Smoothed Separable Nonnegative Matrix Factorization

Given a set of data points belonging to the convex hull of a set of vertices, a key problem in data analysis and machine learning is to estimate these vertices in the presence of noise. Many algorithms have been developed under the assumption that there is at least one nearby data point to each vertex; two of the most widely used ones are vertex component analysis (VCA) and the successive projection algorithm (SPA). This assumption is known as the pure-pixel assumption in blind hyperspectral unmixing, and as the separability assumption in nonnegative matrix factorization. More recently, Bhattacharyya and Kannan (ACM-SIAM Symposium on Discrete Algorithms, 2020) proposed an algorithm for learning a latent simplex (ALLS) that relies on the assumption that there is more than one nearby data point for each vertex. In that scenario, ALLS is probalistically more robust to noise than algorithms based on the separability assumption. In this paper, inspired by ALLS, we propose smoothed VCA (SVCA) and smoothed SPA (SSPA) that generalize VCA and SPA by assuming the presence of several nearby data points to each vertex. We illustrate the effectiveness of SVCA and SSPA over VCA, SPA and ALLS on synthetic data sets, and on the unmixing of hyperspectral images.Comment: 27 pages, 11 figure

Random Separating Hyperplane Theorem and Learning Polytopes

The Separating Hyperplane theorem is a fundamental result in Convex Geometry with myriad applications. Our first result, Random Separating Hyperplane Theorem (RSH), is a strengthening of this for polytopes. \rsh asserts that if the distance between $a$ and a polytope $K$ with $k$ vertices and unit diameter in $\Re^d$ is at least $\delta$, where $\delta$ is a fixed constant in $(0,1)$, then a randomly chosen hyperplane separates $a$ and $K$ with probability at least $1/poly(k)$ and margin at least $\Omega \left(\delta/\sqrt{d} \right)$. An immediate consequence of our result is the first near optimal bound on the error increase in the reduction from a Separation oracle to an Optimization oracle over a polytope. RSH has algorithmic applications in learning polytopes. We consider a fundamental problem, denoted the ``Hausdorff problem'', of learning a unit diameter polytope $K$ within Hausdorff distance $\delta$, given an optimization oracle for $K$. Using RSH, we show that with polynomially many random queries to the optimization oracle, $K$ can be approximated within error $O(\delta)$. To our knowledge this is the first provable algorithm for the Hausdorff Problem. Building on this result, we show that if the vertices of $K$ are well-separated, then an optimization oracle can be used to generate a list of points, each within Hausdorff distance $O(\delta)$ of $K$, with the property that the list contains a point close to each vertex of $K$. Further, we show how to prune this list to generate a (unique) approximation to each vertex of the polytope. We prove that in many latent variable settings, e.g., topic modeling, LDA, optimization oracles do exist provided we project to a suitable SVD subspace. Thus, our work yields the first efficient algorithm for finding approximations to the vertices of the latent polytope under the well-separatedness assumption

Semi-supervised Eigenvectors for Large-scale Locally-biased Learning

In many applications, one has side information, e.g., labels that are provided in a semi-supervised manner, about a specific target region of a large data set, and one wants to perform machine learning and data analysis tasks "nearby" that prespecified target region. For example, one might be interested in the clustering structure of a data graph near a prespecified "seed set" of nodes, or one might be interested in finding partitions in an image that are near a prespecified "ground truth" set of pixels. Locally-biased problems of this sort are particularly challenging for popular eigenvector-based machine learning and data analysis tools. At root, the reason is that eigenvectors are inherently global quantities, thus limiting the applicability of eigenvector-based methods in situations where one is interested in very local properties of the data. In this paper, we address this issue by providing a methodology to construct semi-supervised eigenvectors of a graph Laplacian, and we illustrate how these locally-biased eigenvectors can be used to perform locally-biased machine learning. These semi-supervised eigenvectors capture successively-orthogonalized directions of maximum variance, conditioned on being well-correlated with an input seed set of nodes that is assumed to be provided in a semi-supervised manner. We show that these semi-supervised eigenvectors can be computed quickly as the solution to a system of linear equations; and we also describe several variants of our basic method that have improved scaling properties. We provide several empirical examples demonstrating how these semi-supervised eigenvectors can be used to perform locally-biased learning; and we discuss the relationship between our results and recent machine learning algorithms that use global eigenvectors of the graph Laplacian

