Orthogonal NMF through Subspace Exploration

Abstract Orthogonal Nonnegative Matrix Factorization (ONMF) aims to approximate a nonnegative matrix as the product of two k-dimensional nonnegative factors, one of which has orthonormal columns. It yields potentially useful data representations as superposition of disjoint parts, while it has been shown to work well for clustering tasks where traditional methods underperform. Existing algorithms rely mostly on heuristics, which despite their good empirical performance, lack provable performance guarantees. We present a new ONMF algorithm with provable approximation guarantees. For any constant dimension k, we obtain an additive EPTAS without any assumptions on the input. Our algorithm relies on a novel approximation to the related Nonnegative Principal Component Analysis (NNPCA) problem; given an arbitrary data matrix, NNPCA seeks k nonnegative components that jointly capture most of the variance. Our NNPCA algorithm is of independent interest and generalizes previous work that could only obtain guarantees for a single component. We evaluate our algorithms on several real and synthetic datasets and show that their performance matches or outperforms the state of the art

Hyperspectral Unmixing Overview: Geometrical, Statistical, and Sparse Regression-Based Approaches

Imaging spectrometers measure electromagnetic energy scattered in their instantaneous field view in hundreds or thousands of spectral channels with higher spectral resolution than multispectral cameras. Imaging spectrometers are therefore often referred to as hyperspectral cameras (HSCs). Higher spectral resolution enables material identification via spectroscopic analysis, which facilitates countless applications that require identifying materials in scenarios unsuitable for classical spectroscopic analysis. Due to low spatial resolution of HSCs, microscopic material mixing, and multiple scattering, spectra measured by HSCs are mixtures of spectra of materials in a scene. Thus, accurate estimation requires unmixing. Pixels are assumed to be mixtures of a few materials, called endmembers. Unmixing involves estimating all or some of: the number of endmembers, their spectral signatures, and their abundances at each pixel. Unmixing is a challenging, ill-posed inverse problem because of model inaccuracies, observation noise, environmental conditions, endmember variability, and data set size. Researchers have devised and investigated many models searching for robust, stable, tractable, and accurate unmixing algorithms. This paper presents an overview of unmixing methods from the time of Keshava and Mustard's unmixing tutorial [1] to the present. Mixing models are first discussed. Signal-subspace, geometrical, statistical, sparsity-based, and spatial-contextual unmixing algorithms are described. Mathematical problems and potential solutions are described. Algorithm characteristics are illustrated experimentally.Comment: This work has been accepted for publication in IEEE Journal of Selected Topics in Applied Earth Observations and Remote Sensin

Data Clustering And Visualization Through Matrix Factorization

Clustering is traditionally an unsupervised task which is to find natural groupings or clusters in multidimensional data based on perceived similarities among the patterns. The purpose of clustering is to extract useful information from unlabeled data. In order to present the extracted useful knowledge obtained by clustering in a meaningful way, data visualization becomes a popular and growing area of research field. Visualization can provide a qualitative overview of large and complex data sets, which help us the desired insight in truly understanding the phenomena of interest in data. The contribution of this dissertation is two-fold: Semi-Supervised Non-negative Matrix Factorization (SS-NMF) for data clustering/co-clustering and Exemplar-based data Visualization (EV) through matrix factorization. Compared to traditional data mining models, matrix-based methods are fast, easy to understand and implement, especially suitable to solve large-scale challenging problems in text mining, image grouping, medical diagnosis, and bioinformatics. In this dissertation, we present two effective matrix-based solutions in the new directions of data clustering and visualization. First, in many practical learning domains, there is a large supply of unlabeled data but limited labeled data, and in most cases it might be expensive to generate large amounts of labeled data. Traditional clustering algorithms completely ignore these valuable labeled data and thus are inapplicable to these problems. Consequently, semi-supervised clustering, which can incorporate the domain knowledge to guide a clustering algorithm, has become a topic of significant recent interest. Thus, we develop a Non-negative Matrix Factorization (NMF) based framework to incorporate prior knowledge into data clustering. Moreover, with the fast growth of Internet and computational technologies in the past decade, many data mining applications have advanced swiftly from the simple clustering of one data type to the co-clustering of multiple data types, usually involving high heterogeneity. To this end, we extend SS-NMF to perform heterogeneous data co-clustering. From a theoretical perspective, SS-NMF for data clustering/co-clustering is mathematically rigorous. The convergence and correctness of our algorithms are proved. In addition, we discuss the relationship between SS-NMF with other well-known clustering and co-clustering models. Second, most of current clustering models only provide the centroids (e.g., mathematical means of the clusters) without inferring the representative exemplars from real data, thus they are unable to better summarize or visualize the raw data. A new method, Exemplar-based Visualization (EV), is proposed to cluster and visualize an extremely large-scale data. Capitalizing on recent advances in matrix approximation and factorization, EV provides a means to visualize large scale data with high accuracy (in retaining neighbor relations), high efficiency (in computation), and high flexibility (through the use of exemplars). Empirically, we demonstrate the superior performance of our matrix-based data clustering and visualization models through extensive experiments performed on the publicly available large scale data sets

