Conference Paper

Exact Sparse Nonnegative Least Squares

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... Cohen and Gillis (2019) proposed a method that solves exactly the k-sparse NNLS subproblems using a bruteforce approach. Nadisic et al. (2020) extended this work by replacing the bruteforce subroutine by a dedicated branch-and-bound algorithm. To the best of our knowledge, no existing work considered a matrix-wise 0 constraint. ...
... The algorithm Arborescent (Nadisic et al. 2020) is a branch-and-bound algorithm designed to solve exactly k-sparse NNLS problems. In a nutshell, Arborescent enumerates the possible supports (that is, the possible patterns of zeros) on a search tree, as shown in Fig. 2. ...
... For one subproblem, that is, to generate one Pareto front, we have that • The cost of Arborescent depends on the number of nodes explored in the branch and bound. In the worst case, it is of the same order as the bruteforce algorithm, and requires to solve r k NNLS subproblems, while, in the best case, it is of the order of r (Nadisic et al. 2020). Empirically, the cost is far from the worst case but grows faster than linear with r. • The cost of NNOMP is in O(mr 4 ) operations (Yaghoobi et al. 2015). ...
Article
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Nonnegative least squares problems with multiple right-hand sides (MNNLS) arise in models that rely on additive linear combinations. In particular, they are at the core of most nonnegative matrix factorization algorithms and have many applications. The nonnegativity constraint is known to naturally favor sparsity, that is, solutions with few non-zero entries. However, it is often useful to further enhance this sparsity, as it improves the interpretability of the results and helps reducing noise, which leads to the sparse MNNLS problem. In this paper, as opposed to most previous works that enforce sparsity column- or row-wise, we first introduce a novel formulation for sparse MNNLS, with a matrix-wise sparsity constraint. Then, we present a two-step algorithm to tackle this problem. The first step divides sparse MNNLS in subproblems, one per column of the original problem. It then uses different algorithms to produce, either exactly or approximately, a Pareto front for each subproblem, that is, to produce a set of solutions representing different tradeoffs between reconstruction error and sparsity. The second step selects solutions among these Pareto fronts in order to build a sparsity-constrained matrix that minimizes the reconstruction error. We perform experiments on facial and hyperspectral images, and we show that our proposed two-step approach provides more accurate results than state-of-the-art sparse coding heuristics applied both column-wise and globally.
... Sparse NMF is usually solved by extending standard NMF algorithms with a regularization such as the 1 penalty [9,11], or constraints on some sparsity measure, like the one introduced in [10]. Recently, exact k-sparse methods based on the 0 -"norm" have been used for NMF, using a brute-force approach [4], or a dedicated branch-and-bound algorithm [16]. They allow the explicit definition of a maximum number (usually noted k) of non-zero entries per column of H. ...
... In particular, a brute-force approach could tackle this problem by solving O(r k ) NNLS problems. However, this combinatorial subproblem can be solved exactly and at a reasonable cost by dedicated branch-and-bound algorithms, such as arborescent [16], given that r is sufficiently small, which is typically the case in practice. Even when k is fixed, the following result shows that no provably correct algorithm exists for solving SSNMF in polynomial time (unless P=NP): ...
... On Lines 3 to 5, we apply a postprocessing to the selected points by checking whether they are k-sparse combinations of other selected points; this is a k-sparse NNLS problem solved with arborescent [16]. If they are, then they cannot be vertices and they are discarded, such as point M 1 in Figure 1b which belongs to the segment [W 1 , W 4 ]. ...
Conference Paper
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We propose a new variant of nonnegative matrix factorization (NMF), combining separability and sparsity assumptions. Separability requires that the columns of the first NMF factor are equal to columns of the input matrix, while sparsity requires that the columns of the second NMF factor are sparse. We call this variant sparse separable NMF (SSNMF), which we prove to be NP-complete, as opposed to separable NMF which can be solved in polynomial time. The main motivation to consider this new model is to handle underdetermined blind source separation problems, such as multispectral image unmixing. We introduce an algorithm to solve SSNMF, based on the successive nonnegative projection algorithm (SNPA, an effective algorithm for separable NMF), and an exact sparse nonnegative least squares solver. We prove that, in noiseless settings and under mild assumptions, our algorithm recovers the true underlying sources. This is illustrated by experiments on synthetic data sets and the unmixing of a multispectral image.
