Building on a recent framework for distributionally robust optimization, we consider inverse covariance matrix estimation for multivariate data. A novel notion of Wasserstein ambiguity set is provided that is specifically tailored to this problem, leading to a tractable class of regularized estimators. Penalized likelihood estimators for Gaussian data, specifically the graphical lasso estimator, are special cases. Consequently, a direction connection is made between the radius of the Wasserstein ambiguity and the regularization parameter, so that the level of robustness of the estimator is shown to correspond to the level of confidence with which the ambiguity set contains a distribution with the population covariance. A unique feature of the formulation is that the radius can be expressed in closed-form as a function of the ordinary sample covariance matrix. Taking advantage of this finding, a simple algorithm is developed to determine a regularization parameter for graphical lasso, using only the bootstrapped sample covariance matrices, rendering computationally expensive repeated evaluation of the graphical lasso algorithm unnecessary. Alternatively, the distributionally robust formulation can also quantify the robustness of the corresponding estimator if one uses an off-the-shelf method such as cross-validation. Finally, a numerical study is performed to analyze the robustness of the proposed method relative to other automated tuning procedures used in practice.

Across a variety of scientific disciplines, sparse inverse covariance estimation is a popular tool for capturing the underlying dependency relationships in multivariate data. Unfortunately, most estimators are not scalable enough to handle the sizes of modern high-dimensional data sets (often on the order of terabytes), and assume Gaussian samples. To address these deficiencies, we introduce HP-CONCORD, a highly scalable optimization method for estimating a sparse inverse covariance matrix based on a regularized pseudolikelihood framework, without assuming Gaussianity. Our parallel proximal gradient method uses a novel communication-avoiding linear algebra algorithm and runs across a multi-node cluster with up to 1k nodes (24k cores), achieving parallel scalability on problems with up to ≈819 billion parameters (1.28 million dimensions); even on a single node, HP-CONCORD demonstrates scalability, outperforming a state-of-the-art method. We also use HP-CONCORD to estimate the underlying dependency structure of the brain from fMRI data, and use the result to identify functional regions automatically. The results show good agreement with a clustering from the neuroscience literature.

We introduce PseudoNet, a new pseudolikelihood-based estimator of the inverse covariance matrix, that has a number of useful statistical and computational properties. We show, through detailed experiments with synthetic and also real-world finance as well as wind power data, that PseudoNet outperforms related methods in terms of estimation error and support recovery, making it well-suited for use in a downstream application, where obtaining low estimation error can be important. We also show, under regularity conditions, that PseudoNet is consistent. Our proof assumes the existence of accurate estimates of the diagonal entries of the underlying inverse covariance matrix; we additionally provide a two-step method to obtain these estimates, even in a high-dimensional setting, going beyond the proofs for related methods. Unlike other pseudolikelihood-based methods, we also show that PseudoNet does not saturate, i.e., in high dimensions, there is no hard limit on the number of nonzero entries in the PseudoNet estimate. We present a fast algorithm as well as screening rules that make computing the PseudoNet estimate over a range of tuning parameters tractable.

Experiments in particle physics produce enormous quantities of data that must be analyzed and interpreted by teams of physicists. This analysis is often exploratory, where scientists are unable to enumerate the possible types of signal prior to performing the experiment. Thus, tools for summarizing, clustering, visualizing and classifying high-dimensional data are essential. In this work, we show that meaningful physical content can be revealed by transforming the raw data into a learned high-level representation using deep neural networks, with measurements taken at the Daya Bay Neutrino Experiment as a case study. We further show how convolutional deep neural networks can provide an effective classification filter with greater than 97% accuracy across different classes of physics events, significantly better than other machine learning approaches.

Multiplication of a sparse matrix with a dense matrix is a building block of an increasing number of applications in many areas such as machine learning and graph algorithms. However, most previous work on parallel matrix multiplication considered only both dense or both sparse matrix operands. This paper analyzes the communication lower bounds and compares the communication costs of various classic parallel algorithms in the context of sparse-dense matrix-matrix multiplication. We also present new communication-avoiding algorithms based on a 1D decomposition, called 1.5D, which - while suboptimal in dense-dense and sparse-sparse cases - outperform the 2D and 3D variants both theoretically and in practice for sparse-dense multiplication. Our analysis separates one-time costs from per iteration costs in an iterative machine learning context. Experiments demonstrate speedups up to 100x over a baseline 3D SUMMA implementation and show parallel scaling over 10 thousand cores.