Quadratically-Regularized Optimal Transport on Graphs

Optimal transportation provides a means of lifting distances between points on a geometric domain to distances between signals over the domain, expressed as probability distributions. On a graph, transportation problems can be used to express challenging tasks involving matching supply to demand with minimal shipment expense; in discrete language, these become minimum-cost network flow problems. Regularization typically is needed to ensure uniqueness for the linear ground distance case and to improve optimization convergence; state-of-the-art techniques employ entropic regularization on the transportation matrix. In this paper, we explore a quadratic alternative to entropic regularization for transport over a graph. We theoretically analyze the behavior of quadratically-regularized graph transport, characterizing how regularization affects the structure of flows in the regime of small but nonzero regularization. We further exploit elegant second-order structure in the dual of this problem to derive an easily-implemented Newton-type optimization algorithm.Comment: 27 page

Expectation Propagation for Poisson Data

The Poisson distribution arises naturally when dealing with data involving counts, and it has found many applications in inverse problems and imaging. In this work, we develop an approximate Bayesian inference technique based on expectation propagation for approximating the posterior distribution formed from the Poisson likelihood function and a Laplace type prior distribution, e.g., the anisotropic total variation prior. The approach iteratively yields a Gaussian approximation, and at each iteration, it updates the Gaussian approximation to one factor of the posterior distribution by moment matching. We derive explicit update formulas in terms of one-dimensional integrals, and also discuss stable and efficient quadrature rules for evaluating these integrals. The method is showcased on two-dimensional PET images.Comment: 25 pages, to be published at Inverse Problem

Updating constraint preconditioners for KKT systems in quadratic programming via low-rank corrections

This work focuses on the iterative solution of sequences of KKT linear systems arising in interior point methods applied to large convex quadratic programming problems. This task is the computational core of the interior point procedure and an efficient preconditioning strategy is crucial for the efficiency of the overall method. Constraint preconditioners are very effective in this context; nevertheless, their computation may be very expensive for large-scale problems, and resorting to approximations of them may be convenient. Here we propose a procedure for building inexact constraint preconditioners by updating a "seed" constraint preconditioner computed for a KKT matrix at a previous interior point iteration. These updates are obtained through low-rank corrections of the Schur complement of the (1,1) block of the seed preconditioner. The updated preconditioners are analyzed both theoretically and computationally. The results obtained show that our updating procedure, coupled with an adaptive strategy for determining whether to reinitialize or update the preconditioner, can enhance the performance of interior point methods on large problems.Comment: 22 page

Using Underapproximations for Sparse Nonnegative Matrix Factorization

Nonnegative Matrix Factorization consists in (approximately) factorizing a nonnegative data matrix by the product of two low-rank nonnegative matrices. It has been successfully applied as a data analysis technique in numerous domains, e.g., text mining, image processing, microarray data analysis, collaborative filtering, etc. We introduce a novel approach to solve NMF problems, based on the use of an underapproximation technique, and show its effectiveness to obtain sparse solutions. This approach, based on Lagrangian relaxation, allows the resolution of NMF problems in a recursive fashion. We also prove that the underapproximation problem is NP-hard for any fixed factorization rank, using a reduction of the maximum edge biclique problem in bipartite graphs. We test two variants of our underapproximation approach on several standard image datasets and show that they provide sparse part-based representations with low reconstruction error. Our results are comparable and sometimes superior to those obtained by two standard Sparse Nonnegative Matrix Factorization techniques.Comment: Version 2 removed the section about convex reformulations, which was not central to the development of our main results; added material to the introduction; added a review of previous related work (section 2.3); completely rewritten the last part (section 4) to provide extensive numerical results supporting our claims. Accepted in J. of Pattern Recognitio

Nonnegative factorization and the maximum edge biclique problem

Nonnegative matrix factorization (NMF) is a data analysis technique based on the approximation of a nonnegative matrix with a product of two nonnegative factors, which allows compression and interpretation of nonnegative data. In this paper, we study the case of rank-one factorization and show that when the matrix to be factored is not required to be nonnegative, the corresponding problem (R1NF) becomes NP-hard. This sheds new light on the complexity of NMF since any algorithm for fixed-rank NMF must be able to solve at least implicitly such rank-one subproblems. Our proof relies on a reduction of the maximum edge biclique problem to R1NF. We also link stationary points of R1NF to feasible solutions of the biclique problem, which allows us to design a new type of biclique finding algorithm based on the application of a block-coordinate descent scheme to R1NF. We show that this algorithm, whose algorithmic complexity per iteration is proportional to the number of edges in the graph, is guaranteed to converge to a biclique and that it performs competitively with existing methods on random graphs and text mining datasets.nonnegative matrix factorization, rank-one factorization, maximum edge biclique problem, algorithmic complexity, biclique finding algorithm

