Branch-and-Sandwich: a deterministic global optimization algorithm for optimistic bilevel programming problems. Part I: Theoretical development

We present a global optimization algorithm, Branch-and-Sandwich, for optimistic bilevel programming problems that satisfy a regularity condition in the inner problem. The functions involved are assumed to be nonconvex and twice continuously differentiable. The proposed approach can be interpreted as the exploration of two solution spaces (corresponding to the inner and the outer problems) using a single branch-and-bound tree. A novel branching scheme is developed such that classical branch-and-bound is applied to both spaces without violating the hierarchy in the decisions and the requirement for (global) optimality in the inner problem. To achieve this, the well-known features of branch-and-bound algorithms are customized appropriately. For instance, two pairs of lower and upper bounds are computed: one for the outer optimal objective value and the other for the inner value function. The proposed bounding problems do not grow in size during the algorithm and are obtained from the corresponding problems at the parent node.     

Global optimization of bounded factorable functions with discontinuities

A deterministic global optimization method is developed for a class of discontinuous functions. McCormick’s method to obtain relaxations of nonconvex functions is extended to discontinuous factorable functions by representing a discontinuity with a step function. The properties of the relaxations are analyzed in detail; in particular, convergence of the relaxations to the function is established given some assumptions on the bounds derived from interval arithmetic. The obtained convex relaxations are used in a branch-and-bound scheme to formulate lower bounding problems. Furthermore, convergence of the branch-and-bound algorithm for discontinuous functions is analyzed and assumptions are derived to guarantee convergence. A key advantage of the proposed method over reformulating the discontinuous problem as a MINLP or MPEC is avoiding the increase in problem size that slows global optimization. Several numerical examples for the global optimization of functions with discontinuities are presented, including ones taken from process design and equipment sizing as well as discrete-time hybrid systems.     

Theoretical rate of convergence for interval inclusion functions

Geometric branch-and-bound methods are commonly used solution algorithms for non-convex global optimization problems in small dimensions, say for problems with up to six or ten variables, and the efficiency of these methods depends on some required lower bounds. For example, in interval branch-and-bound methods various well-known lower bounds are derived from interval inclusion functions. The aim of this work is to analyze the quality of interval inclusion functions from the theoretical point of view making use of a recently introduced and general definition of the rate of convergence in geometric branch-and-bound methods. In particular, we compare the natural interval extension, the centered form, and Baumann’s inclusion function. Furthermore, our theoretical findings are justified by detailed numerical studies using the Weber problem on the plane with some negative weights as well as some standard global optimization benchmark problems.     

A Global Optimization Algorithm using Lagrangian Underestimates and the Interval Newton Method

Convex relaxations can be used to obtain lower bounds on the optimal objective function value of nonconvex quadratically constrained quadratic programs. However, for some problems, significantly better bounds can be obtained by minimizing the restricted Lagrangian function for a given estimate of the Lagrange multipliers. The difficulty in utilizing Lagrangian duality within a global optimization context is that the restricted Lagrangian is often nonconvex. Minimizing a convex underestimate of the restricted Lagrangian overcomes this difficulty and facilitates the use of Lagrangian duality within a global optimization framework. A branch-and-bound algorithm is presented that relies on these Lagrangian underestimates to provide lower bounds and on the interval Newton method to facilitate convergence in the neighborhood of the global solution. Computational results show that the algorithm compares favorably to the Reformulation–Linearization Technique for problems with a favorable structure.     

Nonsmooth exclusion test for finding all solutions of nonlinear equations

A new approach is proposed for finding all real solutions of systems of nonlinear equations with bound constraints. The zero finding problem is converted to a global optimization problem whose global minima with zero objective value, if any, correspond to all solutions of the original problem. A branch-and-bound algorithm is used with McCormick’s nonsmooth convex relaxations to generate lower bounds. An inclusion relation between the solution set of the relaxed problem and that of the original nonconvex problem is established which motivates a method to generate automatically, starting points for a local Newton-type method. A damped-Newton method with natural level functions employing the restrictive monotonicity test is employed to find solutions robustly and rapidly. Due to the special structure of the objective function, the solution of the convex lower bounding problem yields a nonsmooth root exclusion test which is found to perform better than earlier interval-analysis based exclusion tests. Both the componentwise Krawczyk operator and interval-Newton operator with Gauss-Seidel based root inclusion and exclusion tests are also embedded in the proposed algorithm to refine the variable bounds for efficient fathoming of the search space. The performance of the algorithm on a variety of test problems from the literature is presented, and for most of them, the first solution is found at the first iteration of the algorithm due to the good starting point generation.     