Mineral identification using data-mining in hyperspectral infrared imagery

Les applications de l’imagerie infrarouge dans le domaine de la géologie sont principalement des applications hyperspectrales. Elles permettent entre autre l’identification minérale, la cartographie, ainsi que l’estimation de la portée. Le plus souvent, ces acquisitions sont réalisées in-situ soit à l’aide de capteurs aéroportés, soit à l’aide de dispositifs portatifs. La découverte de minéraux indicateurs a permis d’améliorer grandement l’exploration minérale. Ceci est en partie dû à l’utilisation d’instruments portatifs. Dans ce contexte le développement de systèmes automatisés permettrait d’augmenter à la fois la qualité de l’exploration et la précision de la détection des indicateurs. C’est dans ce cadre que s’inscrit le travail mené dans ce doctorat. Le sujet consistait en l’utilisation de méthodes d’apprentissage automatique appliquées à l’analyse (au traitement) d’images hyperspectrales prises dans les longueurs d’onde infrarouge. L’objectif recherché étant l’identification de grains minéraux de petites tailles utilisés comme indicateurs minéral -ogiques. Une application potentielle de cette recherche serait le développement d’un outil logiciel d’assistance pour l’analyse des échantillons lors de l’exploration minérale. Les expériences ont été menées en laboratoire dans la gamme relative à l’infrarouge thermique (Long Wave InfraRed, LWIR) de 7.7m à 11.8 m. Ces essais ont permis de proposer une méthode pour calculer l’annulation du continuum. La méthode utilisée lors de ces essais utilise la factorisation matricielle non négative (NMF). En utlisant une factorisation du premier ordre on peut déduire le rayonnement de pénétration, lequel peut ensuite être comparé et analysé par rapport à d’autres méthodes plus communes. L’analyse des résultats spectraux en comparaison avec plusieurs bibliothèques existantes de données a permis de mettre en évidence la suppression du continuum. Les expérience ayant menés à ce résultat ont été conduites en utilisant une plaque Infragold ainsi qu’un objectif macro LWIR. L’identification automatique de grains de différents matériaux tels que la pyrope, l’olivine et le quartz a commencé. Lors d’une phase de comparaison entre des approches supervisées et non supervisées, cette dernière s’est montrée plus approprié en raison du comportement indépendant par rapport à l’étape d’entraînement. Afin de confirmer la qualité de ces résultats quatre expériences ont été menées. Lors d’une première expérience deux algorithmes ont été évalués pour application de regroupements en utilisant l’approche FCC (False Colour Composite). Cet essai a permis d’observer une vitesse de convergence, jusqu’a vingt fois plus rapide, ainsi qu’une efficacité significativement accrue concernant l’identification en comparaison des résultats de la littérature. Cependant des essais effectués sur des données LWIR ont montré un manque de prédiction de la surface du grain lorsque les grains étaient irréguliers avec présence d’agrégats minéraux. La seconde expérience a consisté, en une analyse quantitaive comparative entre deux bases de données de Ground Truth (GT), nommée rigid-GT et observed-GT (rigide-GT: étiquet manuel de la région, observée-GT:étiquetage manuel les pixels). La précision des résultats était 1.5 fois meilleur lorsque l’on a utlisé la base de données observed-GT que rigid-GT. Pour les deux dernières epxérience, des données venant d’un MEB (Microscope Électronique à Balayage) ainsi que d’un microscopie à fluorescence (XRF) ont été ajoutées. Ces données ont permis d’introduire des informations relatives tant aux agrégats minéraux qu’à la surface des grains. Les résultats ont été comparés par des techniques d’identification automatique des minéraux, utilisant ArcGIS. Cette dernière a montré une performance prometteuse quand à l’identification automatique et à aussi été utilisée pour la GT de validation. Dans l’ensemble, les quatre méthodes de cette thèse représentent des méthodologies bénéfiques pour l’identification des minéraux. Ces méthodes présentent l’avantage d’être non-destructives, relativement précises et d’avoir un faible coût en temps calcul ce qui pourrait les qualifier pour être utilisée dans des conditions de laboratoire ou sur le terrain.The geological applications of hyperspectral infrared imagery mainly consist in mineral identification, mapping, airborne or portable instruments, and core logging. Finding the mineral indicators offer considerable benefits in terms of mineralogy and mineral exploration which usually involves application of portable instrument and core logging. Moreover, faster and more mechanized systems development increases the precision of identifying mineral indicators and avoid any possible mis-classification. Therefore, the objective of this thesis was to create a tool to using hyperspectral infrared imagery and process the data through image analysis and machine learning methods to identify small size mineral grains used as mineral indicators. This system would be applied for different circumstances to provide an assistant for geological analysis and mineralogy exploration. The experiments were conducted in laboratory conditions in the long-wave infrared (7.7μm to 11.8μm - LWIR), with a LWIR-macro lens (to improve spatial resolution), an Infragold plate, and a heating source. The process began with a method to calculate the continuum removal. The approach is the application of Non-negative Matrix Factorization (NMF) to extract Rank-1 NMF and estimate the down-welling radiance and then compare it with other conventional methods. The results indicate successful suppression of the continuum from the spectra and enable the spectra to be compared with spectral libraries. Afterwards, to have an automated system, supervised and unsupervised approaches have been tested for identification of pyrope, olivine and quartz grains. The results indicated that the unsupervised approach was more suitable due to independent behavior against training stage. Once these results obtained, two algorithms were tested to create False Color Composites (FCC) applying a clustering approach. The results of this comparison indicate significant computational efficiency (more than 20 times faster) and promising performance for mineral identification. Finally, the reliability of the automated LWIR hyperspectral infrared mineral identification has been tested and the difficulty for identification of the irregular grain’s surface along with the mineral aggregates has been verified. The results were compared to two different Ground Truth(GT) (i.e. rigid-GT and observed-GT) for quantitative calculation. Observed-GT increased the accuracy up to 1.5 times than rigid-GT. The samples were also examined by Micro X-ray Fluorescence (XRF) and Scanning Electron Microscope (SEM) in order to retrieve information for the mineral aggregates and the grain’s surface (biotite, epidote, goethite, diopside, smithsonite, tourmaline, kyanite, scheelite, pyrope, olivine, and quartz). The results of XRF imagery compared with automatic mineral identification techniques, using ArcGIS, and represented a promising performance for automatic identification and have been used for GT validation. In overall, the four methods (i.e. 1.Continuum removal methods; 2. Classification or clustering methods for mineral identification; 3. Two algorithms for clustering of mineral spectra; 4. Reliability verification) in this thesis represent beneficial methodologies to identify minerals. These methods have the advantages to be a non-destructive, relatively accurate and have low computational complexity that might be used to identify and assess mineral grains in the laboratory conditions or in the field