Descent methods for Nonnegative Matrix Factorization

In this paper, we present several descent methods that can be applied to nonnegative matrix factorization and we analyze a recently developped fast block coordinate method called Rank-one Residue Iteration (RRI). We also give a comparison of these different methods and show that the new block coordinate method has better properties in terms of approximation error and complexity. By interpreting this method as a rank-one approximation of the residue matrix, we prove that it \emph{converges} and also extend it to the nonnegative tensor factorization and introduce some variants of the method by imposing some additional controllable constraints such as: sparsity, discreteness and smoothness.Comment: 47 pages. New convergence proof using damped version of RRI. To appear in Numerical Linear Algebra in Signals, Systems and Control. Accepted. Illustrating Matlab code is included in the source bundl

Using underapproximations for sparse nonnegative matrix factorization

Nonnegative Matrix Factorization (NMF) has gathered a lot of attention in the last decade and has been successfully applied in numerous applications. It consists in the factorization of a nonnegative matrix by the product of two low-rank nonnegative matrices:. MªVW. In this paper, we attempt to solve NMF problems in a recursive way. In order to do that, we introduce a new variant called Nonnegative Matrix Underapproximation (NMU) by adding the upper bound constraint VW£M. Besides enabling a recursive procedure for NMF, these inequalities make NMU particularly well suited to achieve a sparse representation, improving the part-based decomposition. Although NMU is NP-hard (which we prove using its equivalence with the maximum edge biclique problem in bipartite graphs), we present two approaches to solve it: a method based on convex reformulations and a method based on Lagrangian relaxation. Finally, we provide some encouraging numerical results for image processing applications.nonnegative matrix factorization, underapproximation, maximum edge biclique problem, sparsity, image processing

