Mixed-Integer Convex Nonlinear Optimization with Gradient-Boosted Trees Embedded

Decision trees usefully represent sparse, high dimensional and noisy data. Having learned a function from this data, we may want to thereafter integrate the function into a larger decision-making problem, e.g., for picking the best chemical process catalyst. We study a large-scale, industrially-relevant mixed-integer nonlinear nonconvex optimization problem involving both gradient-boosted trees and penalty functions mitigating risk. This mixed-integer optimization problem with convex penalty terms broadly applies to optimizing pre-trained regression tree models. Decision makers may wish to optimize discrete models to repurpose legacy predictive models, or they may wish to optimize a discrete model that particularly well-represents a data set. We develop several heuristic methods to find feasible solutions, and an exact, branch-and-bound algorithm leveraging structural properties of the gradient-boosted trees and penalty functions. We computationally test our methods on concrete mixture design instance and a chemical catalysis industrial instance

Consistent Second-Order Conic Integer Programming for Learning Bayesian Networks

Bayesian Networks (BNs) represent conditional probability relations among a set of random variables (nodes) in the form of a directed acyclic graph (DAG), and have found diverse applications in knowledge discovery. We study the problem of learning the sparse DAG structure of a BN from continuous observational data. The central problem can be modeled as a mixed-integer program with an objective function composed of a convex quadratic loss function and a regularization penalty subject to linear constraints. The optimal solution to this mathematical program is known to have desirable statistical properties under certain conditions. However, the state-of-the-art optimization solvers are not able to obtain provably optimal solutions to the existing mathematical formulations for medium-size problems within reasonable computational times. To address this difficulty, we tackle the problem from both computational and statistical perspectives. On the one hand, we propose a concrete early stopping criterion to terminate the branch-and-bound process in order to obtain a near-optimal solution to the mixed-integer program, and establish the consistency of this approximate solution. On the other hand, we improve the existing formulations by replacing the linear "big-$M$" constraints that represent the relationship between the continuous and binary indicator variables with second-order conic constraints. Our numerical results demonstrate the effectiveness of the proposed approaches

A Unified View of Piecewise Linear Neural Network Verification

The success of Deep Learning and its potential use in many safety-critical applications has motivated research on formal verification of Neural Network (NN) models. Despite the reputation of learned NN models to behave as black boxes and the theoretical hardness of proving their properties, researchers have been successful in verifying some classes of models by exploiting their piecewise linear structure and taking insights from formal methods such as Satisifiability Modulo Theory. These methods are however still far from scaling to realistic neural networks. To facilitate progress on this crucial area, we make two key contributions. First, we present a unified framework that encompasses previous methods. This analysis results in the identification of new methods that combine the strengths of multiple existing approaches, accomplishing a speedup of two orders of magnitude compared to the previous state of the art. Second, we propose a new data set of benchmarks which includes a collection of previously released testcases. We use the benchmark to provide the first experimental comparison of existing algorithms and identify the factors impacting the hardness of verification problems.Comment: Updated version of "Piecewise Linear Neural Network verification: A comparative study

Efficient Semidefinite Branch-and-Cut for MAP-MRF Inference

We propose a Branch-and-Cut (B&C) method for solving general MAP-MRF inference problems. The core of our method is a very efficient bounding procedure, which combines scalable semidefinite programming (SDP) and a cutting-plane method for seeking violated constraints. In order to further speed up the computation, several strategies have been exploited, including model reduction, warm start and removal of inactive constraints. We analyze the performance of the proposed method under different settings, and demonstrate that our method either outperforms or performs on par with state-of-the-art approaches. Especially when the connectivities are dense or when the relative magnitudes of the unary costs are low, we achieve the best reported results. Experiments show that the proposed algorithm achieves better approximation than the state-of-the-art methods within a variety of time budgets on challenging non-submodular MAP-MRF inference problems.Comment: 21 page

A Geometric Approach to Sound Source Localization from Time-Delay Estimates

This paper addresses the problem of sound-source localization from time-delay estimates using arbitrarily-shaped non-coplanar microphone arrays. A novel geometric formulation is proposed, together with a thorough algebraic analysis and a global optimization solver. The proposed model is thoroughly described and evaluated. The geometric analysis, stemming from the direct acoustic propagation model, leads to necessary and sufficient conditions for a set of time delays to correspond to a unique position in the source space. Such sets of time delays are referred to as feasible sets. We formally prove that every feasible set corresponds to exactly one position in the source space, whose value can be recovered using a closed-form localization mapping. Therefore we seek for the optimal feasible set of time delays given, as input, the received microphone signals. This time delay estimation problem is naturally cast into a programming task, constrained by the feasibility conditions derived from the geometric analysis. A global branch-and-bound optimization technique is proposed to solve the problem at hand, hence estimating the best set of feasible time delays and, subsequently, localizing the sound source. Extensive experiments with both simulated and real data are reported; we compare our methodology to four state-of-the-art techniques. This comparison clearly shows that the proposed method combined with the branch-and-bound algorithm outperforms existing methods. These in-depth geometric understanding, practical algorithms, and encouraging results, open several opportunities for future work.Comment: 13 pages, 2 figures, 3 table, journa