Sparse Gaussian Graphical Models with Discrete Optimization: Computational and Statistical Perspectives

arXiv stat.ML / 4/7/2026

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Key Points

  • The paper tackles learning sparse graphs for Gaussian graphical models by estimating a sparse precision matrix from n samples, focusing on computational and statistical performance.
  • It introduces GraphL0BnB, which uses an \(\ell_0\)-penalized pseudo-likelihood formulation rather than the common \(\ell_1\) relaxation, aiming to better promote sparsity.
  • The method is cast as a convex mixed-integer program (MIP), but solving it at larger scales is challenging with standard commercial solvers.
  • To address this, the authors design a custom nonlinear branch-and-bound (BnB) algorithm with tailored first-order methods for node relaxations and additional large-scale solvers for strong primal solutions.
  • The paper provides new statistical guarantees for estimation and variable selection and reports numerical results indicating improved runtime and statistical accuracy versus off-the-shelf MIP solvers and state-of-the-art alternatives.

Abstract

We consider the problem of learning a sparse graph underlying an undirected Gaussian graphical model, a key problem in statistical machine learning. Given n samples from a multivariate Gaussian distribution with p variables, the goal is to estimate the p \times p inverse covariance matrix (aka precision matrix), assuming it is sparse (i.e., has a few nonzero entries). We propose GraphL0BnB, a new estimator based on an \ell_0-penalized version of the pseudo-likelihood function, while most earlier approaches are based on the \ell_1-relaxation. Our estimator can be formulated as a convex mixed integer program (MIP) which can be difficult to compute beyond p\approx 100 using off-the-shelf commercial solvers. To solve the MIP, we propose a custom nonlinear branch-and-bound (BnB) framework that solves node relaxations with tailored first-order methods. As a key component of our BnB framework, we propose large-scale solvers for obtaining good primal solutions that are of independent interest. We derive novel statistical guarantees (estimation and variable selection) for our estimator and discuss how our approach improves upon existing estimators. Our numerical experiments on real and synthetic datasets suggest that our BnB framework offers significant advantages over off-the-shelf commercial solvers, and our approach has favorable performance (both in terms of runtime and statistical performance) compared to the state-of-the-art approaches for learning sparse graphical models.