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CP-factorization for high dimensional tensor time series and double projection iterations

arXiv.org Machine Learning

We adopt the canonical polyadic (CP) decomposition to model high-dimensional tensor time series. Our primary goal is to identify and estimate the factor loadings in the CP decomposition. We propose a one-pass estimation procedure through standard eigen-analysis for a matrix constructed based on the serial dependence structure of the data. The asymptotic properties of the proposed estimator are established under a general setting as long as the factor loading vectors are linearly independent, allowing the factors to be correlated and the factor loading vectors to be not nearly orthogonal. The procedure adapts to the sparsity of the factor loading vectors, accommodates weak factors, and demonstrates strong performance across a wide range of scenarios. To further reduce estimation errors, we also introduce an iterative algorithm based on a novel double projection approach. We theoretically justify the improved convergence rate of the iterative estimator, and derive the associated limiting distribution. A consistent estimator of the asymptotic variance is also provided, which plays a key role in the related inference problems. All results are validated through extensive simulations and two real data applications.


Revisit CP Tensor Decomposition: Statistical Optimality and Fast Convergence

arXiv.org Machine Learning

Canonical Polyadic (CP) tensor decomposition is a fundamental technique for analyzing high-dimensional tensor data. While the Alternating Least Squares (ALS) algorithm is widely used for computing CP decomposition due to its simplicity and empirical success, its theoretical foundation, particularly regarding statistical optimality and convergence behavior, remain underdeveloped, especially in noisy, non-orthogonal, and higher-rank settings. In this work, we revisit CP tensor decomposition from a statistical perspective and provide a comprehensive theoretical analysis of ALS under a signal-plus-noise model. We establish non-asymptotic, minimax-optimal error bounds for tensors of general order, dimensions, and rank, assuming suitable initialization. To enable such initialization, we propose Tucker-based Approximation with Simultaneous Diagonalization (TASD), a robust method that improves stability and accuracy in noisy regimes. Combined with ALS, TASD yields a statistically consistent estimator. We further analyze the convergence dynamics of ALS, identifying a two-phase pattern-initial quadratic convergence followed by linear refinement. We further show that in the rank-one setting, ALS with an appropriately chosen initialization attains optimal error within just one or two iterations.


Sparse PCA with False Discovery Rate Controlled Variable Selection

arXiv.org Artificial Intelligence

Sparse principal component analysis (PCA) aims at mapping large dimensional data to a linear subspace of lower dimension. By imposing loading vectors to be sparse, it performs the double duty of dimension reduction and variable selection. Sparse PCA algorithms are usually expressed as a trade-off between explained variance and sparsity of the loading vectors (i.e., number of selected variables). As a high explained variance is not necessarily synonymous with relevant information, these methods are prone to select irrelevant variables. To overcome this issue, we propose an alternative formulation of sparse PCA driven by the false discovery rate (FDR). We then leverage the Terminating-Random Experiments (T-Rex) selector to automatically determine an FDR-controlled support of the loading vectors. A major advantage of the resulting T-Rex PCA is that no sparsity parameter tuning is required. Numerical experiments and a stock market data example demonstrate a significant performance improvement.


Chess2vec: Learning Vector Representations for Chess

arXiv.org Artificial Intelligence

We conduct the first study of its kind to generate and evaluate vector representations for chess pieces. In particular, we uncover the latent structure of chess pieces and moves, as well as predict chess moves from chess positions. We share preliminary results which anticipate our ongoing work on a neural network architecture that learns these embeddings directly from supervised feedback. The fundamental challenge for machine learning based chess programs is to learn the mapping between chess positions and optimal moves [5, 3, 7]. A chess position is a description of where pieces are located on the chessboard. In learning, chess positions are typically represented as bitboard representations [1]. A bitboard is a 8 8 binary matrix, same dimensions as the chessboard, and each bitboard is associated with a particular piece type (e.g.


From Principal Subspaces to Principal Components with Linear Autoencoders

arXiv.org Machine Learning

RINCIPAL COMPONENT ANALYSIS (PCA) is a linear transformation that transforms a set of observations to a new coordinate system in which the values of the first coordinate have the largest possible variance, and the values of each succeeding coordinate have the largest possible variance under the constraint that they are uncorrelated with the preceding coordinates. They are often found by either computing the eigendecomposition of the covariance matrix or by computing the singular value decomposition of the observations. By keeping only the first few principal components, PCA can be used for dimensionality reduction. The decorrelation of the coordinates is also a useful property, and PCA is sometimes used as a preprocessing step for whitening a dataset before using it as an input into an optimization problem such as a neural network classifier. One of the properties of PCA is that out of all possible linear transformations, the reconstructions of the observations from the leading principal components have the least total squared error.


L1-norm Kernel PCA

arXiv.org Machine Learning

We present the first model and algorithm for L1-norm kernel PCA. While L2-norm kernel PCA has been widely studied, there has been no work on L1-norm kernel PCA. For this non-convex and non-smooth problem, we offer geometric understandings through reformulations and present an efficient algorithm where the kernel trick is applicable. To attest the efficiency of the algorithm, we provide a convergence analysis including linear rate of convergence. Moreover, we prove that the output of our algorithm is a local optimal solution to the L1-norm kernel PCA problem. We also numerically show its robustness when extracting principal components in the presence of influential outliers, as well as its runtime comparability to L2-norm kernel PCA. Lastly, we introduce its application to outlier detection and show that the L1-norm kernel PCA based model outperforms especially for high dimensional data.


