Exploring the variability of DNA molecules via principal geodesic analysis on the shape space

Most of the linear statistics deal with data lying in a Euclidean space. However, there are many examples, such as DNA molecule topological structures, in which the initial or the transformed data lie in a non-Euclidean space. To get a measure of variability in these situations, the principal component analysis (PCA) is usually performed on a Euclidean tangent space as it cannot be directly implemented on a non-Euclidean space. Instead, principal geodesic analysis (PGA) is a new tool that provides a measure of variability for nonlinear statistics. In this paper, the performance of this new tool is compared with that of the PCA using a real data set representing a DNA molecular structure. It is shown that due to the nonlinearity of space, the PGA explains more variability of the data than the PCA.     

When and Why are Principal Component Scores a Good Tool for Visualizing High‐dimensional Data?

Principal component analysis is a popular dimension reduction technique often used to visualize high‐dimensional data structures. In genomics, this can involve millions of variables, but only tens to hundreds of observations. Theoretically, such extreme high dimensionality will cause biased or inconsistent eigenvector estimates, but in practice, the principal component scores are used for visualization with great success. In this paper, we explore when and why the classical principal component scores can be used to visualize structures in high‐dimensional data, even when there are few observations compared with the number of variables. Our argument is twofold: First, we argue that eigenvectors related to pervasive signals will have eigenvalues scaling linearly with the number of variables. Second, we prove that for linearly increasing eigenvalues, the sample component scores will be scaled and rotated versions of the population scores, asymptotically. Thus, the visual information of the sample scores will be unchanged, even though the sample eigenvectors are biased. In the case of pervasive signals, the principal component scores can be used to visualize the population structures, even in extreme high‐dimensional situations.     

Treatments of non-metric variables in partial least squares and principal component analysis

This paper reviews various treatments of non-metric variables in partial least squares (PLS) and principal component analysis (PCA) algorithms. The performance of different treatments is compared in an extensive simulation study under several typical data generating processes and associated recommendations are made. Moreover, we find that PLS-based methods are to prefer in practice, since, independent of the data generating process, PLS performs either as good as PCA or significantly outperforms it. As an application of PLS and PCA algorithms with non-metric variables we consider construction of a wealth index to predict household expenditures. Consistent with our simulation study, we find that a PLS-based wealth index with dummy coding outperforms PCA-based ones.     

Measures of fit in principal component and canonical variate analyses

Treating principal component analysis (PCA) and canonical variate analysis (CVA) as methods for approximating tables, we develop measures, collectively termed predictivity, that assess the quality of fit independently for each variable and for all dimensionalities. We illustrate their use with data from aircraft development, the African timber industry and copper froth measurements from the mining industry. Similar measures are described for assessing the predictivity associated with the individual samples (in the case of PCA and CVA) or group means (in the case of CVA). For these measures to be meaningful, certain essential orthogonality conditions must hold that are shown to be satisfied by predictivity.     

The evaluation of socio-economic development of development agency regions in Turkey using classical and robust principal component analyses

In this study, classical and robust principal component analyses are used to evaluate socioeconomic development of regions of development agencies that give service on the purpose of decreasing development difference among regions in Turkey. Due to the high differences between development levels of regions outlier problem occurs, hence robust statistical methods are used. Also, classical and robust statistical methods are used to investigate if there are any outliers in data set. In classic principal component analyse, the number of observations must be larger than the number of variables. Otherwise determinant of covariance matrix is zero. In Robust method for Principal Component Analysis (ROBPCA), a robust approach to principal component analyse in high-dimensional data, even if the number of variables is larger than the number of observations, principal components are obtained. In this paper, firstly 26 development agencies are evaluated with 19 variables by using principal component analysis based on classical and robust scatter matrices and then these 26 development agencies are evaluated with 46 variables by using the ROBPCA method.     

Direct and Indirect Causal Effects via Potential Outcomes*

Abstract. The use of the concept of ‘direct’ versus ‘indirect’ causal effects is common, not only in statistics but also in many areas of social and economic sciences. The related terms of ‘biomarkers’ and ‘surrogates’ are common in pharmacological and biomedical sciences. Sometimes this concept is represented by graphical displays of various kinds. The view here is that there is a great deal of imprecise discussion surrounding this topic and, moreover, that the most straightforward way to clarify the situation is by using potential outcomes to define causal effects. In particular, I suggest that the use of principal stratification is key to understanding the meaning of direct and indirect causal effects. A current study of anthrax vaccine will be used to illustrate ideas.     

