Designing optimal mixtures using generalized disjunctive programming: Hull relaxations

A general modeling framework for mixture design problems, which integrates Generalized Disjunctive Programming (GDP) into the Computer-Aided Mixture/blend Design (CAMbD) framework, was recently proposed (S. Jonuzaj, P.T. Akula, P.-M. Kleniati, C.S. Adjiman, 2016. AIChE Journal 62, 1616–1633). In this paper we derive Hull Relaxations (HR) of GDP mixture design problems as an alternative to the big-M (BM) approach presented in this earlier work. We show that in restricted mixture design problems, where the number of components is fixed and their identities and compositions are optimized, BM and HR formulations are identical. For general mixture design problems, where the optimal number of mixture components is also determined, a generic approach is employed to enable the derivation and solution of the HR formulation for problems involving functions that are not defined at zero (e.g., logarithms). The design methodology is applied successfully to two solvent design case studies: the maximization of the solubility of a drug and the separation of acetic acid from water in a liquid-liquid extraction process. Promising solvent mixtures are identified in both case studies. The HR and BM approaches are found to be effective for the formulation and solution of mixture design problems, especially via the general design problem

Embedding Formulations and Complexity for Unions of Polyhedra

It is well known that selecting a good Mixed Integer Programming (MIP) formulation is crucial for an effective solution with state-of-the art solvers. While best practices and guidelines for constructing good formulations abound, there is rarely a systematic construction leading to the best possible formulation. We introduce embedding formulations and complexity as a new MIP formulation paradigm for systematically constructing formulations for disjunctive constraints that are optimal with respect to size. More specifically, they yield the smallest possible ideal formulation (i.e. one whose LP relaxation has integral extreme points) among all formulations that only use 0-1 auxiliary variables. We use the paradigm to characterize optimal formulations for SOS2 constraints and certain piecewise linear functions of two variables. We also show that the resulting formulations can provide a significant computational advantage over all known formulations for piecewise linear functions.United States. National Science Foundation. (Grant CMMI-13516

Mixed Integer Linear Programming Formulation Techniques

A wide range of problems can be modeled as Mixed Integer Linear Programming (MIP) problems using standard formulation techniques. However, in some cases the resulting MIP can be either too weak or too large to be effectively solved by state of the art solvers. In this survey we review advanced MIP formulation techniques that result in stronger and/or smaller formulations for a wide class of problems