... Sparse NMF is usually solved by extending standard NMF algorithms with a regularization such as the 1 penalty [9,11], or constraints on some sparsity measure, like the one introduced in [10]. Recently, exact k-sparse methods based on the 0 -"norm" have been used for NMF, using a brute-force approach [4], or a dedicated branch-and-bound algorithm [16]. They allow the explicit definition of a maximum number (usually noted k) of non-zero entries per column of H. ...
... In particular, a brute-force approach could tackle this problem by solving O(r k ) NNLS problems. However, this combinatorial subproblem can be solved exactly and at a reasonable cost by dedicated branch-and-bound algorithms, such as arborescent [16], given that r is sufficiently small, which is typically the case in practice. Even when k is fixed, the following result shows that no provably correct algorithm exists for solving SSNMF in polynomial time (unless P=NP): ...
... On Lines 3 to 5, we apply a postprocessing to the selected points by checking whether they are k-sparse combinations of other selected points; this is a k-sparse NNLS problem solved with arborescent [16]. If they are, then they cannot be vertices and they are discarded, such as point M 1 in Figure 1b which belongs to the segment [W 1 , W 4 ]. ...
Preprint
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We propose a new variant of nonnegative matrix factorization (NMF), combining separability and sparsity assumptions. Separability requires that the columns of the first NMF factor are equal to columns of the input matrix, while sparsity requires that the columns of the second NMF factor are sparse. We call this variant sparse separable NMF (SSNMF), which we prove to be NP-complete, as opposed to separable NMF which can be solved in polynomial time. The main motivation to consider this new model is to handle underdetermined blind source separation problems, such as multispectral image unmixing. We introduce an algorithm to solve SSNMF, based on the successive nonnegative projection algorithm (SNPA, an effective algorithm for separable NMF), and an exact sparse nonnegative least squares solver. We prove that, in noiseless settings and under mild assumptions, our algorithm recovers the true underlying sources. This is illustrated by experiments on synthetic data sets and the unmixing of a multispectral image.
... Analysis of similar sparsity constrained problems using gauge function is given in Chandrasekaran et al. (2012) which also proposes a MIP-based solution. In a recent study Nadisic et al. (2020), it was also proposed to adapt the Branch and Bound algorithm to solve this problem. The thesis of the present paper is that one can solve to optimality a large number of instances by using a judicious enumeration strategy. ...
... Comparison with Arborescent One of the main alternatives to our algorithm is another enumeration algorithm called Arborescent Nadisic et al. (2020). That approach uses a branch and bound idea to solve the sparse NNLS problem. ...
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Computing sparse solutions to overdetermined linear systems is a ubiquitous problem in several fields such as regression analysis, signal and image processing, information theory and machine learning. Additional non-negativity constraints in the solution are useful for interpretability. Most of the previous research efforts aimed at approximating the sparsity constrained linear least squares problem, and/or finding local solutions by means of descent algorithms. The objective of the present paper is to report on an efficient and modular implicit enumeration algorithm to find provably optimal solutions to the NP-hard problem of sparsity-constrained non-negative least squares. We focus on the problem where the system is assumed to be over-determined where the matrix has full column rank. Numerical results with real test data as well as comparisons of competing methods and an application to hyperspectral imaging are reported. Finally, we present a Python library implementation of our algorithm.
... We now focus on heuristics to find candidate solutions to MSC. Similarly to sparse coding, MSC is an NP-hard problem for which obtaining the global solution typically requires costly algorithms [64,65]. Therefore, in the following section, several heuristics are proposed that aim at finding good sparse approximations in reasonable time. ...
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Constrained tensor and matrix factorization models allow to extract interpretable patterns from multiway data. Therefore crafting efficient algorithms for constrained low-rank approximations is nowadays an important research topic. This work deals with columns of factor matrices of a low-rank approximation being sparse in a known and possibly overcomplete basis, a model coined as Dictionary-based Low-Rank Approximation (DLRA). While earlier contributions focused on finding factor columns inside a dictionary of candidate columns, i.e., one-sparse approximations, this work is the first to tackle DLRA with sparsity larger than one. I propose to focus on the sparse-coding subproblem coined Mixed Sparse-Coding (MSC) that emerges when solving DLRA with an alternating optimization strategy. Several algorithms based on sparse-coding heuristics (greedy methods, convex relaxations) are provided to solve MSC. The performance of these heuristics is evaluated on simulated data. Then, I show how to adapt an efficient MSC solver based on the LASSO to compute Dictionary-based Matrix Factorization and Canonical Polyadic Decomposition in the context of hyperspectral image processing and chemometrics. These experiments suggest that DLRA extends the modeling capabilities of low-rank approximations, helps reducing estimation variance and enhances the identifiability and interpretability of estimated factors.