Missing data in principal component analysis of questionnaire data: a comparison of methods

Principal component analysis (PCA) is a widely used statistical technique for determining subscales in questionnaire data. As in any other statistical technique, missing data may both complicate its execution and interpretation. In this study, six methods for dealing with missing data in the context of PCA are reviewed and compared: listwise deletion (LD), pairwise deletion, the missing data passive approach, regularized PCA, the expectation-maximization algorithm, and multiple imputation. Simulations show that except for LD, all methods give about equally good results for realistic percentages of missing data. Therefore, the choice of a procedure can be based on the ease of application or purely the convenience of availability of a technique.     

A multivariate von mises distribution with applications to bioinformatics

Motivated by problems of modelling torsional angles in molecules, Singh, Hnizdo & Demchuk (2002) proposed a bivariate circular model which is a natural torus analogue of the bivariate normal distribution and a natural extension of the univariate von Mises distribution to the bivariate case. The authors present here a multivariate extension of the bivariate model of Singh, Hnizdo & Demchuk (2002). They study the conditional distributions and investigate the shapes of marginal distributions for a special case. The methods of moments and pseudo‐likelihood are considered for the estimation of parameters of the new distribution. The authors investigate the efficiency of the pseudo‐likelihood approach in three dimensions. They illustrate their methods with protein data of conformational angles     

Identification of genomic markers correlated with sensitivity in solid tumors to Dasatinib using sparse principal components

Differential analysis techniques are commonly used to offer scientists a dimension reduction procedure and an interpretable gateway to variable selection, especially when confronting high-dimensional genomic data. Huang et al. used a gene expression profile of breast cancer cell lines to identify genomic markers which are highly correlated with in vitro sensitivity of a drug Dasatinib. They considered three statistical methods to identify differentially expressed genes and finally used the results from the intersection. But the statistical methods that are used in the paper are not sufficient to select the genomic markers. In this paper we used three alternative statistical methods to select a combined list of genomic markers and compared the genes that were proposed by Huang et al. We then proposed to use sparse principal component analysis (Sparse PCA) to identify a final list of genomic markers. The Sparse PCA incorporates correlation into account among the genes and helps to draw a successful genomic markers discovery. We present a new and a small set of genomic markers to separate out the groups of patients effectively who are sensitive to the drug Dasatinib. The analysis procedure will also encourage scientists in identifying genomic markers that can help to separate out two groups.     

Two-Step Hypothesis Testing When the Number of Variables Exceeds the Sample Size

Medical images and genetic assays typically generate data with more variables than subjects. Scientists may use a two-step approach for testing hypotheses about Gaussian mean vectors. In the first step, principal components analysis (PCA) selects a set of sample components fewer in number than the sample size. In the second step, applying classical multivariate analysis of variance (MANOVA) methods to the reduced set of variables provides the desired hypothesis tests. Simulation results presented here indicate that success of the PCA in the first step requires nearly all variation to occur in population components far fewer in number than the number of subjects. In the second step, multivariate tests fail to attain reasonable power except in restrictive, favorable cases. The results encourage using other approaches discussed in the article to provide dependable hypothesis testing with high dimension, low sample size data (HDLSS).     

Uncertainty in functional principal component analysis

Principal component analysis (PCA) and functional principal analysis are key tools in multivariate analysis, in particular modelling yield curves, but little attention is given to questions of uncertainty, neither in the components themselves nor in any derived quantities such as scores. Actuaries using PCA to model yield curves to assess interest rate risk for insurance companies are required to show any uncertainty in their calculations. Asymptotic results based on assumptions of multivariate normality are unsatisfactory for modest samples, and application of bootstrap methods is not straightforward, with the novel pitfalls of possible inversions in order of sample components and reversals of signs. We present methods for overcoming these difficulties and discuss arising of other potential hazards.     

Probabilistic Principal Component Analysis

Principal component analysis (PCA) is a ubiquitous technique for data analysis and processing, but one which is not based on a probability model. We demonstrate how the principal axes of a set of observed data vectors may be determined through maximum likelihood estimation of parameters in a latent variable model that is closely related to factor analysis. We consider the properties of the associated likelihood function, giving an EM algorithm for estimating the principal subspace iteratively, and discuss, with illustrative examples, the advantages conveyed by this probabilistic approach to PCA.     

A comparison of different procedures for principal component analysis in the presence of outliers

Principal component analysis (PCA) is a popular technique that is useful for dimensionality reduction but it is affected by the presence of outliers. The outlier sensitivity of classical PCA (CPCA) has caused the development of new approaches. Effects of using estimates obtained by expectation–maximization – EM and multiple imputation – MI instead of outliers were examined on the artificial and a real data set. Furthermore, robust PCA based on minimum covariance determinant (MCD), PCA based on estimates obtained by EM instead of outliers and PCA based on estimates obtained by MI instead of outliers were compared with the results of CPCA. In this study, we tried to show the effects of using estimates obtained by MI and EM instead of outliers, depending on the ratio of outliers in data set. Finally, when the ratio of outliers exceeds 20%, we suggest the use of estimates obtained by MI and EM instead of outliers as an alternative approach.     

