提出新型图聚类方法,更精准保留数据结构,提升聚类效果。
Graph-based Clustering Revisited: A Relaxation of Kernel $k$-Means Perspective
- 仅放松正交约束,保留低秩与双随机性,更好贴近真实聚类结构。
- 引入块对角正则化,使聚类结果更清晰,性能优于传统方法。
- 理论证明可全局收敛,适合追求高精度聚类的科研与工程应用。
经典的图聚类方法如谱聚类、对称非负矩阵分解和双随机归一化,均可视为核k均值的松弛形式。然而,这些方法过度松弛了低秩、非负、双随机及正交约束,可能限制其聚类性能。本文基于理论分析,提出仅松弛正交约束的低秩双随机聚类(LoRD),获得概率聚类结果。我们理论证明在双随机约束下正交性等价于块对角性,进一步引入块对角正则化(通过最大化Frobenius范数实现)形成B-LoRD,显著提升性能。为保证数值可解性,将非凸的双随机约束转化为线性凸约束,引入类别概率参数。理论证明了LoRD与B-LoRD的梯度Lipschitz连续性,从而设计出全局收敛的投影梯度下降算法。大量实验验证了方法的有效性,代码已公开于https://github.com/lwl-learning/LoRD。
原文摘要 · Abstract (English)
The well-known graph-based clustering methods, including spectral clustering, symmetric non-negative matrix factorization, and doubly stochastic normalization, can be viewed as relaxations of the kernel $k$-means approach. However, we posit that these methods excessively relax their inherent low-rank, nonnegative, doubly stochastic, and orthonormal constraints to ensure numerical feasibility, potentially limiting their clustering efficacy. In this paper, guided by our theoretical analyses, we propose \textbf{Lo}w-\textbf{R}ank \textbf{D}oubly stochastic clustering (\textbf{LoRD}), a model that only relaxes the orthonormal constraint to derive a probabilistic clustering results. Furthermore, we theoretically establish the equivalence between orthogonality and block diagonality under the doubly stochastic constraint. By integrating \textbf{B}lock diagonal regularization into LoRD, expressed as the maximization of the Frobenius norm, we propose \textbf{B-LoRD}, which further enhances the clustering performance. To ensure numerical solvability, we transform the non-convex doubly stochastic constraint into a linear convex constraint through the introduction of a class probability parameter. We further theoretically demonstrate the gradient Lipschitz continuity of our LoRD and B-LoRD enables the proposal of a globally convergent projected gradient descent algorithm for their optimization. Extensive experiments validate the effectiveness of our approaches. The code is publicly available at https://github.com/lwl-learning/LoRD.
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