Missing data estimation is an important challenge with high-dimensional data arranged in the form of a matrix. Typically this data matrix is transposable, meaning that either the rows, columns or both can be treated as features. To model transposable data, we present a modification of the matrix-variate normal, the mean-restricted matrix-variate normal, in which the rows and columns each have a separate mean vector and covariance matrix. By placing additive penalties on the inverse covariance matrices of the rows and columns, these so called transposable regularized covariance models allow for maximum likelihood estimation of the mean and non-singular covariance matrices. Using these models, we formulate EM-type algorithms for missing data imputation in both the multivariate and transposable frameworks. We present theoretical results exploiting the structure of our transposable models that allow these models and imputation methods to be applied to high-dimensional data. Simulations and results on microarray data and the Netflix data show that these imputation techniques often outperform existing methods and offer a greater degree of flexibility.

In the biclustering problem, we seek to simultaneously group observations and features. While biclustering has applications in a wide array of domains, ranging from text mining to collaborative filtering, the problem of identifying structure in high-dimensional genomic data motivates this work. In this context, biclustering enables us to identify subsets of genes that are co-expressed only within a subset of experimental conditions. We present a convex formulation of the biclustering problem that possesses a unique global minimizer and an iterative algorithm, COBRA, that is guaranteed to identify it. Our approach generates an entire solution path of possible biclusters as a single tuning parameter is varied. We also show how to reduce the problem of selecting this tuning parameter to solving a trivial modification of the convex biclustering problem. The key contributions of our work are its simplicity, interpretability, and algorithmic guarantees-features that arguably are lacking in the current alternative algorithms. We demonstrate the advantages of our approach, which includes stably and reproducibly identifying biclusterings, on simulated and real microarray data.

Variables in many massive high-dimensional data sets are structured, arising for example from measurements on a regular grid as in imaging and time series or from spatial-temporal measurements as in climate studies. Classical multivariate techniques ignore these structural relationships often resulting in poor performance. We propose a generalization of the singular value decomposition (SVD) and principal components analysis (PCA) that is appropriate for massive data sets with structured variables or known two-way dependencies. By finding the best low rank approximation of the data with respect to a transposable quadratic norm, our decomposition, entitled the Generalized least squares Matrix Decomposition (GMD), directly accounts for structural relationships. As many variables in high-dimensional settings are often irrelevant or noisy, we also regularize our matrix decomposition by adding two-way penalties to encourage sparsity or smoothness. We develop fast computational algorithms using our methods to perform generalized PCA (GPCA), sparse GPCA, and functional GPCA on massive data sets. Through simulations and a whole brain functional MRI example we demonstrate the utility of our methodology for dimension reduction, signal recovery, and feature selection with high-dimensional structured data.

Regularized variants of Principal Components Analysis, especially Sparse PCA and Functional PCA, are among the most useful tools for the analysis of complex high-dimensional data. Many examples of massive data, have both sparse and functional (smooth) aspects and may benefit from a regularization scheme that can capture both forms of structure. For example, in neuro-imaging data, the brain's response to a stimulus may be restricted to a discrete region of activation (spatial sparsity), while exhibiting a smooth response within that region. We propose a unified approach to regularized PCA which can induce both sparsity and smoothness in both the row and column principal components. Our framework generalizes much of the previous literature, with sparse, functional, two-way sparse, and two-way functional PCA all being special cases of our approach. Our method permits flexible combinations of sparsity and smoothness that lead to improvements in feature selection and signal recovery, as well as more interpretable PCA factors. We demonstrate the efficacy of our method on simulated data and a neuroimaging example on EEG data.

zhandong.liu@bcm.edu.