arXiv:2512.07879cs.LG2025-12被引 1

从几何角度重构数据锥,提升非负矩阵分解的聚类效果

Nonnegative Matrix Factorization through Cone Collapse

  • 通过收缩数据所在的凸锥来发现核心方向
  • 在16个数据集上聚类纯度超越主流方法
  • 适合需要理论保证的生物、文本和图像聚类任务

非负矩阵分解(NMF)广泛用于视觉、文本和生物信息学中的低维部件表示。在聚类中,正交NMF(ONMF)进一步对表示矩阵施加近似正交性,使其行作为软聚类指示符。现有算法多基于优化视角,未显式利用NMF带来的锥几何结构:数据点位于一个凸锥中,其极射线编码基本方向或“主题”。本文从几何视角重新审视NMF,提出锥坍缩(Cone Collapse)算法,从全非负象限出发,迭代收缩至由数据生成的最小锥。在数据满足弱假设条件下,证明该算法有限步内终止,并恢复出$\mathbf{X}^\top$的最小生成锥。在此基础上,构建锥感知的正交NMF模型(CC-NMF),将单正交NMF应用于恢复的极射线。在16个基准基因表达、文本和图像数据集上,CC-NMF持续匹配或超越多重更新、ANLS、投影NMF、ONMF和稀疏NMF等强基线,在聚类纯度上表现优异。结果表明,显式恢复数据锥可带来理论坚实且实证有效的NMF聚类方法。

原文摘要 · Abstract (English)

Nonnegative matrix factorization (NMF) is a widely used tool for learning parts-based, low-dimensional representations of nonnegative data, with applications in vision, text, and bioinformatics. In clustering applications, orthogonal NMF (ONMF) variants further impose (approximate) orthogonality on the representation matrix so that its rows behave like soft cluster indicators. Existing algorithms, however, are typically derived from optimization viewpoints and do not explicitly exploit the conic geometry induced by NMF: data points lie in a convex cone whose extreme rays encode fundamental directions or "topics". In this work we revisit NMF from this geometric perspective and propose Cone Collapse, an algorithm that starts from the full nonnegative orthant and iteratively shrinks it toward the minimal cone generated by the data. We prove that, under mild assumptions on the data, Cone Collapse terminates in finitely many steps and recovers the minimal generating cone of $\mathbf{X}^\top$ . Building on this basis, we then derive a cone-aware orthogonal NMF model (CC-NMF) by applying uni-orthogonal NMF to the recovered extreme rays. Across 16 benchmark gene-expression, text, and image datasets, CC-NMF consistently matches or outperforms strong NMF baselines-including multiplicative updates, ANLS, projective NMF, ONMF, and sparse NMF-in terms of clustering purity. These results demonstrate that explicitly recovering the data cone can yield both theoretically grounded and empirically strong NMF-based clustering methods.

非负矩阵分解聚类几何方法数据锥

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