Principal component analysis (PCA) is a widely used method for data processing, such as for dimension reduction and visualization. Standard PCA is known to be sensitive to outliers, and thus, various robust PCA methods have been proposed. It has been shown that the robustness of many statistical methods can be improved using mode estimation instead of mean estimation, because mode estimation is not significantly affected by the presence of outliers. Thus, this study proposes a modal principal component analysis (MPCA), which is a robust PCA method based on mode estimation. The proposed method finds the minor component by estimating the mode of the projected data points. As theoretical contribution, probabilistic convergence property, influence function, finite-sample breakdown point and its lower bound for the proposed MPCA are derived. The experimental results show that the proposed method has advantages over the conventional methods.
Generalized principal component analysis (GLM-PCA) facilitates dimension reduction of non-normally distributed data. We provide a detailed derivation of GLM-PCA with a focus on optimization. We also demonstrate how to incorporate covariates, and suggest post-processing transformations to improve interpretability of latent factors.
Outlier based Robust Principal Component Analysis (RPCA) requires centering of the non-outliers. We show a "bias trick" that automatically centers these non-outliers. Using this bias trick we obtain the first RPCA algorithm that is optimal with respect to centering.
PCA (Principal Component Analysis) and its variants areubiquitous techniques for matrix dimension reduction and reduced-dimensionlatent-factor extraction. One significant challenge in using PCA, is thechoice of the number of principal components. The information-theoreticMDL (Minimum Description Length) principle gives objective compression-based criteria for model selection, but it is difficult to analytically applyits modern definition - NML (Normalized Maximum Likelihood) - to theproblem of PCA. This work shows a general reduction of NML prob-lems to lower-dimension problems. Applying this …
Princeton University（普林斯顿大学）；Tencent AI Lab（腾讯人工智能实验室）
In this paper, we propose to adopt the diffusion approximation tools to study the dynamics of Oja's iteration which is an online stochastic gradient descent method for the principal component analysis. Oja's iteration maintains a running estimate of the true principal component from streaming data and enjoys less temporal and spatial complexities. We show that the Oja's iteration for the top eigenvector generates a continuous-state discrete-time Markov chain over the unit sphere. We characterize the Oja's iteration in three phases using diffusion approximation and weak convergence tools. Our t…
Stanford University（斯坦福大学）；MIT（麻省理工学院）；Microsoft Research, New England（新英格兰微软研究院）
We show how to efficiently project a vector onto the top principal components of a matrix, without explicitly computing these components. Specifically, we introduce an iterative algorithm that provably computes the projection using few calls to any black-box routine for ridge regression. By avoiding explicit principal component analysis (PCA), our algorithm is the first with no runtime dependence on the number of top principal components. We show that it can be used to give a fast iterative method for the popular principal component regression problem, giving the first major runtime improvemen…
Principal component analysis (PCA) is a mainstay of modern data analysis - a black box that is widely used but (sometimes) poorly understood. The goal of this paper is to dispel the magic behind this black box. This manuscript focuses on building a solid intuition for how and why principal component analysis works. This manuscript crystallizes this knowledge by deriving from simple intuitions, the mathematics behind PCA. This tutorial does not shy away from explaining the ideas informally, nor does it shy away from the mathematics. The hope is that by addressing both aspects, readers of all le…
Conventional principal component analysis (PCA) finds a principal vector that maximizes the sum of second powers of principal components. We consider a generalized PCA that aims at maximizing the sum of an arbitrary convex function of principal components. We present a gradient ascent algorithm to solve the problem. For the kernel version of generalized PCA, we show that the solutions can be obtained as fixed points of a simple single-layer recurrent neural network. We also evaluate our algorithms on different datasets.
Principal component regression (PCR) is a two-stage procedure: the first stage performs principal component analysis (PCA) and the second stage constructs a regression model whose explanatory variables are replaced by principal components obtained by the first stage. Since PCA is performed by using only explanatory variables, the principal components have no information about the response variable. To address the problem, we propose a one-stage procedure for PCR in terms of singular value decomposition approach. Our approach is based upon two loss functions, a regression loss and a PCA loss, w…
In this paper the exact linear relation between the leading eigenvectors of the modularity matrix and the singular vectors of an uncentered data matrix is developed. Based on this analysis the concept of a modularity component is defined, and its properties are developed. It is shown that modularity component analysis can be used to cluster data similar to how traditional principal component analysis is used except that modularity component analysis does not require data centering.