Linear Hypothesis Testing in Dense High-Dimensional Linear Models

arXiv.org Machine Learning

We propose a methodology for testing linear hypothesis in high-dimensional linear models. The proposed test does not impose any restriction on the size of the model, i.e. model sparsity or the loading vector representing the hypothesis. Providing asymptotically valid methods for testing general linear functions of the regression parameters in high-dimensions is extremely challenging -- especially without making restrictive or unverifiable assumptions on the number of non-zero elements. We propose to test the moment conditions related to the newly designed restructured regression, where the inputs are transformed and augmented features. These new features incorporate the structure of the null hypothesis directly. The test statistics are constructed in such a way that lack of sparsity in the original model parameter does not present a problem for the theoretical justification of our procedures. We establish asymptotically exact control on Type I error without imposing any sparsity assumptions on model parameter or the vector representing the linear hypothesis. Our method is also shown to achieve certain optimality in detecting deviations from the null hypothesis. We demonstrate the favorable finite-sample performance of the proposed methods, via a number of numerical and a real data example.


Sparse Generalized Principal Component Analysis for Large-scale Applications beyond Gaussianity

arXiv.org Machine Learning

Principal Component Analysis (PCA) is a dimension reduction technique. It produces inconsistent estimators when the dimensionality is moderate to high, which is often the problem in modern large-scale applications where algorithm scalability and model interpretability are difficult to achieve, not to mention the prevalence of missing values. While existing sparse PCA methods alleviate inconsistency, they are constrained to the Gaussian assumption of classical PCA and fail to address algorithm scalability issues. We generalize sparse PCA to the broad exponential family distributions under high-dimensional setup, with built-in treatment for missing values. Meanwhile we propose a family of iterative sparse generalized PCA (SG-PCA) algorithms such that despite the non-convexity and non-smoothness of the optimization task, the loss function decreases in every iteration. In terms of ease and intuitive parameter tuning, our sparsity-inducing regularization is far superior to the popular Lasso. Furthermore, to promote overall scalability, accelerated gradient is integrated for fast convergence, while a progressive screening technique gradually squeezes out nuisance dimensions of a large-scale problem for feasible optimization. High-dimensional simulation and real data experiments demonstrate the efficiency and efficacy of SG-PCA.


Alternating Maximization: Unifying Framework for 8 Sparse PCA Formulations and Efficient Parallel Codes

arXiv.org Machine Learning

Given a multivariate data set, sparse principal component analysis (SPCA) aims to extract several linear combinations of the variables that together explain the variance in the data as much as possible, while controlling the number of nonzero loadings in these combinations. In this paper we consider 8 different optimization formulations for computing a single sparse loading vector; these are obtained by combining the following factors: we employ two norms for measuring variance (L2, L1) and two sparsity-inducing norms (L0, L1), which are used in two different ways (constraint, penalty). Three of our formulations, notably the one with L0 constraint and L1 variance, have not been considered in the literature. We give a unifying reformulation which we propose to solve via a natural alternating maximization (AM) method. We show the the AM method is nontrivially equivalent to GPower (Journ\'{e}e et al; JMLR 11:517--553, 2010) for all our formulations. Besides this, we provide 24 efficient parallel SPCA implementations: 3 codes (multi-core, GPU and cluster) for each of the 8 problems. Parallelism in the methods is aimed at i) speeding up computations (our GPU code can be 100 times faster than an efficient serial code written in C++), ii) obtaining solutions explaining more variance and iii) dealing with big data problems (our cluster code is able to solve a 357 GB problem in about a minute).


Regularized Partial Least Squares with an Application to NMR Spectroscopy

arXiv.org Machine Learning

Department of Statistics, Rice University Abstract High-dimensional data common in genomics, proteomics, and chemometrics often contains complicated correlation structures. Recently, partial least squares (PLS) and Sparse PLS methods have gained attention in these areas as dimension reduction techniques in the context of supervised data analysis. We introduce a framework for Regularized PLS by solving a relaxation of the SIMPLS optimization problem with penalties on the PLS loadings vectors. Our approach enjoys many advantages including flexibility, general penalties, easy interpretation of results, and fast computation in high-dimensional settings. We also outline extensions of our methods leading to novel methods for Nonnegative PLS and Generalized PLS, an adaption of PLS for structured data. We demonstrate the utility of our methods through simulations and a case study on proton Nuclear Magnetic Resonance (NMR) spectroscopy data. To whom correspondence should be addressed; Department of Statistics, Rice University, MS 138, 6100 Main St., Houston, TX 77005 (email: gallen@rice.edu) 1 Introduction Technologies to measure high-throughput biomedical data in proteomics, chemometrics, and genomics have led to a proliferation of high-dimensional data that pose many statistical challenges. As genes, proteins, and metabolites, are biologically interconnected, the variables in these data sets are often highly correlated. In this context, several have recently advocated using partial least squares (PLS) for dimension reduction of supervised data, or data with a response or labels (Nguyen and Rocke, 2002b; Boulesteix and Strimmer, 2007; Rossouw et al., 2008; Chun and Keleş, 2010). First introduced by Wold (1966) as a regression method that uses least squares on a set of derived inputs accounting for multi-colinearities, others have since proposed alternative methods for PLS with multiple responses (de Jong, 1993) and for classification (Marx, 1996; Barker and Rayens, 2003).