Partial Least Squares: A First-order Analysis

We compare the partial least squares (PLS) and the principal component analysis (PCA), in a general case in which the existence of a true linear regression is not assumed. We prove under mild conditions that PLS and PCA are equivalent, to within a first-order approximation, hence providing a theoretical explanation for empirical findings reported by other researchers. Next, we assume the existence of a true linear regression equation and obtain asymptotic formulas for the bias and variance of the PLS parameter estimator     

ADE-4: a multivariate analysis and graphical display software

We present ADE-4, a multivariate analysis and graphical display software. Multivariate analysis methods available in ADE-4 include usual one-table methods like principal component analysis and correspondence analysis, spatial data analysis methods (using a total variance decomposition into local and global components, analogous to Moran and Geary indices), discriminant analysis and within/between groups analyses, many linear regression methods including lowess and polynomial regression, multiple and PLS (partial least squares) regression and orthogonal regression (principal component regression), projection methods like principal component analysis on instrumental variables, canonical correspondence analysis and many other variants, coinertia analysis and the RLQ method, and several three-way table (k-table) analysis methods. Graphical display techniques include an automatic collection of elementary graphics corresponding to groups of rows or to columns in the data table, thus providing a very efficient way for automatic k-table graphics and geographical mapping options. A dynamic graphic module allows interactive operations like searching, zooming, selection of points, and display of data values on factor maps. The user interface is simple and homogeneous among all the programs; this contributes to making the use of ADE-4 very easy for non- specialists in statistics, data analysis or computer science.     

Multiple imputation for continuous variables using a Bayesian principal component analysis

ABSTRACT

We propose a multiple imputation method based on principal component analysis (PCA) to deal with incomplete continuous data. To reflect the uncertainty of the parameters from one imputation to the next, we use a Bayesian treatment of the PCA model. Using a simulation study and real data sets, the method is compared to two classical approaches: multiple imputation based on joint modelling and on fully conditional modelling. Contrary to the others, the proposed method can be easily used on data sets where the number of individuals is less than the number of variables and when the variables are highly correlated. In addition, it provides unbiased point estimates of quantities of interest, such as an expectation, a regression coefficient or a correlation coefficient, with a smaller mean squared error. Furthermore, the widths of the confidence intervals built for the quantities of interest are often smaller whilst ensuring a valid coverage.     

Hierarchical clustering of variables: a comparison among strategies of analysis

In this paper some hierarchical methods for identifying groups of variables are illustrated and compared. It is shown that the use of multivariate association measures between two sets of variables can overcome the drawbacks of the usually employed bivariate correlation coefficient, but the resulting methods are generally not monotonic. Thus a new multivariate association measure is proposed, based on the links existing between canonical correlation analysis and principal component analysis, which can be more suitably used for the purpose at hand. The hierarchical method based on the suggested measure is illustrated and compared with other possible solutions by analysing simulated and real data sets. Finally an extension of the suggested method to the more general situation of mixed (qualitative and quantitative) variables is proposed and theoretically discussed.     

A Procedure for Identification of Principal Variables by Least Generalized Dependence

Principal components are often used for reducing dimensions in multivariate data, but they frequently fail to provide useful results and their interpretation is rather difficult. In this article, the use of entropy optimization principles for dimensional reduction in multivariate data is proposed. Under the assumptions of multivariate normality, a four-step procedure is developed for selecting principal variables and hence discarding redundant variables. For comparative performance of the information theoretic procedure, we use simulated data with known dimensionality. Principal variables of cluster bean (Guar) are identified by applying this procedure to a real data set generated in a plant breeding experiment.     

Some orthogonal expansions for the logistic distribution

We expand a continuous random variable as a sum of a sequence of un-correlated random variables. These variables are principal components of a Bernoulli process, as well as principal dimensions in continuous metric scaling on a particular distance function. We obtain expansions for the uniform, exponential and logistic distributions. A goodness-of-fit application is given.     

基于高维数据的改进CCC-GARCH模型的估计及应用

高维数据给传统的协方差阵估计方法带来了巨大的挑战,数据维度和噪声的影响使传统的CCCGARCH模型估计起来较为困难。将主成分和门限方法有效结合,应用到CCC-GARCH模型的估计中,提出基于主成分正交补门限方法的CCC-GARCH模型(PTCCC-GARCH)。PTCCC模型主要通过前K个最优主成分来刻画大维协方差阵的信息,并通过门限函数以剔除噪声的影响。通过模拟和实证研究发现:较CCCGARCH模型而言,PTCCC-GARCH模型明显提高了高维协方差阵的估计和预测效率;并且将其应用在投资组合时,投资者获得了更高的投资收益和经济福利。