Algorithmic advances in learning from large dimensional matrices and scientific data

University of Minnesota Ph.D. dissertation.May 2018. Major: Computer Science. Advisor: Yousef Saad. 1 computer file (PDF); xi, 196 pages.This thesis is devoted to answering a range of questions in machine learning and data analysis related to large dimensional matrices and scientific data. Two key research objectives connect the different parts of the thesis: (a) development of fast, efficient, and scalable algorithms for machine learning which handle large matrices and high dimensional data; and (b) design of learning algorithms for scientific data applications. The work combines ideas from multiple, often non-traditional, fields leading to new algorithms, new theory, and new insights in different applications. The first of the three parts of this thesis explores numerical linear algebra tools to develop efficient algorithms for machine learning with reduced computation cost and improved scalability. Here, we first develop inexpensive algorithms combining various ideas from linear algebra and approximation theory for matrix spectrum related problems such as numerical rank estimation, matrix function trace estimation including log-determinants, Schatten norms, and other spectral sums. We also propose a new method which simultaneously estimates the dimension of the dominant subspace of covariance matrices and obtains an approximation to the subspace. Next, we consider matrix approximation problems such as low rank approximation, column subset selection, and graph sparsification. We present a new approach based on multilevel coarsening to compute these approximations for large sparse matrices and graphs. Lastly, on the linear algebra front, we devise a novel algorithm based on rank shrinkage for the dictionary learning problem, learning a small set of dictionary columns which best represent the given data. The second part of this thesis focuses on exploring novel non-traditional applications of information theory and codes, particularly in solving problems related to machine learning and high dimensional data analysis. Here, we first propose new matrix sketching methods using codes for obtaining low rank approximations of matrices and solving least squares regression problems. Next, we demonstrate that codewords from certain coding scheme perform exceptionally well for the group testing problem. Lastly, we present a novel machine learning application for coding theory, that of solving large scale multilabel classification problems. We propose a new algorithm for multilabel classification which is based on group testing and codes. The algorithm has a simple inexpensive prediction method, and the error correction capabilities of codes are exploited for the first time to correct prediction errors. The third part of the thesis focuses on devising robust and stable learning algorithms, which yield results that are interpretable from specific scientific application viewpoint. We present Union of Intersections (UoI), a flexible, modular, and scalable framework for statistical-machine learning problems. We then adapt this framework to develop new algorithms for matrix decomposition problems such as nonnegative matrix factorization (NMF) and CUR decomposition. We apply these new methods to data from Neuroscience applications in order to obtain insights into the functionality of the brain. Finally, we consider the application of material informatics, learning from materials data. Here, we deploy regression techniques on materials data to predict physical properties of materials

Dynamic Machine Learning with Least Square Objectives

As of the writing of this thesis, machine learning has become one of the most active research fields. The interest comes from a variety of disciplines which include computer science, statistics, engineering, and medicine. The main idea behind learning from data is that, when an analytical model explaining the observations is hard to find ---often in contrast to the models in physics such as Newton's laws--- a statistical approach can be taken where one or more candidate models are tuned using data. Since the early 2000's this challenge has grown in two ways: (i) The amount of collected data has seen a massive growth due to the proliferation of digital media, and (ii) the data has become more complex. One example for the latter is the high dimensional datasets, which can for example correspond to dyadic interactions between two large groups (such as customer and product information a retailer collects), or to high resolution image/video recordings. Another important issue is the study of dynamic data, which exhibits dependence on time. Virtually all datasets fall into this category as all data collection is performed over time, however I use the term dynamic to hint at a system with an explicit temporal dependence. A traditional example is target tracking from signal processing literature. Here the position of a target is modeled using Newton's laws of motion, which relates it to time via the target's velocity and acceleration. Dynamic data, as I defined above, poses two important challenges. Firstly, the learning setup is different from the standard theoretical learning setup, also known as Probably Approximately Correct (PAC) learning. To derive PAC learning bounds one assumes a collection of data points sampled independently and identically from a distribution which generates the data. On the other hand, dynamic systems produce correlated outputs. The learning systems we use should accordingly take this difference into consideration. Secondly, as the system is dynamic, it might be necessary to perform the learning online. In this case the learning has to be done in a single pass. Typical applications include target tracking and electricity usage forecasting. In this thesis I investigate several important dynamic and online learning problems, where I develop novel tools to address the shortcomings of the previous solutions in the literature. The work is divided into three parts for convenience. The first part is about matrix factorization for time series analysis which is further divided into two chapters. In the first chapter, matrix factorization is used within a Bayesian framework to model time-varying dyadic interactions, with examples in predicting user-movie ratings and stock prices. In the next chapter, a matrix factorization which uses autoregressive models to forecast future values of multivariate time series is proposed, with applications in predicting electricity usage and traffic conditions. Inspired by the machinery we use in the first part, the second part is about nonlinear Kalman filtering, where a hidden state is estimated over time given observations. The nonlinearity of the system generating the observations is the main challenge here, where a divergence minimization approach is used to unify the seemingly unrelated methods in the literature, and propose new ones. This has applications in target tracking and options pricing. The third and last part is about cost sensitive learning, where a novel method for maximizing area under receiver operating characteristics curve is proposed. Our method has theoretical guarantees and favorable sample complexity. The method is tested on a variety of benchmark datasets, and also has applications in online advertising