HPC algorithms for nonnegative decompositions

Muchos problemas procedentes de aplicaciones del mundo real pueden ser modelados como problemas matemáticos con magnitudes no negativas, y por tanto, las soluciones de estos problemas matemáticos solo tienen sentido si son no negativas. Estas magnitudes no negativas pueden ser, por ejemplo, las frecuencias en una señal sonora, las intensidades de los pixeles de una imagen, etc. Algunos de estos problemas pueden ser modelados utilizando un sistema de ecuaciones lineales sobredeterminado. Cuando la solución de dicho problema debe ser restringida a valores no negativos, aparece un problema llamado problema de mínimos cuadrados no negativos (NNLS por sus siglas en inglés). La solución de dicho problema tiene múltiples aplicaciones en ciencia e ingeniería. Otra descomposición no negativa importante es la Factorización de Matrices No negativas (NMF por sus siglas en inglés). La NMF es una herramienta muy popular utilizada en varios campos, como por ejemplo: clasificación de documentos, aprendizaje automático, análisis de imagen o separación de señales sonoras. Esta factorización intenta aproximar una matriz no negativa con el producto de dos matrices no negativas de menor tamaño, creando habitualmente representaciones por partes de los datos originales. Los algoritmos diseñados para calcular la solución de estos dos problemas no negativos tienen un elevado coste computacional, y debido a ese elevado coste, estas descomposiciones pueden beneficiarse mucho del uso de técnicas de Computación de Altas Prestaciones (HPC por sus siglas en inglés). Estos sistemas computacionales de altas prestaciones incluyen desde los modernos computadores multinucleo a lo último en aceleradores de calculo (Unidades de Procesamiento Gráfico (GPU), Intel Many Integrated Core (MIC), etc.). Para obtener el máximo rendimiento de estos sistemas, los desarrolladores deben utilizar tecnologías software tales como la programación paralela, la vectoración o el uso de librerías de computación altas prestaciones. A pesar de que existen diversos algoritmos para calcular la NMF y resolver el problema NNLS, no todos ellos disponen de una implementación paralela y eficiente. Además, es muy interesante reunir diversos algoritmos con propiedades diferentes en una sola librería computacional. Esta tesis presenta una librería computacional de altas prestaciones que contiene implementaciones paralelas y eficientes de los mejores algoritmos existentes actualmente para calcular la NMF. Además la tesis también incluye una comparación experimental entre las diferentes implementaciones presentadas. Esta librería centrada en el cálculo de la NMF soporta múltiples arquitecturas tales como CPUs multinucleo, GPUs e Intel MIC. El objetivo de esta librería es ofrecer un abanico de algoritmos eficientes para ayudar a científicos, ingenieros o cualquier tipo de profesionales que necesitan hacer uso de la NMF. Otro problema abordado en esta tesis es la actualización de las factorizaciones no negativas. El problema de la actualización se ha estudiado tanto para la solución del problema NNLS como para el calculo de la NMF. Existen problemas no negativos cuya solución es próxima a otros problemas que ya han sido resueltos, el problema de la actualización consiste en aprovechar la solución de un problema A que ya ha sido resuelto, para obtener la solución de un problema B cercano al problema A. Utilizando esta aproximación, el problema B puede ser resuelto más rápido que si se tuviera que resolver sin aprovechar la solución conocida del problema A. En esta tesis se presenta una metodología algorítmica para resolver ambos problemas de actualización: la actualización de la solución del problema NNLS y la actualización de la NMF. Además se presentan evaluaciones empíricas de las soluciones presentadas para ambos problemas. Los resultados de estas evaluaciones muestran que los algoritmos propuestos son más rápidos que resoMolts problemes procedents de aplicacions del mon real poden ser modelats com problemes matemàtics en magnituts no negatives, i per tant, les solucions de estos problemes matemàtics només tenen sentit si son no negatives. Estes magnituts no negatives poden ser, per eixemple, la concentració dels elements en un compost químic, les freqüències en una senyal sonora, les intensitats dels pixels de una image, etc. Alguns d'estos problemes poden ser modelats utilisant un sistema d'equacions llineals sobredeterminat. Quant la solució de este problema deu ser restringida a valors no negatius, apareix un problema nomenat problema de mínims quadrats no negatius (NNLS per les seues sigles en anglés). La solució de este problema te múltiples aplicacions en ciències i ingenieria. Un atra descomposició no negativa important es la Factorisació de Matrius No negatives(NMF per les seues sigles en anglés). La NMF es una ferramenta molt popular utilisada en diversos camps, com per eixemple: classificacio de documents, aprenentage automàtic, anàlisis de image o separació de senyals sonores. Esta factorisació intenta aproximar una matriu no negativa en el producte de dos matrius no negatives de menor tamany, creant habitualment representacions a parts de les dades originals. Els algoritmes dissenyats per a calcular la solució de estos dos problemes no negatius tenen un elevat cost computacional, i degut a este elevat cost, estes descomposicions poden beneficiar-se molt del us de tècniques de Computació de Altes Prestacions (HPC per les seues sigles en anglés). Estos sistemes de computació de altes prestacions inclouen des dels moderns computadors multinucli a lo últim en acceleradors de càlcul (Unitats de Processament Gràfic (GPU), Intel Many Core (MIC), etc.). Per a obtindre el màxim rendiment de estos sistemes, els desenrolladors deuen utilisar tecnologies software tals com la programació paralela, la vectorisació o el us de llibreries de computació de altes prestacions. A pesar de que existixen diversos algoritmes per a calcular la NMF i resoldre el problema NNLS, no tots ells disponen de una implementació paralela i eficient. Ademés, es molt interessant reunir diversos algoritmes en propietats diferents en una sola llibreria computacional. Esta tesis presenta una llibreria computacional de altes prestacions que conté implementacions paraleles i eficients dels millors algoritmes existents per a calcular la NMF. Ademés, la tesis també inclou una comparació experimental entre les diferents implementacions presentades. Esta llibreria centrada en el càlcul de la NMF soporta diverses arquitectures