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 nonnegative matrix factorization




Maximum-Volume Nonnegative Matrix Factorization

Thanh, Olivier Vu, Gillis, Nicolas

arXiv.org Machine Learning

Nonnegative matrix factorization (NMF) is a popular data embedding technique. Given a nonnegative data matrix $X$, it aims at finding two lower dimensional matrices, $W$ and $H$, such that $X\approx WH$, where the factors $W$ and $H$ are constrained to be element-wise nonnegative. The factor $W$ serves as a basis for the columns of $X$. In order to obtain more interpretable and unique solutions, minimum-volume NMF (MinVol NMF) minimizes the volume of $W$. In this paper, we consider the dual approach, where the volume of $H$ is maximized instead; this is referred to as maximum-volume NMF (MaxVol NMF). MaxVol NMF is identifiable under the same conditions as MinVol NMF in the noiseless case, but it behaves rather differently in the presence of noise. In practice, MaxVol NMF is much more effective to extract a sparse decomposition and does not generate rank-deficient solutions. In fact, we prove that the solutions of MaxVol NMF with the largest volume correspond to clustering the columns of $X$ in disjoint clusters, while the solutions of MinVol NMF with smallest volume are rank deficient. We propose two algorithms to solve MaxVol NMF. We also present a normalized variant of MaxVol NMF that exhibits better performance than MinVol NMF and MaxVol NMF, and can be interpreted as a continuum between standard NMF and orthogonal NMF. We illustrate our results in the context of hyperspectral unmixing.


A review of NMF, PLSA, LBA, EMA, and LCA with a focus on the identifiability issue

Qi, Qianqian, van der Heijden, Peter G. M.

arXiv.org Machine Learning

Across fields such as machine learning, social science, geography, considerable attention has been given to models that factorize a nonnegative matrix into the product of two or three matrices, subject to nonnegative or row-sum-to-1 constraints. Although these models are to a large extend similar or even equivalent, they are presented under different names, and their similarity is not well known. This paper highlights similarities among five popular models, latent budget analysis (LBA), latent class analysis (LCA), end-member analysis (EMA), probabilistic latent semantic analysis (PLSA), and nonnegative matrix factorization (NMF). We focus on an essential issue-identifiability-of these models and prove that the solution of LBA, EMA, LCA, PLSA is unique if and only if the solution of NMF is unique. We also provide a brief review for algorithms of these models. We illustrate the models with a time budget dataset from social science, and end the paper with a discussion of closely related models such as archetypal analysis.


Nonnegative Matrix Factorization through Cone Collapse

Nguyen, Manh, Pimentel-Alarcón, Daniel

arXiv.org Artificial Intelligence

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.




A Provably-Correct and Robust Convex Model for Smooth Separable NMF

Pan, Junjun, Leplat, Valentin, Ng, Michael, Gillis, Nicolas

arXiv.org Machine Learning

Nonnegative matrix factorization (NMF) is a linear dimensionality reduction technique for nonnegative data, with applications such as hyperspectral unmixing and topic modeling. NMF is a difficult problem in general (NP-hard), and its solutions are typically not unique. To address these two issues, additional constraints or assumptions are often used. In particular, separability assumes that the basis vectors in the NMF are equal to some columns of the input matrix. In that case, the problem is referred to as separable NMF (SNMF) and can be solved in polynomial-time with robustness guarantees, while identifying a unique solution. However, in real-world scenarios, due to noise or variability, multiple data points may lie near the basis vectors, which SNMF does not leverage. In this work, we rely on the smooth separability assumption, which assumes that each basis vector is close to multiple data points. We explore the properties of the corresponding problem, referred to as smooth SNMF (SSNMF), and examine how it relates to SNMF and orthogonal NMF. We then propose a convex model for SSNMF and show that it provably recovers the sought-after factors, even in the presence of noise. We finally adapt an existing fast gradient method to solve this convex model for SSNMF, and show that it compares favorably with state-of-the-art methods on both synthetic and hyperspectral datasets.


Robustness of Minimum-Volume Nonnegative Matrix Factorization under an Expanded Sufficiently Scattered Condition

Barbarino, Giovanni, Gillis, Nicolas, Saha, Subhayan

arXiv.org Machine Learning

In fact, low-rank approximations are a central tool in data analysis, being equivalent to linear dimensionality reductions techniques, with PCA and the truncated SVD as the workhorse approaches [60, 59, 45]. However, due to the sheer number of possible such decompositions, the information provided is hardly interpretable. This motivated researchers to introduce more constrained low-rank approximations. Among them, nonnegative matrix factorization (NMF) focuses on nonnegative input matrices X and imposes the factors, W and H, to be nonnegative entry-wise. Nonnegativity is motivated by physical constraints, such as nonnegative sources and activations in hyperspectral imaging [9], chemometrics [15] and audio source separation [52], and by probabilistic modeling, such as topic modeling [39, 3] and unmixing of independent distributions [38]. Moreover, NMF leads to an easily-interpretable and part-based representation of the data [39]. See also [13, 19, 25] and the references therein.


On Algorithms for Sparse Multi-factor NMF

Siwei Lyu, Xin Wang

Neural Information Processing Systems

Nonnegative matrix factorization (NMF) is a popular data analysis method, the objective of which is to approximate a matrix with all nonnegative components into the product of two nonnegative matrices. In this work, we describe a new simple and efficient algorithm for multi-factor nonnegative matrix factorization (mfNMF) problem that generalizes the original NMF problem to more than two factors. Furthermore, we extend the mfNMF algorithm to incorporate a regularizer based on the Dirichlet distribution to encourage the sparsity of the components of the obtained factors. Our sparse mfNMF algorithm affords a closed form and an intuitive interpretation, and is more efficient in comparison with previous works that use fix point iterations. We demonstrate the effectiveness and efficiency of our algorithms on both synthetic and real data sets.