解释贪心搜索为何能发现任意形状密度的聚类结果
Why does Greedy Search produce Optimal Clustering Outcomes? A Fixed-Core Assignment Theory

- 将聚类视为分布生成,用贪心法优化分布嵌入
- 理论证明贪心搜索近似最优,误差由分布估计精度决定
- 首次解释贪心聚类在复杂簇形下的有效性,适合做聚类分析
现有聚类方法多基于点对点相似性,适用于紧凑簇,但对不规则形状、不同密度或大小的簇效果下降。近期提出的‘聚类即分布’(CaD)方法通过将每个簇视为独立同分布点集,利用贪心搜索实现聚类目标,等价于谱聚类但无需特征分解,实际表现更优。然而其理论机制尚不明确。本文从两方面分析:一是真值与经验分布嵌入间的近似误差;二是证明贪心搜索可映射为划分拟阵,从而获得贪心最优性。由此得到对CaD聚类目标的近似最优保证,后悔项受近似误差控制。这是首个解释为何贪心搜索能发现任意形状、密度和大小簇的理论工作,前提是簇嵌入准确逼近真实分布。
原文摘要 · Abstract (English)
Many existing clustering methods are designed based on a set-oriented definition---a cluster is a set of similar points---relying a point-to-point similarity function to find similar points. This works well for compact clusters, but clustering performance can deteriorate badly when cluster shapes are irregular, and densities or sizes vary between clusters. Recent `Cluster-as-Distribution' (CaD) clustering has been shown to discover these generic types of clusters in practice by treating each cluster as a set of independent and identically distributed points generated from some unknown distribution via a greedy search, achieving a clustering objective equivalent to that of Spectral Clustering, but with better clustering outcomes without eigen-decomposition. However, a theoretical analysis of this phenomenon is still lacking. Our analyses are from two angles. First, we analyze the approximation error between the true and empirical distribution embeddings. Second, we show that the greedy search employed to achieve the CaD clustering objective can be mapped to a partition matroid---yielding greedy optimality. These yield a near-optimality guarantee for the CaD clustering objective, with regret controlled by the approximation error. This is the first analysis that explains why CaD clustering via greedy search can discover clusters of arbitrary shapes, densities and sizes (where all set-oriented clustering methods have failed to discover) when the estimated cluster embeddings faithfully approximate the underlying cluster distributions.
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