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Principal Component Analysis for Experiments

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 Added by Tomokazu Konishi
 Publication date 2012
and research's language is English




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Motivation: Although principal component analysis is frequently applied to reduce the dimensionality of matrix data, the method is sensitive to noise and bias and has difficulty with comparability and interpretation. These issues are addressed by improving the fidelity to the study design. Principal axes and the components for variables are found through the arrangement of the training data set, and the centers of data are found according to the design. By using both the axes and the center, components for an observation that belong to various studies can be separately estimated. Both of the components for variables and observations are scaled to a unit length, which enables relationships to be seen between them. Results: Analyses in transcriptome studies showed an improvement in the separation of experimental groups and in robustness to bias and noise. Unknown samples were appropriately classified on predetermined axes. These axes well reflected the study design, and this facilitated the interpretation. Together, the introduced concepts resulted in improved generality and objectivity in the analytical results, with the ability to locate hidden structures in the data.



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Functional principal component analysis (FPCA) has been widely used to capture major modes of variation and reduce dimensions in functional data analysis. However, standard FPCA based on the sample covariance estimator does not work well in the presence of outliers. To address this challenge, a new robust functional principal component analysis approach based on the functional pairwise spatial sign (PASS) operator, termed PASS FPCA, is introduced where we propose estimation procedures for both eigenfunctions and eigenvalues with and without measurement error. Compared to existing robust FPCA methods, the proposed one requires weaker distributional assumptions to conserve the eigenspace of the covariance function. In particular, a class of distributions called the weakly functional coordinate symmetric (weakly FCS) is introduced that allows for severe asymmetry and is strictly larger than the functional elliptical distribution class, the latter of which has been well used in the robust statistics literature. The robustness of the PASS FPCA is demonstrated via simulation studies and analyses of accelerometry data from a large-scale epidemiological study of physical activity on older women that partly motivates this work.
Principal component analysis (PCA) is an important tool in exploring data. The conventional approach to PCA leads to a solution which favours the structures with large variances. This is sensitive to outliers and could obfuscate interesting underlying structures. One of the equivalent definitions of PCA is that it seeks the subspaces that maximize the sum of squared pairwise distances between data projections. This definition opens up more flexibility in the analysis of principal components which is useful in enhancing PCA. In this paper we introduce scales into PCA by maximizing only the sum of pairwise distances between projections for pairs of datapoints with distances within a chosen interval of values [l,u]. The resulting principal component decompositions in Multiscale PCA depend on point (l,u) on the plane and for each point we define projectors onto principal components. Cluster analysis of these projectors reveals the structures in the data at various scales. Each structure is described by the eigenvectors at the medoid point of the cluster which represent the structure. We also use the distortion of projections as a criterion for choosing an appropriate scale especially for data with outliers. This method was tested on both artificial distribution of data and real data. For data with multiscale structures, the method was able to reveal the different structures of the data and also to reduce the effect of outliers in the principal component analysis.
We consider the problem of decomposing a large covariance matrix into the sum of a low-rank matrix and a diagonally dominant matrix, and we call this problem the Diagonally-Dominant Principal Component Analysis (DD-PCA). DD-PCA is an effective tool for designing statistical methods for strongly correlated data. We showcase the use of DD-PCA in two statistical problems: covariance matrix estimation, and global detection in multiple testing. Using the output of DD-PCA, we propose a new estimator for estimating a large covariance matrix with factor structure. Thanks to a nice property of diagonally dominant matrices, this estimator enjoys the advantage of simultaneous good estimation of the covariance matrix and the precision matrix (by a plain inversion). A plug-in of this estimator to linear discriminant analysis and portfolio optimization yields appealing performance in real data. We also propose two new tests for testing the global null hypothesis in multiple testing when the $z$-scores have a factor covariance structure. Both tests first use DD-PCA to adjust the individual $p$-values and then plug in the adjusted $p$-values to the Higher Criticism (HC) test. These new tests significantly improve over the HC test and compare favorably with other existing tests. For computation of DD-PCA, we propose an iterative projection algorithm and an ADMM algorithm.
Traditional principal component analysis (PCA) is well known in high-dimensional data analysis, but it requires to express data by a matrix with observations to be continuous. To overcome the limitations, a new method called flexible PCA (FPCA) for exponential family distributions is proposed. The goal is to ensure that it can be implemented to arbitrary shaped region for either count or continuous observations. The methodology of FPCA is developed under the framework of generalized linear models. It provides statistical models for FPCA not limited to matrix expressions of the data. A maximum likelihood approach is proposed to derive the decomposition when the number of principal components (PCs) is known. This naturally induces a penalized likelihood approach to determine the number of PCs when it is unknown. By modifying it for missing data problems, the proposed method is compared with previous PCA methods for missing data. The simulation study shows that the performance of FPCA is always better than its competitors. The application uses the proposed method to reduce the dimensionality of arbitrary shaped sub-regions of images and the global spread patterns of COVID-19 under normal and Poisson distributions, respectively.
235 - Jingru Zhang , Wei Lin 2021
Dimension reduction for high-dimensional compositional data plays an important role in many fields, where the principal component analysis of the basis covariance matrix is of scientific interest. In practice, however, the basis variables are latent and rarely observed, and standard techniques of principal component analysis are inadequate for compositional data because of the simplex constraint. To address the challenging problem, we relate the principal subspace of the centered log-ratio compositional covariance to that of the basis covariance, and prove that the latter is approximately identifiable with the diverging dimensionality under some subspace sparsity assumption. The interesting blessing-of-dimensionality phenomenon enables us to propose the principal subspace estimation methods by using the sample centered log-ratio covariance. We also derive nonasymptotic error bounds for the subspace estimators, which exhibits a tradeoff between identification and estimation. Moreover, we develop efficient proximal alternating direction method of multipliers algorithms to solve the nonconvex and nonsmooth optimization problems. Simulation results demonstrate that the proposed methods perform as well as the oracle methods with known basis. Their usefulness is illustrated through an analysis of word usage pattern for statisticians.
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