... We now focus on heuristics to find candidate solutions to MSC. Similarly to sparse coding, MSC is an NP-hard problem for which obtaining the global solution typically requires costly algorithms (Bourguignon et al., 2015;Nadisic et al., 2020). Therefore, in the following section, several heuristics are proposed that aim at finding good sparse approximations in reasonable time. ...
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Constrained tensor and matrix factorization models allow to extract interpretable patterns from multiway data. Therefore identifiability properties and efficient algorithms for constrained low-rank approximations are nowadays important research topics. This work deals with columns of factor matrices of a low-rank approximation being sparse in a known and possibly overcomplete basis, a model coined as Dictionary-based Low-Rank Approximation (DLRA). While earlier contributions focused on finding factor columns inside a dictionary of candidate columns, i.e. one-sparse approximations, this work is the first to tackle DLRA with sparsity larger than one. I propose to focus on the sparse-coding subproblem coined Mixed Sparse-Coding (MSC) that emerges when solving DLRA with an alternating optimization strategy. Several algorithms based on sparse-coding heuristics (greedy methods, convex relaxations) are provided to solve MSC. The performance of these heuristics is evaluated on simulated data. Then, I show how to adapt an efficient MSC solver based on the LASSO to compute Dictionary-based Matrix Factorization and Canonical Polyadic Decomposition in the context of hyperspectral image processing and chemometrics. These experiments suggest that DLRA extends the modeling capabilities of low-rank approximations, helps reducing estimation variance and enhances the identifiability and interpretability of estimated factors.
... Greedy schemes are standard techniques for sparse approximation, with a relatively low computing cost compared to exact methods [4,28], while convex relaxation yields another important branch of approximate methods [33,14]. ...
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... Estimating early re ections knowing their number can be recast as a sparse coding problem. Unfortunately, problems in this class are not necessarily easier to solve, but it was shown that they produce more accurate solutions [Bourguignon et al. 2015;Nadisic et al. 2020]. ...
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... Cohen and Gillis (2019) proposed a method that solves exactly the k-sparse NNLS subproblems, using a bruteforce approach. Nadisic et al (2020) extended this work by replacing the bruteforce subroutine by a dedicated branch-and-bound algorithm. ...
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Nonnegative least squares (NNLS) problems arise in models that rely on additive linear combinations. In particular, they are at the core of nonnegative matrix factorization (NMF) algorithms. The nonnegativity constraint is known to naturally favor sparsity, that is, solutions with few non-zero entries. However, it is often useful to further enhance this sparsity, as it improves the interpretability of the results and helps reducing noise. While the 0\ell_0-"norm", equal to the number of non-zeros entries in a vector, is a natural sparsity measure, its combinatorial nature makes it difficult to use in practical optimization schemes. Most existing approaches thus rely either on its convex surrogate, the 1\ell_1-norm, or on heuristics such as greedy algorithms. In the case of multiple right-hand sides NNLS (MNNLS), which are used within NMF algorithms, sparsity is often enforced column- or row-wise, and the fact that the solution is a matrix is not exploited. In this paper, we first introduce a novel formulation for sparse MNNLS, with a matrix-wise 0\ell_0 sparsity constraint. Then, we present a two-step algorithm to tackle this problem. The first step uses a homotopy algorithm to produce the whole regularization path for all the 1\ell_1-penalized NNLS problems arising in MNNLS, that is, to produce a set of solutions representing different tradeoffs between reconstruction error and sparsity. The second step selects solutions among these paths in order to build a sparsity-constrained matrix that minimizes the reconstruction error. We illustrate the advantages of our proposed algorithm for the unmixing of facial and hyperspectral images.
... Theoretical results on NNLS have shown that, especially when the dimension of Q is large (large K and E in our case), the solutions tend to be very sparse [58,59,60]. The optimization problem can be solved by the widely used algorithm in [61] (see also a faster version in [62]), as well as by concurrent work on exact sparse NNLS [63] and even strong GPU accelerations could be exploited [64,65] ...