Duality Bound Method for the General Quadratic Programming Problem with Quadratic Constraints

The purpose of this article is to develop a branch-and-bound algorithm using duality bounds for the general quadratically-constrained quadratic programming problem and having the following properties: (i) duality bounds are computed by solving ordinary linear programs; (ii) they are at least as good as the lower bounds obtained by solving relaxed problems, in which each nonconvex function is replaced by its convex envelope; (iii) standard convergence properties of branch-and-bound algorithms for nonconvex global optimization problems are guaranteed. Numerical results of preliminary computational experiments for the case of one quadratic constraint are reported.     

带准备时间的单机指数时间学习效应排序问题

研究带有准备时间的单机学习效应模型,其中工件加工时间具有指数时间学习效应,即工件的实际加工时间是已经排好的工件加工时间的指数函数。学习效应模型考虑工件的实际加工时间同时依赖于工件本身的加工时间和已加工工件的累计加工时间,目标函数为最小化总完工时间。这个问题是NP-难的,提出了一个数学规划模型来求解该问题的最优解。通过分析几个优势性质和下界,提出分支定界算法来求解此问题,并设计启发式算法改进分支定界算法的上界值。通过仿真实验验证了分支定界算法在求解质量和时间方面的有效性。     

Dual Bounds and Optimality Cuts for All-Quadratic Programs with Convex Constraints

A central problem of branch-and-bound methods for global optimization is that often a lower bound do not match with the optimal value of the corresponding subproblem even if the diameter of the partition set shrinks to zero. This can lead to a large number of subdivisions preventing the method from terminating in reasonable time. For the all-quadratic optimization problem with convex constraints we present optimality cuts which cut off a given local minimizer from the feasible set. We propose a branch-and-bound algorithm using optimality cuts which is finite if all global minimizers fulfill a certain second order optimality condition. The optimality cuts are based on the formulation of a dual problem where additional redundant constraints are added. This technique is also used for constructing tight lower bounds. Moreover we present for the box-constrained and the standard quadratic programming problem dual bounds which have under certain conditions a zero duality gap.     

求不定二次规划全局解的一个新算法

本文提出了一个求不定二次规划问题全局最优解的新算法.首先,给出了三种计算下界的方法:线性逼近法、凸松弛法和拉格朗日松弛法;并且证明了拉格朗日对偶界与通过凸松弛得到的下界是相等的;然后建立了基于拉格朗日对偶界和矩形两分法的分枝定界算法,并给出了初步的数值试验结果.     

The theoretical and empirical rate of convergence for geometric branch-and-bound methods

Geometric branch-and-bound solution methods, in particular the big square small square technique and its many generalizations, are popular solution approaches for non-convex global optimization problems. Most of these approaches differ in the lower bounds they use which have been compared empirically in a few studies. The aim of this paper is to introduce a general convergence theory which allows theoretical results about the different bounds used. To this end we introduce the concept of a bounding operation and propose a new definition of the rate of convergence for geometric branch-and-bound methods. We discuss the rate of convergence for some well-known bounding operations as well as for a new general bounding operation with an arbitrary rate of convergence. This comparison is done from a theoretical point of view. The results we present are justified by some numerical experiments using the Weber problem on the plane with some negative weights.     

