In high dimensions we propose and analyze an aggregation estimator of the precision matrix for Gaussian graphical models. This estimator, called graphical Exponential Screening (gES), linearly combines a suitable set of individual estimators with different underlying graphs, and balances the estimation error and sparsity. We study the risk of this aggregation estimator and show that it is comparable to that of the best estimator based on a single graph, chosen by an oracle. Numerical performance of our method is investigated using both simulated and real datasets, in comparison with some state-of-art estimation procedures.
We propose {graphical sure screening}, or GRASS, a very simple and computationally-efficient screening procedure for recovering the structure of a Gaussian graphical model in the high-dimensional setting. The GRASS estimate of the conditional dependence graph is obtained by thresholding the elements of the sample covariance matrix. The proposed approach possesses the sure screening property: with very high probability, the GRASS estimated edge set contains the true edge set. Furthermore, with high probability, the size of the estimated edge set is controlled. We provide a choice of threshold f…
We develop Square Root Graphical Models (SQR), a novel class of parametric graphical models that provides multivariate generalizations of univariate exponential family distributions. Previous multivariate graphical models [Yang et al. 2015] did not allow positive dependencies for the exponential and Poisson generalizations. However, in many real-world datasets, variables clearly have positive dependencies. For example, the airport delay time in New York---modeled as an exponential distribution---is positively related to the delay time in Boston. With this motivation, we give an example of our …
We present a novel k-way high-dimensional graphical model called the Generalized Root Model (GRM) that explicitly models dependencies between variable sets of size k > 2---where k = 2 is the standard pairwise graphical model. This model is based on taking the k-th root of the original sufficient statistics of any univariate exponential family with positive sufficient statistics, including the Poisson and exponential distributions. As in the recent work with square root graphical (SQR) models [Inouye et al. 2016]---which was restricted to pairwise dependencies---we give the conditions of the pa…
We propose a new class of semiparametric exponential family graphical models for the analysis of high dimensional mixed data. Different from the existing mixed graphical models, we allow the nodewise conditional distributions to be semiparametric generalized linear models with unspecified base measure functions. Thus, one advantage of our method is that it is unnecessary to specify the type of each node and the method is more convenient to apply in practice. Under the proposed model, we consider both problems of parameter estimation and hypothesis testing in high dimensions. In particular, we …
We provide a classification of graphical models according to their representation as subfamilies of exponential families. Undirected graphical models with no hidden variables are linear exponential families (LEFs), directed acyclic graphical models and chain graphs with no hidden variables, including Bayesian networks with several families of local distributions, are curved exponential families (CEFs) and graphical models with hidden variables are stratified exponential families (SEFs). An SEF is a finite union of CEFs satisfying a frontier condition. In addition, we illustrate how one can aut…
Undirected graphical models, or Markov networks, are a popular class of statistical models, used in a wide variety of applications. Popular instances of this class include Gaussian graphical models and Ising models. In many settings, however, it might not be clear which subclass of graphical models to use, particularly for non-Gaussian and non-categorical data. In this paper, we consider a general sub-class of graphical models where the node-wise conditional distributions arise from exponential families. This allows us to derive multivariate graphical model distributions from univariate expone…
Material Research Institute, Queen Mary, University of London（伦敦大学玛丽女王学院材料研究所）
In the majority of molecular optimization tasks, predictive machine learning (ML) models are limited due to the unavailability and cost of generating big experimental datasets on the specific task. To circumvent this limitation, ML models are trained on big theoretical datasets or experimental indicators of molecular suitability that are either publicly available or inexpensive to acquire. These approaches produce a set of candidate molecules which have to be ranked using limited experimental data or expert knowledge. Under the assumption that structure is related to functionality, here we use…
We present Vector-Space Markov Random Fields (VS-MRFs), a novel class of undirected graphical models where each variable can belong to an arbitrary vector space. VS-MRFs generalize a recent line of work on scalar-valued, uni-parameter exponential family and mixed graphical models, thereby greatly broadening the class of exponential families available (e.g., allowing multinomial and Dirichlet distributions). Specifically, VS-MRFs are the joint graphical model distributions where the node-conditional distributions belong to generic exponential families with general vector space domains. We also …
This paper studies large-scale dynamical networks where the current state of the system is a linear transformation of the previous state, contaminated by a multivariate Gaussian noise. Examples include stock markets, human brains and gene regulatory networks. We introduce a transition matrix to describe the evolution, which can be translated to a directed Granger transition graph, and use the concentration matrix of the Gaussian noise to capture the second-order relations between nodes, which can be translated to an undirected conditional dependence graph. We propose regularizing the two graph…
ETH Zürich（苏黎世联邦理工学院）；University of Wisconsin, Madison（威斯康星大学麦迪逊分校）；Caltech（加州理工学院）
Fitting a graphical model to a collection of random variables given sample observations is a challenging task if the observed variables are influenced by latent variables, which can induce significant confounding statistical dependencies among the observed variables. We present a new convex relaxation framework based on regularized conditional likelihood for latent-variable graphical modeling in which the conditional distribution of the observed variables conditioned on the latent variables is given by an exponential family graphical model. In comparison to previously proposed tractable method…