Function Space Tensor Decomposition and its Application in Sports Analytics

Recent advancements in sports information and technology systems have ushered in a new age of applications of both supervised and unsupervised analytical techniques in the sports domain. These automated systems capture large volumes of data points about competitors during live competition. As a result, multi-relational analyses are gaining popularity in the field of Sports Analytics. We review two case studies of dimensionality reduction with Principal Component Analysis and latent factor analysis with Non-Negative Matrix Factorization applied in sports. Also, we provide a review of a framework for extending these techniques for higher order data structures. The primary scope of this thesis is to further extend the concept of tensor decomposition through the use of function spaces. In doing so, we address the limitations of PCA to vector and matrix representations and the CP-Decomposition to tensor representations. Lastly, we provide an application in the context of professional stock car racing

Tensor Decompositions for Signal Processing Applications From Two-way to Multiway Component Analysis

The widespread use of multi-sensor technology and the emergence of big datasets has highlighted the limitations of standard flat-view matrix models and the necessity to move towards more versatile data analysis tools. We show that higher-order tensors (i.e., multiway arrays) enable such a fundamental paradigm shift towards models that are essentially polynomial and whose uniqueness, unlike the matrix methods, is guaranteed under verymild and natural conditions. Benefiting fromthe power ofmultilinear algebra as theirmathematical backbone, data analysis techniques using tensor decompositions are shown to have great flexibility in the choice of constraints that match data properties, and to find more general latent components in the data than matrix-based methods. A comprehensive introduction to tensor decompositions is provided from a signal processing perspective, starting from the algebraic foundations, via basic Canonical Polyadic and Tucker models, through to advanced cause-effect and multi-view data analysis schemes. We show that tensor decompositions enable natural generalizations of some commonly used signal processing paradigms, such as canonical correlation and subspace techniques, signal separation, linear regression, feature extraction and classification. We also cover computational aspects, and point out how ideas from compressed sensing and scientific computing may be used for addressing the otherwise unmanageable storage and manipulation problems associated with big datasets. The concepts are supported by illustrative real world case studies illuminating the benefits of the tensor framework, as efficient and promising tools for modern signal processing, data analysis and machine learning applications; these benefits also extend to vector/matrix data through tensorization. Keywords: ICA, NMF, CPD, Tucker decomposition, HOSVD, tensor networks, Tensor Train