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.
Figures & tables
Figure 1: Illustration of the construction of multi-scale topological graphs from persistent homology. (a) Vietoris–Rips complex X(ε) on a dataset X∈R2×10 . (b) The associated 0 -dimensional persistence diagram D0 , encoding the death times of connected components. (c) A sequence of weighted graphs defined at the persistence-based scales {εt} , which serve as the multi-scale topological graphs.
Figure 2: Multi-scale embeddings visualization on simulation data. The first panel shows the intrinsic three-dimensional simulation data before embedding into a 100-dimensional ambient space. The remaining nine panels display the corresponding two-dimensional embeddings {Ht}t=180 uniformly sampled across scales.
Figure 3: Effect of persistence-based scale selection on multi-scale embeddings visualization. Each column corresponds to the same scale index, while each row represents a different scale selection strategy, ordered as pNMF, pNMF-UDS, pNMF-RDS, and pNMF-MSS.
Figure 4: Correlations among scale increments, Laplacian increments, and embedding increments for pNMF. Left: Correlation between Δεt and ΔLt ; Middle: Correlation between ΔLt and ΔHt ; Right: Correlation between Δεt and ΔHt . Correlation coefficients and p-values are reported in each panel.
Dataset
Metric
NMF
GNMF
TNMF
k -TNMF
pNMF
pNMF-best
GSE75748time
ARI ↑
0.611
0.602
0.644
0.592
0.722
0.727
NMI ↑
0.735
0.731
0.768
0.711
0.854
0.860
Purity ↑
0.745
0.720
0.749
0.751
0.850
0.852
Accuracy ↑
0.693
0.679
0.744
0.736
0.850
0.852
GSE94820
ARI ↑
0.547
0.615
0.617
0.607
0.629
0.629
NMI ↑
0.665
0.710
0.705
0.699
0.724
0.724
Table 1: Clustering results of different methods on scRNA-seq datasets.
Figure 5: Multi-scale clustering Accuracy across different scales t . The curves compare pNMF and baseline methods in terms of Accuracy as the scale index varies.
Figure 6: Clustering performance across different label granularities on the GSE75748time dataset. Each subfigure corresponds to a clustering metric (ARI, NMI, Purity, or Accuracy) and shows the performance across different label granularities (6-, 5-, 4-, and 3-class labels) as a function of the scale index t .
Appendix figures & tables4 assets
Supplementary material from the paper’s appendix.
Appendix
Figure 7: Empirical convergence behavior of pNMF on the simulation dataset. (a) Objective function value versus outer iteration. (b) Relative decrease of the objective function between successive outer iterations. (c) Fine-grained evolution of the objective function across all update steps in the outer–scale–inner optimization process.
Figure 8: Effect of regularization ablation on multi-scale embedding visualization. Each column corresponds to the same scale index, while each row represents a different model variant. From top to bottom: pNMF (Full), pNMF-noGeom, pNMF-noSmooth, pNMF-noAnchor, pNMF-GeomOnly, and pNMF-SmoothOnly.
Figure 9: t-SNE and UMAP visualizations for scRNA-seq datasets. Each dataset is represented by two rows of panels: the first row shows t-SNE embeddings and the second row shows UMAP embeddings. The first column corresponds to the raw data X directly visualized, while the remaining columns show embeddings from different methods.
Figure 10: Parameter analysis radar charts for scRNA-seq datasets. Each chart displays the clustering performance of pNMF under 27 combinations of regularization parameters λ1 , λ2 , and λ3 . The metrics plotted are ARI, NMI, Purity, Accuracy, and their average.
Separable nonnegative matrix factorization (SNMF) has been widely used for low-rank representation and clustering of nonnegative data, owing to its ability to produce part-based and interpretable decompositions. In particular, SNMF is closely related to graph clustering and community detection. To enhance sparsity and identifiability of the learned factors, we propose an ℓ1p/ℓ2-regularized SNMF model based on a powered ratio-of-norms regularizer. The resulting formulation is nonconvex and nonsmooth, which poses significant challenges for optimization. To address this, we develop efficient algorithms based on the difference-of-convex function algorithm (DCA) and the alternating direction method of multipliers (ADMM). The proposed methods decompose the original problem into tractable subproblems, leveraging closed-form proximal operators associated with the powered norm terms. We establish descent and limiting criticality properties for the DCA scheme and convergence under standard assumptions for the ADMM scheme. Extensive numerical experiments on synthetic datasets and hand gesture classification tasks demonstrate that the proposed approach achieves competitive or improved performance in anchor identification and classification accuracy compared with existing SNMF methods, while maintaining competitive computational efficiency.
Matthew McCarver, Jing Qin
Department of Mathematics, University of Kentucky, Lexington, KY 40506, USA
We investigate the learning of interpretable bases in non-negative matrix factorisation (NMF) by regularising the topology of the learned basis functions. Our approach is motivated by the observation that many data modalities can be viewed as non-negative functions on a structured domain, where the quality of a basis is intrinsically linked to its topology. However, naive methods for incorporating the topology of the support are often hindered by discreteness and threshold dependence, rendering them unsuitable for continuous optimisation. We address these challenges by employing persistent homology as a stable, threshold-free topological quantifier and by designing topological scores that integrate into the NMF objective as regularisers. The resulting framework encompasses spatially coherent image components, periodic time-series structures, and clique-like graph signals within a unified modelling language.
Matias de Jong van Lier, Shizuo Kaji, Keunsu Kim
Recursive Inc. · Tokyo, 150-0002, Japan · Graduate School of Science +5
Dimensionality reduction (DR) involves two longstanding trade-offs. First, preserving local neighborhoods can come at the cost of global structure. Neighbor embedding methods such as t-SNE and UMAP prioritize local similarity preservation but do not explicitly constrain global organization, whereas standard spectral methods such as Laplacian Eigenmaps capture smooth, coarse-scale graph structure but offer limited flexibility to depict finer local structure. Second, the flexibility of nonlinear DR methods often comes at the cost of analytical transparency. Many methods do not explicitly reveal how high-dimensional structure produces patterns in the embedding. We introduce SDMP (Spectral Decomposition for Multiscale Projection), a nonlinear DR framework built on an explicit spectral decomposition. In this formulation, each embedding dimension is expressed as a weighted combination of Laplacian eigenvectors derived from a neighborhood graph, with the weights learned via a UMAP-style cross-entropy objective. By progressively expanding the spectral subspace to capture increasingly fine graph structure, SDMP produces a sequence of embeddings, making the evolving balance between global organization and local detail explicit, controllable, and inspectable. The explicit decomposition also reveals which spectral scales shape the overall embedding and how individual eigenvectors influence point positions. Quantitative evaluations on synthetic, image, and single-cell data show competitive local and global structure preservation, while case studies illustrate how the decomposition supports interpretation of clusters and developmental trajectories across spectral scales.
Zeyang Huang, Angelos Chatzimparmpas, Thomas Höllt +1
Linköping University, Sweden · Utrecht University, The Netherlands · University of Bergen, Norway +1