We propose to directly compute classification estimates by learning features encoded with their class scores using PCA. Our resulting model has a encoder-decoder structure suitable for supervised learning, it is computationally efficient and performs well for classification on several datasets.
In this paper we propose a novel optimization framework to systematically solve robust PCA problem with rigorous theoretical guarantee, based on which we investigate very computationally economic updating algorithms.
Designing and modifying complex hull forms for optimal vessel performances have been a major challenge for naval architects. In the present study, Principal Component Analysis (PCA) is introduced to compress the geometric representation of a group of existing vessels, and the resulting principal scores are manipulated to generate a large number of derived hull forms, which are evaluated computationally for their calm-water performances. The results are subsequently used to train a Deep Neural Network (DNN) to accurately establish the relation between different hull forms and their associated p…
Southeast University（东南大学）；Université de Rennes 1（雷涅第一大学）
In order to classify the nonlinear feature with linear classifier and improve the classification accuracy, a deep learning network named kernel principal component analysis network (KPCANet) is proposed. First, mapping the data into higher space with kernel principal component analysis to make the data linearly separable. Then building a two-layer KPCANet to obtain the principal components of image. Finally, classifying the principal components with linearly classifier. Experimental results show that the proposed KPCANet is effective in face recognition, object recognition and hand-writing dig…
We propose a new two stage algorithm LING for large scale regression problems. LING has the same risk as the well known Ridge Regression under the fixed design setting and can be computed much faster. Our experiments have shown that LING performs well in terms of both prediction accuracy and computational efficiency compared with other large scale regression algorithms like Gradient Descent, Stochastic Gradient Descent and Principal Component Regression on both simulated and real datasets.
The article discusses selected problems related to both principal component analysis (PCA) and factor analysis (FA). In particular, both types of analysis were compared. A vector interpretation for both PCA and FA has also been proposed. The problem of determining the number of principal components in PCA and factors in FA was discussed in detail. A new criterion for determining the number of factors and principal components is discussed, which will allow to present most of the variance of each of the analyzed primary variables. An efficient algorithm for determining the number of factors in F…
Principal Component Analysis (PCA) and its nonlinear extension Kernel PCA (KPCA) are widely used across science and industry for data analysis and dimensionality reduction. Modern deep learning tools have achieved great empirical success, but a framework for deep principal component analysis is still lacking. Here we develop a deep kernel PCA methodology (DKPCA) to extract multiple levels of the most informative components of the data. Our scheme can effectively identify new hierarchical variables, called deep principal components, capturing the main characteristics of high-dimensional data th…
We propose a novel model for nonlinear dimension reduction motivated by the probabilistic formulation of principal component analysis. Nonlinearity is achieved by specifying different transformation matrices at different locations of the latent space and smoothing the transformation using a Markov random field type prior. The computation is made feasible by the recent advances in sampling from von Mises-Fisher distributions.
We consider principal component analysis (PCA) in decomposable Gaussian graphical models. We exploit the prior information in these models in order to distribute its computation. For this purpose, we reformulate the problem in the sparse inverse covariance (concentration) domain and solve the global eigenvalue problem using a sequence of local eigenvalue problems in each of the cliques of the decomposable graph. We demonstrate the application of our methodology in the context of decentralized anomaly detection in the Abilene backbone network. Based on the topology of the network, we propose an…
IMT School for Advanced Studies, Lucca, Italy（IMT卢卡高等研究院）；University of Genoa, Italy（热那亚大学）
In this short paper, a matrix perturbation bound on the eigenvalues found by principal component analysis is investigated, for the case in which the data matrix on which principal component analysis is performed is a convex combination of two data matrices. The application of the theoretical analysis to multi-objective optimization problems (e.g., those arising in the design of acoustic metamaterial filters) is briefly discussed, together with possible extensions.
