A Framework for Globally Optimizing Mixed-Integer Signomial Programs

Mixed-integer signomial optimization problems have broad applicability in engineering. Extending the Global Mixed-Integer Quadratic Optimizer, GloMIQO (Misener, Floudas in J. Glob. Optim., 2012. doi:10.1007/s10898-012-9874-7), this manuscript documents a computational framework for deterministically addressing mixed-integer signomial optimization problems to ε-global optimality. This framework generalizes the GloMIQO strategies of (1) reformulating user input, (2) detecting special mathematical structure, and (3) globally optimizing the mixed-integer nonconvex program. Novel contributions of this paper include: flattening an expression tree towards term-based data structures; introducing additional nonconvex terms to interlink expressions; integrating a dynamic implementation of the reformulation-linearization technique into the branch-and-cut tree; designing term-based underestimators that specialize relaxation strategies according to variable bounds in the current tree node. Computational results are presented along with comparison of the computational framework to several state-of-the-art solvers. © 2013 Springer Science+Business Media New York

Using Functional Programming to recognize Named Structure in an Optimization Problem: Application to Pooling

Branch-and-cut optimization solvers typically apply generic algorithms, e.g., cutting planes or primal heuristics, to expedite performance for many mathematical optimization problems. But solver software receives an input optimization problem as vectors of equations and constraints containing no structural information. This article proposes automatically detecting named special structure using the pattern matching features of functional programming. Specifically, we deduce the industrially-relevant nonconvex nonlinear Pooling Problem within a mixed-integer nonlinear optimization problem and show that we can uncover pooling structure in optimization problems which are not pooling problems. Previous work has shown that preprocessing heuristics can find network structures; we show that we can additionally detect nonlinear pooling patterns. Finding named structures allows us to apply, to generic optimization problems, cutting planes or primal heuristics developed for the named structure. To demonstrate the recognition algorithm, we use the recognized structure to apply primal heuristics to a test set of standard pooling problems

GPdoemd: a python package for design of experiments for model discrimination

GPdoemd is an open-source python package for design of experiments for model discrimination that uses Gaussian process surrogate models to approximate and maximise the divergence between marginal predictive distributions of rival mechanistic models. GPdoemd uses the divergence prediction to suggest a maximally informative next experiment

Dynamically generated cutting planes for mixed-integer quadratically constrained quadratic programs and their incorporation into GloMIQO 2

<div><p>The global mixed-integer quadratic optimizer, GloMIQO, addresses mixed-integer quadratically constrained quadratic programs (MIQCQP) to ε-global optimality. This paper documents the branch-and-cut framework integrated into GloMIQO 2. Cutting planes are derived from reformulation–linearization technique equations, convex multivariable terms, αBB convexifications, and low- and high-dimensional edge-concave aggregations. Cuts are based on both individual equations and collections of nonlinear terms in MIQCQP. Novel contributions of this paper include: development of a corollary to Crama's [<i>Concave extensions for nonlinear 0-1 maximization problems</i>, Math. Program. 61 (1993), pp. 53–60] necessary and sufficient condition for the existence of a cut dominating the termwise relaxation of a bilinear expression; algorithmic descriptions for deriving each class of cut; presentation of a branch-and-cut framework integrating the cuts. Computational results are presented along with comparison of the GloMIQO 2 performance to several state-of-the-art solvers.</p></div

Design of Experiments for Model Discrimination Hybridising Analytical and Data-Driven Approaches

Healthcare companies must submit pharmaceutical drugs or medical devices to regulatory bodies before marketing new technology. Regulatory bodies frequently require transparent and interpretable computational modelling to justify a new healthcare technology, but researchers may have several competing models for a biological system and too little data to discriminate between the models. In design of experiments for model discrimination, the goal is to design maximally informative physical experiments in order to discriminate between rival predictive models. Prior work has focused either on analytical approaches, which cannot manage all functions, or on datadriven approaches, which may have computational difficulties or lack interpretable marginal predictive distributions. We develop a methodology introducing Gaussian process surrogates in lieu of the original mechanistic models. We thereby extend existing design and model discrimination methods developed for analytical models to cases of non-analytical models in a computationally efficient manner

Between steps: Intermediate relaxations between big-M and convex hull formulations

This work develops a class of relaxations in between the big-M and convex hull formulations of disjunctions, drawing advantages from both. The proposed "P-split" formulations split convex additively separable constraints into P partitions and form the convex hull of the partitioned disjuncts. Parameter P represents the trade-off of model size vs. relaxation strength. We examine the novel formulations and prove that, under certain assumptions, the relaxations form a hierarchy starting from a big-M equivalent and converging to the convex hull. We computationally compare the proposed formulations to big-M and convex hull formulations on a test set including: K-means clustering, P_ball problems, and ReLU neural networks. The computational results show that the intermediate P-split formulations can form strong outer approximations of the convex hull with fewer variables and constraints than the extended convex hull formulations, giving significant computational advantages over both the big-M and convex hull

Partition-based formulations for mixed-integer optimization of trained ReLU neural networks

This paper introduces a class of mixed-integer formulations for trained ReLU neural networks. The approach balances model size and tightness by partitioning node inputs into a number of groups and forming the convex hull over the partitions via disjunctive programming. At one extreme, one partition per input recovers the convex hull of a node, i.e., the tightest possible formulation for each node. For fewer partitions, we develop smaller relaxations that approximate the convex hull, and show that they outperform existing formulations. Specifically, we propose strategies for partitioning variables based on theoretical motivations and validate these strategies using extensive computational experiments. Furthermore, the proposed scheme complements known algorithmic approaches, e.g., optimization-based bound tightening captures dependencies within a partition

A robust approach to warped Gaussian process-constrained optimization

Optimization problems with uncertain black-box constraints, modeled by warped Gaussian processes, have recently been considered in the Bayesian optimization setting. This work introduces a new class of constraints in which the same black-box function occurs multiple times evaluated at different domain points. Such constraints are important in applications where, e.g., safety-critical measures are aggregated over multiple time periods. Our approach, which uses robust optimization, reformulates these uncertain constraints into deterministic constraints guaranteed to be satisfied with a specified probability, i.e., deterministic approximations to a chance constraint. This approach extends robust optimization methods from parametric uncertainty to uncertain functions modeled by warped Gaussian processes. We analyze convexity conditions and propose a custom global optimization strategy for non-convex cases. A case study derived from production planning and an industrially relevant example from oil well drilling show that the approach effectively mitigates uncertainty in the learned curves. For the drill scheduling example, we develop a custom strategy for globally optimizing integer decisions