A Rigorous Global Optimization Algorithm for Problems with Ordinary Differential Equations

The optimization of systems which are described by ordinary differential equations (ODEs) is often complicated by the presence of nonconvexities. A deterministic spatial branch and bound global optimization algorithm is presented in this paper for systems with ODEs in the constraints. Upper bounds for the global optimum are produced using the sequential approach for the solution of the dynamic optimization problem. The required convex relaxation of the algebraic functions is carried out using well-known global optimization techniques. A convex relaxation of the time dependent information is obtained using the concept of differential inequalities in order to construct bounds on the space of solutions of parameter dependent ODEs as well as on their second-order sensitivities. This information is then incorporated in the convex lower bounding NLP problem. The global optimization algorithm is illustrated by applying it to four case studies. These include parameter estimation problems and simple optimal control problems. The application of different underestimation schemes and branching strategies is discussed.     

Global minimum potential energy conformations of small molecules

A global optimization algorithm is proposed for finding the global minimum potential energy conformations of small molecules. The minimization of the total potential energy is formulated on an independent set of internal coordinates involving only torsion (dihedral) angles. Analytical expressions for the Euclidean distances between non-bonded atoms, which are required for evaluating the individual pairwise potential terms, are obtained as functions of bond lengths, covalent bond angles, and torsion angles. A novel procedure for deriving convex lower bounding functions for the total potential energy function is also introduced. These underestimating functions satisfy a number of important theoretical properties. A global optimization algorithm is then proposed based on an efficient partitioning strategy which is guaranteed to attain -convergence to the global minimum potential energy configuration of a molecule through the solution of a series of nonlinear convex optimization problems. Moreover, lower and upper bounds on the total finite number of required iterations are also provided. Finally, this global optimization approach is illustrated with a number of example problems.     

Convergence and Application of a Decomposition Method Using Duality Bounds for Nonconvex Global Optimization

The subject of this article is a class of global optimization problems, in which the variables can be divided into two groups such that, in each group, the functions involved have the same structure (e.g. linear, convex or concave, etc.). Based on the decomposition idea of Benders (Ref. 1), a corresponding master problem is defined on the space of one of the two groups of variables. The objective function of this master problem is in fact the optimal value function of a nonlinear parametric optimization problem. To solve the resulting master problem, a branch-and-bound scheme is proposed, in which the estimation of the lower bounds is performed by applying the well-known weak duality theorem in Lagrange duality. The results of this article concentrate on two subjects: investigating the convergence of the general algorithm and solving dual problems of some special classes of nonconvex optimization problems. Based on results in sensitivity and stability theory and in parametric optimization, conditions for the convergence are established by investigating the so-called dual properness property and the upper semicontinuity of the objective function of the master problem. The general algorithm is then discussed in detail for some nonconvex problems including concave minimization problems with a special structure, general quadratic problems, optimization problems on the efficient set, and linear multiplicative programming problems.     

A Complementarity-based Partitioning and Disjunctive Cut Algorithm for Mathematical Programming Problems with Equilibrium Constraints

In this paper a branch-and-bound algorithm is proposed for finding a global minimum to a Mathematical Programming Problem with Complementarity (or Equilibrium) Constraints (MPECs), which incorporates disjunctive cuts for computing lower bounds and employs a Complementarity Active-Set Algorithm for computing upper bounds. Computational results for solving MPECs associated with Bilivel Problems, NP-hard Linear Complementarity Problems, and Hinge Fitting Problems are presented to highlight the efficacy of the procedure in determining a global minimum for different classes of MPECs.     

Application of an optimization problem in Max-Plus algebra to scheduling problems

The problem tackled in this paper deals with products of a finite number of triangular matrices in Max-Plus algebra, and more precisely with an optimization problem related to the product order. We propose a polynomial time optimization algorithm for 2×2 matrices products. We show that the problem under consideration generalizes numerous scheduling problems, like single machine problems or two-machine flow shop problems. Then, we show that for 3×3 matrices, the problem is NP-hard and we propose a branch-and-bound algorithm, lower bounds and upper bounds to solve it. We show that an important number of results in the literature can be obtained by solving the presented problem, which is a generalization of single machine problems, two- and three-machine flow shop scheduling problems. The branch-and-bound algorithm is tested in the general case and for a particular case and some computational experiments are presented and discussed.     