University of Leicester（莱斯特大学）；Lobachevsky University（罗巴切夫斯基大学）
In this paper we argue that (lexical) meaning in science can be represented in a 13 dimension Meaning Space. This space is constructed using principal component analysis (singular decomposition) on the matrix of word category relative information gains, where the categories are those used by the Web of Science, and the words are taken from a reduced word set from texts in the Web of Science. We show that this reduced word set plausibly represents all texts in the corpus, so that the principal component analysis has some objective meaning with respect to the corpus. We argue that 13 dimensions …
We propose a new method for supervised learning, especially suited to wide data where the number of features is much greater than the number of observations. The method combines the lasso ($\ell_1$) sparsity penalty with a quadratic penalty that shrinks the coefficient vector toward the leading principal components of the feature matrix. We call the proposed method the "principal components lasso" ("pcLasso"). The method can be especially powerful if the features are pre-assigned to groups (such as cell-pathways, assays or protein interaction networks). In that case, pcLasso shrinks each group…
Principal component analysis (PCA) is recognised as a quintessential data analysis technique when it comes to describing linear relationships between the features of a dataset. However, the well-known sensitivity of PCA to non-Gaussian samples and/or outliers often makes it unreliable in practice. To this end, a robust formulation of PCA is derived based on the maximum correntropy criterion (MCC) so as to maximise the expected likelihood of Gaussian distributed reconstruction errors. In this way, the proposed solution reduces to a generalised power iteration, whereby: (i) robust estimates of t…
SAS Institute（SAS研究所）；Shanghai Jiao Tong University（上海交通大学）
Robust PCA methods are typically batch algorithms which requires loading all observations into memory before processing. This makes them inefficient to process big data. In this paper, we develop an efficient online robust principal component methods, namely online moving window robust principal component analysis (OMWRPCA). Unlike existing algorithms, OMWRPCA can successfully track not only slowly changing subspace but also abruptly changed subspace. By embedding hypothesis testing into the algorithm, OMWRPCA can detect change points of the underlying subspaces. Extensive simulation studies d…
Principal component analysis (PCA) has been a prominent tool for high-dimensional data analysis. Online algorithms that estimate the principal component by processing streaming data are of tremendous practical and theoretical interests. Despite its rich applications, theoretical convergence analysis remains largely open. In this paper, we cast online PCA into a stochastic nonconvex optimization problem, and we analyze the online PCA algorithm as a stochastic approximation iteration. The stochastic approximation iteration processes data points incrementally and maintains a running estimate of t…
The dynamic nature of air quality chemistry and transport makes it difficult to identify the mixture of air pollutants for a region. In this study of air quality in the Houston metropolitan area we apply dynamic principal component analysis (DPCA) to a normalized multivariate time series of daily concentration measurements of five pollutants (O3, CO, NO2, SO2, PM2.5) from January 1, 2009 through December 31, 2011 for each of the 24 hours in a day. The resulting dynamic components are examined by hour across days for the 3 year period. Diurnal and seasonal patterns are revealed underlining time…
We analyse the prediction error of principal component regression (PCR) and prove non-asymptotic upper bounds for the corresponding squared risk. Under mild assumptions, we show that PCR performs as well as the oracle method obtained by replacing empirical principal components by their population counterparts. Our approach relies on upper bounds for the excess risk of principal component analysis.
Principal component analysis (PCA) is a widespread technique for data analysis that relies on the covariance-correlation matrix of the analyzed data. However to properly work with high-dimensional data, PCA poses severe mathematical constraints on the minimum number of different replicates or samples that must be included in the analysis. Here we show that a modified algorithm works not only on well dimensioned datasets, but also on degenerated ones.
Institute of Theoretical and Applied Informatics, Polish Academy of Sciences（波兰科学院理论与应用信息学研究所）；Silesian University of Technology（西里西亚工业大学）
We present a novel quantum algorithm for classification of images. The algorithm is constructed using principal component analysis and von Neuman quantum measurements. In order to apply the algorithm we present a new quantum representation of grayscale images.