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At the intersection of mathematics, engineering, and computer science sits the thriving field of compressive sensing. Based on the premise that data acquisition and compression can be performed simultaneously, compressive sensing finds applications in imaging, signal processing, and many other domains. In the areas of applied mathematics, electrical engineering, and theoretical computer science, an explosion of research activity has already followed the theoretical results that highlighted the efficiency of the basic principles. The elegant ideas behind these principles are also of independent interest to pure mathematicians.A Mathematical Introduction to Compressive Sensing gives a detailed account of the core theory upon which the field is build. With only moderate prerequisites, it is an excellent textbook for graduate courses in mathematics, engineering, and computer science. It also serves as a reliable resource for practitioners and researchers in these disciplines who want to acquire a careful understanding of the subject. A Mathematical Introduction to Compressive Sensing uses a mathematical perspective to present the core of the theory underlying compressive sensing.
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We investigate fast methods that allow to quickly eliminate variables (features) in supervised learning problems involving a convex loss function and a l1l_1-norm penalty, leading to a potentially substantial reduction in the number of variables prior to running the supervised learning algorithm. The methods are not heuristic: they only eliminate features that are {\em guaranteed} to be absent after solving the learning problem. Our framework applies to a large class of problems, including support vector machine classification, logistic regression and least-squares. The complexity of the feature elimination step is negligible compared to the typical computational effort involved in the sparse supervised learning problem: it grows linearly with the number of features times the number of examples, with much better count if data is sparse. We apply our method to data sets arising in text classification and observe a dramatic reduction of the dimensionality, hence in computational effort required to solve the learning problem, especially when very sparse classifiers are sought. Our method allows to immediately extend the scope of existing algorithms, allowing us to run them on data sets of sizes that were out of their reach before.
Conference Paper
We describe a recursive algorithm to compute representations of functions with respect to nonorthogonal and possibly overcomplete dictionaries of elementary building blocks e.g. affine (wavelet) frames. We propose a modification to the matching pursuit algorithm of Mallat and Zhang (1992) that maintains full backward orthogonality of the residual (error) at every step and thereby leads to improved convergence. We refer to this modified algorithm as orthogonal matching pursuit (OMP). It is shown that all additional computation required for the OMP algorithm may be performed recursively
Conference Paper
Hyperspectral instruments acquire electromagnetic energy scattered within their ground instantaneous field view in hundreds of spectral channels with high spectral resolution. Very often, however, owing to low spatial resolution of the scanner or to the presence of intimate mixtures (mixing of the materials at a very small scale) in the scene, the spectral vectors (collection of signals acquired at different spectral bands from a given pixel) acquired by the hyperspectral scanners are actually mixtures of the spectral signatures of the materials present in the scene. Given a set of mixed spectral vectors, spectral mixture analysis (or spectral unmixing) aims at estimating the number of reference materials, also called endmembers, their spectral signatures, and their fractional abundances. Spectral unmixing is, thus, a source separation problem. This paper presents an overview of the principal research directions in hyperspectral unmixing. The paper is organized into six main topics: i) mixing models, ii) signal subspace identification, iii) geometrical-based spectral unmixing, iv) statistical-based spectral unmixing, v) sparse regression based unmixing, and vi) spatial-contextual information. For each topic, we summarize what is the mathematical problem involved and give relevant pointers to state-of-the-art algorithms to address these problems.
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Identification algorithms based on the well-known linear least squares methods of gaussian elimination, Cholesky decomposition, classical Gram-Schmidt, modified Gram-Schmidt, Householder transformation, Givens method, and singular value decomposition are reviewed. The classical Gram-Schmidt, modified Gram-Schmidt, and Householder transformation algorithms are then extended to combine structure determination, or which terms to include in the model, and parameter estimation in a very simple and efficient manner for a class of multivariate discrete-time non-linear stochastic systems which are linear in the parameters.
Conference Paper
Non-negative sparse coding is a method for decomposing multivariate data into non-negative sparse components. We briefly describe the motivation behind this type of data representation and its relation to standard sparse coding and non-negative matrix factorization. We then give a simple yet efficient multiplicative algorithm for finding the optimal values of the hidden components. In addition, we show how the basis vectors can be learned from the observed data. Simulations demonstrate the effectiveness of the proposed method.
A signal processing perspective on hyperspectral unmixing: Insights from remote sensing
  • Wing-Kin
  • José M Ma
  • Tsung-Han Bioucas-Dias
  • Nicolas Chan
  • Paul Gillis
  • Antonio J Gader
  • Plaza
A comparison of block pivoting and interior-point algorithms for linear least squares problems with nonnegative variables