提出多尺度图正则化NMF,实现跨尺度连通性一致的低秩表示。
Persistent Nonnegative Matrix Factorization via Multi-Scale Graph Regularization
- 基于持续同调确定关键尺度,构建多尺度图拉普拉斯正则化
- 在单细胞测序数据上验证了多尺度嵌入的有效性,收敛性有保证
- 适合需要跨尺度结构分析的生物数据与高维降维任务
非负矩阵分解(NMF)广泛用于降维和可解释的数据表示。然而,现有NMF方法本质上是单尺度的,无法捕捉连接结构随分辨率变化的演化过程。本文提出持续非负矩阵分解(pNMF),一种参数化尺度的NMF族,生成一系列与持久性对齐的嵌入而非单一结果。通过持续同调,识别出底层连通性发生定性变化的规范最小充分尺度集。这些规范尺度诱导出一系列图拉普拉斯算子,从而形成具有尺度间几何正则化和显式跨尺度一致性约束的耦合NMF公式。我们分析了沿尺度参数的嵌入结构特性,并建立了相邻尺度间增量的边界。所提出的模型定义了一条非平凡的跨尺度解路径,而非单一分解,带来了新的计算挑战。我们设计了一种具有收敛保证的顺序交替优化算法。在合成数据和单细胞RNA测序数据上的实验表明,该方法在多尺度低秩嵌入中具有有效性。
原文摘要 · Abstract (English)
Matrix factorization techniques, especially Nonnegative Matrix Factorization (NMF), have been widely used for dimensionality reduction and interpretable data representation. However, existing NMF-based methods are inherently single-scale and fail to capture the evolution of connectivity structures across resolutions. In this work, we propose persistent nonnegative matrix factorization (pNMF), a scale-parameterized family of NMF problems, that produces a sequence of persistence-aligned embeddings rather than a single one. By leveraging persistent homology, we identify a canonical minimal sufficient scale set at which the underlying connectivity undergoes qualitative changes. These canonical scales induce a sequence of graph Laplacians, leading to a coupled NMF formulation with scale-wise geometric regularization and explicit cross-scale consistency constraint. We analyze the structural properties of the embeddings along the scale parameter and establish bounds on their increments between consecutive scales. The resulting model defines a nontrivial solution path across scales, rather than a single factorization, which poses new computational challenges. We develop a sequential alternating optimization algorithm with guaranteed convergence. Numerical experiments on synthetic and single-cell RNA sequencing datasets demonstrate the effectiveness of the proposed approach in multi-scale low-rank embeddings.
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