We consider the sparse principal component analysis for high-dimensional stationary processes. The standard principal component analysis performs poorly when the dimension of the process is large. We establish the oracle inequalities for penalized principal component estimators for the processes including heavy-tailed time series. The rate of convergence of the estimators is established. We also elucidate the theoretical rate for choosing the tuning parameter in penalized estimators. The performance of the sparse principal component analysis is demonstrated by numerical simulations. The utilit…
Which components of the singular value decomposition of a signal-plus-noise data matrix are most informative for the inferential task of detecting or estimating an embedded low-rank signal matrix? Principal component analysis ascribes greater importance to the components that capture the greatest variation, i.e., the singular vectors associated with the largest singular values. This choice is often justified by invoking the Eckart-Young theorem even though that work addresses the problem of how to best represent a signal-plus-noise matrix using a low-rank approximation and not how to best_infe…
Institute for Interdisciplinary Information Sciences（交叉信息研究院）；Tsinghua University（清华大学）
We study the robust principal component analysis (RPCA) problem in a distributed setting. The goal of RPCA is to find an underlying low-rank estimation for a raw data matrix when the data matrix is subject to the corruption of gross sparse errors. Previous studies have developed RPCA algorithms that provide stable solutions with fast convergence. However, these algorithms are typically hard to scale and cannot be implemented distributedly, due to the use of either SVD or large matrix multiplication. In this paper, we propose the first distributed robust principal analysis algorithm based on co…
This tutorial reviews the main steps of the principal component analysis of a multivariate data set and its subsequent dimensional reduction on the grounds of identified dominant principal components. The underlying computations are demonstrated and performed by means of a script written in the statistical software package R.
Principal component analysis (PCA) is a standard dimensionality reduction technique used in various research and applied fields. From an algorithmic point of view, classical PCA can be formulated in terms of operations on a multivariate Gaussian likelihood. As a consequence of the implied Gaussian formulation, the principal components are not robust to outliers. In this paper, we propose a modified formulation, based on the use of a multivariate Cauchy likelihood instead of the Gaussian likelihood, which has the effect of robustifying the principal components. We present an algorithm to comput…
In this paper, we study the problem of sparse Principal Component Analysis (PCA) in the high-dimensional setting with missing observations. Our goal is to estimate the first principal component when we only have access to partial observations. Existing estimation techniques are usually derived for fully observed data sets and require a prior knowledge of the sparsity of the first principal component in order to achieve good statistical guarantees. Our contributions is threefold. First, we establish the first information-theoretic lower bound for the sparse PCA problem with missing observations…
We propose a nonparametric method to explicitly model and represent the derivatives of smooth underlying trajectories for longitudinal data. This representation is based on a direct Karhunen--Loève expansion of the unobserved derivatives and leads to the notion of derivative principal component analysis, which complements functional principal component analysis, one of the most popular tools of functional data analysis. The proposed derivative principal component scores can be obtained for irregularly spaced and sparsely observed longitudinal data, as typically encountered in biomedical studie…
Universidad de Salamanca（萨拉曼卡大学）；ESPOL Polytechnic University, Escuela Superior Politécnica del Litoral（ESPOL理工大学（海岸理工学院））；Institute of Biomedical Research of Salamanca（萨拉曼卡生物医学研究所）；Pontificia Universidad Católica de Valparaíso（瓦尔帕莱索天主教大学）
In this paper, we propose an alternative method to the disjoint principal component analysis. The method consists of a principal component analysis with constraints, which allows us to determine disjoint components that are linear combinations of disjoint subsets of the original variables. The proposed method is named constrained binary optimization by particle swarm disjoint principal component analysis, since it is based on the particle swarm optimization. The method uses stochastic optimization to find solutions in cases of high computational complexity. The algorithm associated with the me…
We consider the problem of how many components to retain in the application of principal component analysis when the dimension is much higher than the number of observations. To estimate the number of components, we propose to sequentially test skewness of the squared lengths of residual scores that are obtained by removing leading principal components. The residual lengths are asymptotically left-skewed if all principal components with diverging variances are removed, and right-skewed if not. The proposed estimator is shown to be consistent, performs well in high-dimensional simulation studie…