Scalable algorithms for latent variable models in machine learning

Latent variable modeling (LVM) is a popular approach in many machine learning applications, such as recommender systems and topic modeling, due to its ability to succinctly represent data, even in the presence of several missing entries. Existing learning methods for LVMs, while attractive, are infeasible for the large-scale datasets required in modern big data applications. In addition, such applications often come with various types of side information such as the text description of items and the social network among users in a recommender system. In this thesis, we present scalable learning algorithms for a wide range of latent variable models such as low-rank matrix factorization and latent Dirichlet allocation. We also develop simple but effective techniques to extend existing LVMs to exploit various types of side information and make better predictions in many machine learning applications such as recommender systems, multi-label learning, and high-dimensional time-series prediction. In addition, we also propose a novel approach for the maximum inner product search problem to accelerate the prediction phase of many latent variable models.Computer Science

Frameworks for High Dimensional Convex Optimization

We present novel, efficient algorithms for solving extremely large optimization problems. A significant bottleneck today is that as the size of datasets grow, researchers across disciplines desire to solve prohibitively massive optimization problems. In this thesis, we present methods to compress optimization problems. The general goal is to represent a huge problem as a smaller problem or set of smaller problems, while still retaining enough information to ensure provable guarantees on solution quality and run time. We apply this approach to the following three settings. First, we propose a framework for accelerating both linear program solvers and convex solvers for problems with linear constraints. Our focus is on a class of problems for which data is either very costly, or hard to obtain. In these situations, the number of data points m available is much smaller than the number of variables, n. In a machine learning setting, this regime is increasingly prevalent since it is often advantageous to consider larger and larger feature spaces, while not necessarily obtaining proportionally more data. Analytically, we provide worst-case guarantees on both the runtime and the quality of the solution produced. Empirically, we show that our framework speeds up state-of-the-art commercial solvers by two orders of magnitude, while maintaining a near-optimal solution. Second, we propose a novel approach for distributed optimization which uses far fewer messages than existing methods. We consider a setting in which the problem data are distributed over the nodes. We provide worst-case guarantees on the performance with respect to the amount of communication it requires and the quality of the solution. The algorithm uses O(log(n+m)) messages with high probability. We note that this is an exponential reduction compared to the O(n) communication required during each round of traditional consensus based approaches. In terms of solution quality, our algorithm produces a feasible, near optimal solution. Numeric results demonstrate that the approximation error matches that of ADMM in many cases, while using orders-of-magnitude less communication. Lastly, we propose and analyze a provably accurate long-step infeasible Interior Point Algorithm (IPM) for linear programming. The core computational bottleneck in IPMs is the need to solve a linear system of equations at each iteration. We employ sketching techniques to make the linear system computation lighter, by handling well-known ill-conditioning problems that occur when using iterative solvers in IPMs for LPs. In particular, we propose a preconditioned Conjugate Gradient iterative solver for the linear system. Our sketching strategy makes the condition number of the preconditioned system provably small. In practice we demonstrate that our approach significantly reduces the condition number of the linear system, and thus allows for more efficient solving on a range of benchmark datasets.</p