NP难性。将十种主流方法(包括k-means、GMMs、DBSCAN、谱聚类、近似传播等)映射到该框架后,发现它们均继承此根本不可解性。结果为局部最优、层次聚类中贪婪合并顺序陷阱等典型失败模式提供了统一解释。最后指出,聚类局限源于计算与认知约束的相互作用,呼吁转向具有稳定性保障的目标函数和交互驱动的建模方式。
原文摘要 · Abstract (English)
Clustering is a central primitive in unsupervised learning, yet practice is dominated by heuristics whose outputs can be unstable and highly sensitive to representations, hyperparameters, and initialisation. Existing theoretical results are largely objective-specific and do not explain these behaviours at a unifying level. We formalise the common optimisation core underlying diverse clustering paradigms by defining the Universal Clustering Problem (UCP): the maximisation of a polynomial-time computable partition utility over a finite metric space. We prove the NP-hardness of UCP via two independent polynomial-time reductions from graph colouring and from exact cover by 3-sets (X3C). By mapping ten major paradigms -- including k-means, GMMs, DBSCAN, spectral clustering, and affinity propagation -- to the UCP framework, we demonstrate that each inherits this fundamental intractability. Our results provide a unified explanation for characteristic failure modes, such as local optima in alternating methods and greedy merge-order traps in hierarchical clustering. Finally, we show that clustering limitations reflect interacting computational and epistemic constraints, motivating a shift toward stability-aware objectives and interaction-driven formulations with explicit guarantees.
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