Mixtures of probabilistic principal component analysis (MPPCA) is a well-known mixture model extension of principal component analysis (PCA). Similar to PCA, MPPCA assumes the data samples in each mixture contain homoscedastic noise. However, datasets with heterogeneous noise across samples are becoming increasingly common, as larger datasets are generated by collecting samples from several sources with varying noise profiles. The performance of MPPCA is suboptimal for data with heteroscedastic noise across samples. This paper proposes a heteroscedastic mixtures of probabilistic PCA technique …
We introduce a new method for sparse principal component analysis, based on the aggregation of eigenvector information from carefully-selected axis-aligned random projections of the sample covariance matrix. Unlike most alternative approaches, our algorithm is non-iterative, so is not vulnerable to a bad choice of initialisation. We provide theoretical guarantees under which our principal subspace estimator can attain the minimax optimal rate of convergence in polynomial time. In addition, our theory provides a more refined understanding of the statistical and computational trade-off in the pr…
The allocation of a (treatment) condition-effect on the wrong principal component (misallocation of variance) in principal component analysis (PCA) has been addressed in research on event-related potentials of the electroencephalogram. However, the correct allocation of condition-effects on PCA components might be relevant in several domains of research. The present paper investigates whether different loading patterns at each condition-level are a basis for an optimal allocation of between-condition variance on principal components. It turns out that a similar loading shape at each condition-…
We propose a new sparse principal component analysis (SPCA) method in which the solutions are obtained by projecting the full cardinality principal components onto subsets of variables. The resulting components are guaranteed to explain a given proportion of variance. The computation of these solutions is very efficient. The proposed method compares well with the optimal least squares sparse components. We show that other SPCA methods fail to identify the best sparse approximations of the principal components and explain less variance than our solutions. We illustrate and compare our method wi…
In areas of application, including actuarial science and demography, it is increasingly common to consider a time series of curves; an example of this is age-specific mortality rates observed over a period of years. Given that age can be treated as a discrete or continuous variable, a dimension reduction technique, such as principal component analysis, is often implemented. However, in the presence of moderate to strong temporal dependence, static principal component analysis commonly used for analyzing independent and identically distributed data may not be adequate. As an alternative, we con…
In this paper we analyze different ways of performing principal component analysis throughout three different approaches: robust covariance and correlation matrix estimation, projection pursuit approach and non-parametric maximum entropy algorithm. The objective of these approaches is the correction of the well known sensitivity to outliers of the classical method for principal component analysis. Due to their robustness, they perform very well in contaminated data, while the classical approach fails to preserve the characteristics of the core information.
Principal component analysis continues to be a powerful tool in dimension reduction of high dimensional data. We assume a variance-diverging model and use the high-dimension, low-sample-size asymptotics to show that even though the principal component directions are not consistent, the sample and prediction principal component scores can be useful in revealing the population structure. We further show that these scores are biased, and the bias is asymptotically decomposed into rotation and scaling parts. We propose methods of bias-adjustment that are shown to be consistent and work well in the…
Functional data analysis on nonlinear manifolds has drawn recent interest. Sphere-valued functional data, which are encountered for example as movement trajectories on the surface of the earth, are an important special case. We consider an intrinsic principal component analysis for smooth Riemannian manifold-valued functional data and study its asymptotic properties. Riemannian functional principal component analysis (RFPCA) is carried out by first mapping the manifold-valued data through Riemannian logarithm maps to tangent spaces around the time-varying Fréchet mean function, and then perfor…
Sparse Principal Components Analysis aims to find principal components with few non-zero loadings. We derive such sparse solutions by adding a genuine sparsity requirement to the original Principal Components Analysis (PCA) objective function. This approach differs from others because it preserves PCA's original optimality: \uns\ of the components and Least Squares approximation of the data. To identify the best subset of non-zero loadings we propose a Branch-and-Bound search and an iterative elimination algorithm. This last algorithm finds sparse solutions with large loadings and can be run w…
Research Center for Information Technology Innovation, Academia Sinica（中央研究院资讯科技创新研究中心）
Informed by recent work on tensor singular value decomposition and circulant algebra matrices, this paper presents a new theoretical bridge that unifies the hypercomplex and tensor-based approaches to singular value decomposition and robust principal component analysis. We begin our work by extending the principal component pursuit to Olariu's polar $n$-complex numbers as well as their bicomplex counterparts. In so doing, we have derived the polar $n$-complex and $n$-bicomplex proximity operators for both the $\ell_1$- and trace-norm regularizers, which can be used by proximal optimization met…