Graphical models are useful tools for describing structured high-dimensional probability distributions. Development of efficient algorithms for learning graphical models with least amount of data remains an active research topic. Reconstruction of graphical models that describe the statistics of discrete variables is a particularly challenging problem, for which the maximum likelihood approach is intractable. In this work, we provide the first sample-efficient method based on the Interaction Screening framework that allows one to provably learn fully general discrete factor models with node-sp…
We investigate a generic problem of learning pairwise exponential family graphical models with pairwise sufficient statistics defined by a global mapping function, e.g., Mercer kernels. This subclass of pairwise graphical models allow us to flexibly capture complex interactions among variables beyond pairwise product. We propose two $\ell_1$-norm penalized maximum likelihood estimators to learn the model parameters from i.i.d. samples. The first one is a joint estimator which estimates all the parameters simultaneously. The second one is a node-wise conditional estimator which estimates the pa…
We address the problem of learning of continuous exponential family distributions with unbounded support. While a lot of progress has been made on learning of Gaussian graphical models, we still lack scalable algorithms for reconstructing general continuous exponential families modeling higher-order moments of the data beyond the mean and the covariance. Here, we introduce a computationally efficient method for learning continuous graphical models based on the Interaction Screening approach. Through a series of numerical experiments, we show that our estimator maintains similar requirements in…
Arizona State University（亚利桑那州立大学）；University of Minnesota（明尼苏达大学）
In this paper, we consider the problem of estimating multiple graphical models simultaneously using the fused lasso penalty, which encourages adjacent graphs to share similar structures. A motivating example is the analysis of brain networks of Alzheimer's disease using neuroimaging data. Specifically, we may wish to estimate a brain network for the normal controls (NC), a brain network for the patients with mild cognitive impairment (MCI), and a brain network for Alzheimer's patients (AD). We expect the two brain networks for NC and MCI to share common structures but not to be identical to ea…
This paper is concerned with the problems of interaction screening and nonlinear classification in a high-dimensional setting. We propose a two-step procedure, IIS-SQDA, where in the first step an innovated interaction screening (IIS) approach based on transforming the original $p$-dimensional feature vector is proposed, and in the second step a sparse quadratic discriminant analysis (SQDA) is proposed for further selecting important interactions and main effects and simultaneously conducting classification. Our IIS approach screens important interactions by examining only $p$ features instead…
Massachusetts Institute of Technology（麻省理工学院）；Los Alamos National Laboratory（洛斯阿拉莫斯国家实验室）
The usual setting for learning the structure and parameters of a graphical model assumes the availability of independent samples produced from the corresponding multivariate probability distribution. However, for many models the mixing time of the respective Markov chain can be very large and i.i.d. samples may not be obtained. We study the problem of reconstructing binary graphical models from correlated samples produced by a dynamical process, which is natural in many applications. We analyze the sample complexity of two estimators that are based on the interaction screening objective and th…
University of Arizona（亚利桑那大学）；Skolkovo Institute of Technology（斯科尔科沃科学技术研究院）；Wayne State University（韦恩州立大学）；Los Alamos National Laboratory（洛斯阿拉莫斯国家实验室）
Graphical models represent multivariate and generally not normalized probability distributions. Computing the normalization factor, called the partition function, is the main inference challenge relevant to multiple statistical and optimization applications. The problem is of an exponential complexity with respect to the number of variables. In this manuscript, aimed at approximating the PF, we consider Multi-Graph Models where binary variables and multivariable factors are associated with edges and nodes, respectively, of an undirected multi-graph. We suggest a new methodology for analysis an…
Gaussian graphical regression is a powerful means that regresses the precision matrix of a Gaussian graphical model on covariates, permitting the numbers of the response variables and covariates to far exceed the sample size. Model fitting is typically carried out via separate node-wise lasso regressions, ignoring the network-induced structure among these regressions. Consequently, the error rate is high, especially when the number of nodes is large. We propose a multi-task learning estimator for fitting Gaussian graphical regression models; we design a cross-task group sparsity penalty and a …
We investigate the relationship between the structure of a discrete graphical model and the support of the inverse of a generalized covariance matrix. We show that for certain graph structures, the support of the inverse covariance matrix of indicator variables on the vertices of a graph reflects the conditional independence structure of the graph. Our work extends results that have previously been established only in the context of multivariate Gaussian graphical models, thereby addressing an open question about the significance of the inverse covariance matrix of a non-Gaussian distribution.…
We describe an R package named huge which provides easy-to-use functions for estimating high dimensional undirected graphs from data. This package implements recent results in the literature, including Friedman et al. (2007), Liu et al. (2009, 2012) and Liu et al. (2010). Compared with the existing graph estimation package glasso, the huge package provides extra features: (1) instead of using Fortan, it is written in C, which makes the code more portable and easier to modify; (2) besides fitting Gaussian graphical models, it also provides functions for fitting high dimensional semiparametric G…
Los Alamos National Laboratory（洛斯阿拉莫斯国家实验室）；Center for Nonlinear Studies（非线性研究中心）；Skolkovo Institute of Science and Technology（斯科尔科沃科学技术学院）
We consider the problem of learning the underlying graph of an unknown Ising model on p spins from a collection of i.i.d. samples generated from the model. We suggest a new estimator that is computationally efficient and requires a number of samples that is near-optimal with respect to previously established information-theoretic lower-bound. Our statistical estimator has a physical interpretation in terms of "interaction screening". The estimator is consistent and is efficiently implemented using convex optimization. We prove that with appropriate regularization, the estimator recovers the un…
