Multivariate decision trees are powerful machine learning tools for classification and regression that attract many researchers and industry professionals. An optimal binary tree has two types of vertices, (i) branching vertices which have exactly two children and where datapoints are assessed on a set of discrete features and (ii) leaf vertices at which datapoints are given a prediction, and can be obtained by solving a biobjective optimization problem that seeks to (i) maximize the number of correctly classified datapoints and (ii) minimize the number of branching vertices. Branching vertices are linear combinations of training features and therefore can be thought of as hyperplanes. In this paper, we propose two cut-based mixed integer linear optimization (MILO) formulations for designing optimal binary classification trees (leaf vertices assign discrete classes). Our models leverage on-the-fly identification of minimal infeasible subsystems (MISs) from which we derive cutting planes that hold the form of packing constraints. We show theoretical improvements on the strongest flow-based MILO formulation currently in the literature and conduct experiments on publicly available datasets to show our models' ability to scale, strength against traditional branch and bound approaches, and robustness in out-of-sample test performance. Our code and data are available on GitHub.

Decision trees are powerful tools for classification and regression that attract many researchers working in the burgeoning area of machine learning. One advantage of decision trees over other methods is their interpretability, which is often preferred over other higher accuracy methods that are relatively uninterpretable. A binary classification tree has two types of vertices: (i) branching vertices which have exactly two children and where datapoints are assessed on a set of discrete features; and (ii) leaf vertices at which datapoints are given a discrete prediction. An optimal binary classification tree can be obtained by solving a biobjective optimization problem that seeks to (i) maximize the number of correctly classified datapoints and (ii) minimize the number of branching vertices. In this paper, we propose four mixed integer linear optimization (MILO) formulations for designing optimal binary classification trees: two flow-based formulations and two-cut based formulations. We provide theoretical comparisons between our proposed formulations and the strongest flow-based MILO formulation of Aghaei et al. (2021). We conduct experiments on 13 publicly available datasets to show the models' ability to scale and the strength of a biobjective approach using Pareto frontiers. Our code and data are available on GitHub.

We propose a novel high-dimensional linear regression estimator: the Discrete Dantzig Selector, which minimizes the number of nonzero regression coefficients subject to a budget on the maximal absolute correlation between the features and residuals. Motivated by the significant advances in integer optimization over the past 10-15 years, we present a Mixed Integer Linear Optimization (MILO) approach to obtain certifiably optimal global solutions to this nonconvex optimization problem. The current state of algorithmics in integer optimization makes our proposal substantially more computationally attractive than the least squares subset selection framework based on integer quadratic optimization, recently proposed in [8] and the continuous nonconvex quadratic optimization framework of [33]. We propose new discrete first-order methods, which when paired with state-of-the-art MILO solvers, lead to good solutions for the Discrete Dantzig Selector problem for a given computational budget. We illustrate that our integrated approach provides globally optimal solutions in significantly shorter computation times, when compared to off-the-shelf MILO solvers. We demonstrate both theoretically and empirically that in a wide range of regimes the statistical properties of the Discrete Dantzig Selector are superior to those of popular $\ell_{1}$-based approaches. We illustrate that our approach can handle problem instances with p = 10,000 features with certifiable optimality making it a highly scalable combinatorial variable selection approach in sparse linear modeling.