arXiv:2412.04082cs.LG2024-12

提出可学习权重的k近邻图,提升对称非负矩阵分解聚类效果

Learnable Similarity and Dissimilarity Guided Symmetric Non-Negative Matrix Factorization

  • 用可学习权重的k近邻图构建相似度矩阵,降低计算维度
  • 在8个数据集上优于9种先进聚类方法,显著提升聚类准确率
  • 适合需要高精度聚类且关注模型可解释性的研究者使用

对称非负矩阵分解(SymNMF)是强大的聚类工具,通常采用k近邻(k-NN)构建相似度矩阵。然而,k-NN可能因邻居属于不同类别而误导聚类,且随着k增大可靠性下降。本文提出基于可学习权重的加权k-NN图构建相似度矩阵,将相似度矩阵学习的搜索空间从传统O(n²)降至n−1维(n为样本数)。为获得更具判别性的相似度矩阵,引入具有双重结构的差异度矩阵,并提出一种新正交性正则化形式,讨论其几何意义与数值稳定性。设计了高效交替优化算法,理论保证变量收敛至满足KKT条件的驻点。在8个数据集上与9种前沿聚类方法对比,验证了所提模型的优势。代码已开源。

原文摘要 · Abstract (English)

Symmetric nonnegative matrix factorization (SymNMF) is a powerful tool for clustering, which typically uses the $k$-nearest neighbor ($k$-NN) method to construct similarity matrix. However, $k$-NN may mislead clustering since the neighbors may belong to different clusters, and its reliability generally decreases as $k$ grows. In this paper, we construct the similarity matrix as a weighted $k$-NN graph with learnable weight that reflects the reliability of each $k$-th NN. This approach reduces the search space of the similarity matrix learning to $n - 1$ dimension, as opposed to the $\mathcal{O}(n^2)$ dimension of existing methods, where $n$ represents the number of samples. Moreover, to obtain a discriminative similarity matrix, we introduce a dissimilarity matrix with a dual structure of the similarity matrix, and propose a new form of orthogonality regularization with discussions on its geometric interpretation and numerical stability. An efficient alternative optimization algorithm is designed to solve the proposed model, with theoretically guarantee that the variables converge to a stationary point that satisfies the KKT conditions. The advantage of the proposed model is demonstrated by the comparison with nine state-of-the-art clustering methods on eight datasets. The code is available at \url{https://github.com/lwl-learning/LSDGSymNMF}.

聚类非负矩阵分解相似度学习

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