Exact Rank-Space KL Projection for Shared-Marginal Low-Rank Factors: Application to Doubly Stochastic Clustering

Symmetric nonnegative matrix factorization (Symmetric NMF) approximates a matrix as $WW^T$ with nonnegative rectangular factor $W$. It has broad applications in graph clustering and machine learning. In contrast to the NMF, projected gradient methods for the symmetric problem had been associated with slow convergence. To address this, we introduce SNMPBB, the first adaptation of nonmonotone projected Barzilai-Borwein methods to Symmetric NMF, demonstrating that gradient algorithms are significantly more effective than previously understood. We further extend SNMPBB to graph clustering using the graph Laplacian regularization (Graph-SNMPBB) and to large problems with low-rank approximations (LAI-SNMPBB). For all variants we prove global convergence to first-order stationary points and also that Barzilai-Borwein curvature information is preserved with randomized approximations. On synthetic data, SNMPBB achieves 6 times speedup over the alternative SymANLS for similar residuals, with advantages growing at higher ranks. Across six real-world clustering benchmarks, Graph-SNMPBB matches or exceeds SymANLS accuracy. Lastly, LAI-SNMPBB outperforms state-of-the-art LAI-SymPGNCG on 34 SuiteSparse matrices in both runtime and residual quality.

Spectral methods are among the most widely used techniques for community detection, clustering, and graph learning. Their performance, however, critically depends on the accurate estimation of the underlying spectral subspace and can deteriorate substantially in the presence of noise, outliers, or model perturbations. To address this limitation, we propose a Regularized Projection Matrix Approximation (RPMA) framework for robust estimation of rank-$K$ projection matrices. RPMA extends classical spectral projection by incorporating a regularization term, producing projection estimates that are more robust, sparse, and interpretable. We formulate the proposed model as an optimization problem on the manifold of rank-$K$ projection matrices and exploit its geometric equivalence to the Grassmann manifold. Based on this manifold characterization, we derive the first- and second-order optimality conditions, establish the local stability of the regularized leading eigenspace, and characterize the stability of the critical-point landscape under sufficiently small regularization. To efficiently solve the resulting nonconvex optimization problem, we develop a Riemannian gradient projection algorithm with backtracking line search, together with a more efficient Cayley--Sherman--Morrison--Woodbury (Cayley--SMW) gradient method that avoids repeated eigendecompositions. Extensive experiments on both synthetic and real-world datasets demonstrate that RPMA substantially improves the recovery accuracy of projection matrices and consistently outperforms conventional spectral projection methods for community detection and clustering under noisy environments.

Nonnegative Matrix Factorization (NMF) is a fundamental tool in unsupervised learning, which approximates a nonnegative matrix by the product of two low-rank nonnegative factors. The Kullback-Leibler (KL) divergence is best suited to measure the data to model discrepancy when the decomposed data sample follows a Poisson distribution, which is the case for count datasets such as term-document matrices or images. Most KL-NMF algorithms in the literature minimize a separable majorant of the loss to find their next iterate. We argue that this method has reached its limits and propose to use instead the second-order Taylor expansion of the loss, leading to a Newton-type method. We minimize this non-separable surrogate by proposing a generalization of the well-known HALS algorithm. This yields an efficient KL-NMF algorithm which provably converges and which competes favorably with state-of-the-art algorithms on a large variety of datasets.