tals com CPUs multinucli, GPUs i Intel MIC. El objectiu de esta llibreria es oferir una varietat de algoritmes eficients per a ajudar a científics, ingeniers o qualsevol tipo de professionals que necessiten utilisar la NMF. Un atre problema abordat en esta tesis es la actualisació de les factorisacions no negatives. El problema de la actualisació se ha estudiat tant per a la solució del problema NNLS com per a el càlcul de la NMF. Existixen problemes no negatius la solució dels quals es pròxima a atres problemes no negatius que ya han sigut resolts, el problema de la actualisació consistix en aprofitar la solució de un problema A que ya ha sigut resolt, per a obtindre la solució de un problema B pròxim al problema A. Utilisant esta aproximació, el problema B pot ser resolt molt mes ràpidament que si tinguera que ser resolt des de 0 sense aprofitar la solució coneguda del problema A. En esta tesis es presenta una metodologia algorítmica per a resoldre els dos problemes de actualisació: la actualisació de la solució del problema NNLS i la actualisació de la NMF. Ademés es presenten evaluacions empíriques de les solucions presentades per als dos problemes. Els resultats de estes evaluacions mostren que els algoritmes proposts son més ràpits que resoldre el problema des de 0 en tots elsMany real world-problems can be modelled as mathematical problems with nonnegative magnitudes, and, therefore, the solutions of these problems are meaningful only if their values are nonnegative. Examples of these nonnegative magnitudes are the concentration of components in a chemical compound, frequencies in an audio signal, pixel intensities on an image, etc. Some of these problems can be modelled to an overdetermined system of linear equations. When the solution of this system of equations should be constrained to nonnegative values, a new problem arises. This problem is called the Nonnegative Least Squares (NNLS) problem, and its solution has multiple applications in science and engineering, especially for solving optimization problems with nonnegative restrictions. Another important nonnegativity constrained decomposition is the Nonnegative Matrix Factorization (NMF). The NMF is a very popular tool in many fields such as document clustering, data mining, machine learning, image analysis, chemical analysis, and audio source separation. This factorization tries to approximate a nonnegative data matrix with the product of two smaller nonnegative matrices, usually creating parts based representations of the original data. The algorithms that are designed to compute the solution of these two nonnegative problems have a high computational cost. Due to this high cost, these decompositions can benefit from the extra performance obtained using High Performance Computing (HPC) techniques. Nowadays, there are very powerful computational systems that offer high performance and can be used to solve extremely complex problems in science and engineering. From modern multicore CPUs to the newest computational accelerators (Graphics Processing Units(GPU), Intel Many Integrated Core(MIC), etc.), the performance of these systems keeps increasing continuously. To make the most of the hardware capabilities of these HPC systems, developers should use software technologies such as parallel programming, vectorization, or high performance computing libraries. While there are several algorithms for computing the NMF and for solving the NNLS problem, not all of them have an efficient parallel implementation available. Furthermore, it is very interesting to group several algorithms with different properties into a single computational library. This thesis presents a high-performance computational library with efficient parallel implementations of the best algorithms to compute the NMF in the current state of the art. In addition, an experimental comparison between the different implementations is presented. This library is focused on the computation of the NMF supporting multiple architectures like multicore CPUs, GPUs and Intel MIC. The goal of the library is to offer a full suit of algorithms to help researchers, engineers or professionals that need to use the NMF. Another problem that is dealt with in this thesis is the updating of nonnegative decompositions. The updating problem has been studied for both the solution of the NNLS problem and the NMF. Sometimes there are nonnegative problems that are close to other nonnegative problems that have already been solved. The updating problem tries to take advantage of the solution of a problem A, that has already been solved in order to obtain a solution of a new problem B, which is closely related to problem A. With this approach, problem B can be solved faster than solving it from scratch and not taking advantage of the already known solution of problem A. In this thesis, an algorithmic scheme is proposed for both the updating of the solution of NNLS problems and the updating of the NMF. Empirical evaluations for both updating problems are also presented. The results show that the proposed algorithms are faster than solving the problems from scratch in all of the tested cases.San Juan Sebastián, P. (2018). HPC algorithms for nonnegative decompositions [Tesis doctoral no publicada]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/11306

Matrix Decomposition and Applications

In 1954, Alston S. Householder published Principles of Numerical Analysis, one of the first modern treatments on matrix decomposition that favored a (block) LU decomposition-the factorization of a matrix into the product of lower and upper triangular matrices. And now, matrix decomposition has become a core technology in machine learning, largely due to the development of the back propagation algorithm in fitting a neural network. The sole aim of this survey is to give a self-contained introduction to concepts and mathematical tools in numerical linear algebra and matrix analysis in order to seamlessly introduce matrix decomposition techniques and their applications in subsequent sections. However, we clearly realize our inability to cover all the useful and interesting results concerning matrix decomposition and given the paucity of scope to present this discussion, e.g., the separated analysis of the Euclidean space, Hermitian space, Hilbert space, and things in the complex domain. We refer the reader to literature in the field of linear algebra for a more detailed introduction to the related fields.Comment: arXiv admin note: substantial text overlap with arXiv:2107.02579, arXiv:2105.0424