A Global Optimization Approach to a Water Distribution Network Design Problem

In this paper, we address a global optimization approach to a waterdistribution network design problem. Traditionally, a variety of localoptimization schemes have been developed for such problems, each new methoddiscovering improved solutions for some standard test problems, with noknown lower bound to test the quality of the solutions obtained. A notableexception is a recent paper by Eiger et al. (1994) who present a firstglobal optimization approach for a loop and path-based formulation of thisproblem, using a semi-infinite linear program to derive lower bounds. Incontrast, we employ an arc-based formulation that is linear except forcertain complicating head-loss constraints and develop a first globaloptimization scheme for this model. Our lower bounds are derived through thedesign of a suitable Reformulation-Linearization Technique (RLT) thatconstructs a tight linear programming relaxation for the given problem, andthis is embedded within a branch-and-bound algorithm. Convergence to anoptimal solution is induced by coordinating this process with an appropriatepartitioning scheme. Some preliminary computational experience is providedon two versions of a particular standard test problem for the literature forwhich an even further improved solution is discovered, but one that isverified for the first time to be an optimum, without any assumed boundson the flows. Two other variants of this problem are also solved exactly forillustrative purposes and to provide researchers with additional test caseshaving known optimal solutions. Suggestions on a more elaborate study involving several algorithmic enhancements are presented for futureresearch.     

A branch-reduce-cut algorithm for the global optimization of probabilistically constrained linear programs

We consider probabilistically constrained linear programs with general distributions for the uncertain parameters. These problems involve non-convex feasible sets. We develop a branch-and-bound algorithm that searches for a global optimal solution to this problem by successively partitioning the non-convex feasible region and by using bounds on the objective function to fathom inferior partition elements. This basic algorithm is enhanced by domain reduction and cutting plane strategies to reduce the size of the partition elements and hence tighten bounds. The proposed branch-reduce-cut algorithm exploits the monotonicity properties inherent in the problem, and requires solving linear programming subproblems. We provide convergence proofs for the algorithm. Some illustrative numerical results involving problems with discrete distributions are presented.     

Solving the generalized minimum spanning tree problem by a branch-and-bound algorithm

We present an exact algorithm for solving the generalized minimum spanning tree problem (GMST). Given an undirected connected graph and a partition of the graph vertices, this problem requires finding a least-cost subgraph spanning at least one vertex out of every subset. In this paper, the GMST is formulated as a minimum spanning tree problem with side constraints and solved exactly by a branch-and-bound algorithm. Lower bounds are derived by relaxing, in a Lagrangian fashion, complicating constraints to yield a modified minimum cost spanning tree problem. An efficient preprocessing algorithm is implemented to reduce the size of the problem. Computational tests on a large set of randomly generated instances with as many as 250 vertices, 1000 edges, and 25 subsets provide evidence that the proposed solution approach is very effective.     

A reformulation framework for global optimization

In this paper, we present a global optimization method for solving nonconvex mixed integer nonlinear programming (MINLP) problems. A convex overestimation of the feasible region is obtained by replacing the nonconvex constraint functions with convex underestimators. For signomial functions single-variable power and exponential transformations are used to obtain the convex underestimators. For more general nonconvex functions two versions of the so-called αBB-underestimator, valid for twice-differentiable functions, are integrated in the actual reformulation framework. However, in contrast to what is done in branch-and-bound type algorithms, no direct branching is performed in the actual algorithm. Instead a piecewise convex reformulation is used to convexify the entire problem in an extended variable-space, and the reformulated problem is then solved by a convex MINLP solver. As the piecewise linear approximations are made finer, the solution to the convexified and overestimated problem will form a converging sequence towards a global optimal solution. The result is an easily-implementable algorithm for solving a very general class of optimization problems.     

Optimal Multisections in Interval Branch-and-Bound Methods of Global Optimization

In this paper we define multisections of intervals that yield sharp lower bounds in branch-and-bound type methods for interval global optimization. A so called 'generalized kite', defined for differentiable univariate functions, is built simultaneously with linear boundary forms and suitably chosen centered forms. Proofs for existence and uniqueness of optimal cuts are given. The method described may be used either as an accelerating device or in a global optimization algorithm with an efficient pruning effect. A more general principle for decomposition of boxes is suggested.