arXiv:2512.03899cs.LGmath.AT2025-12被引 1

为模糊单纯集提供概率基础,解释UMAP的数学原理并指导新算法设计。

Probabilistic Foundations of Fuzzy Simplicial Sets for Nonlinear Dimensionality Reduction

  • 将模糊单纯集视为单纯集上概率测度的边缘分布,建立概率解释框架。
  • 揭示UMAP的权重源于随机尺度的维特里斯滤链采样,生成距离累积分布。
  • 可系统推导新降维方法,适合对理论机制感兴趣的算法研究者。

模糊单纯集在降维与流形学习中日益重要,尤其体现在UMAP中。然而,其基于代数拓扑的定义缺乏明确的概率解释,与常用理论框架脱节。本文提出一个新框架,将模糊单纯集解释为单纯集上概率测度的边际分布。具体而言,该视角表明UMAP的模糊权重源于在随机尺度下采样维特里斯滤链,生成成对距离的累积分布函数。更一般地,该框架将模糊单纯集与面序集上的概率模型相联系,阐明了KL散度与模糊交叉熵的关系,并通过底单纯集上的布尔运算恢复标准t-范式与t-反范式。进一步,我们展示如何基于此框架推导新嵌入方法,并以使用三角采样的契赫滤链推广UMAP为例说明。总体而言,这一概率视角为模糊单纯集提供了统一的理论基础,厘清了UMAP的角色,并支持系统性构造新降维方法。

原文摘要 · Abstract (English)

Fuzzy simplicial sets have become an object of interest in dimensionality reduction and manifold learning, most prominently through their role in UMAP. However, their definition through tools from algebraic topology without a clear probabilistic interpretation detaches them from commonly used theoretical frameworks in those areas. In this work we introduce a framework that explains fuzzy simplicial sets as marginals of probability measures on simplicial sets. In particular, this perspective shows that the fuzzy weights of UMAP arise from a generative model that samples Vietoris-Rips filtrations at random scales, yielding cumulative distribution functions of pairwise distances. More generally, the framework connects fuzzy simplicial sets to probabilistic models on the face poset, clarifies the relation between Kullback-Leibler divergence and fuzzy cross-entropy in this setting, and recovers standard t-norms and t-conorms via Boolean operations on the underlying simplicial sets. We then show how new embedding methods may be derived from this framework and illustrate this on an example where we generalize UMAP using Čech filtrations with triplet sampling. In summary, this probabilistic viewpoint provides a unified probabilistic theoretical foundation for fuzzy simplicial sets, clarifies the role of UMAP within this framework, and enables the systematic derivation of new dimensionality reduction methods.

降维概率建模UMAP拓扑学习

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