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New algorithms for Quadratic Unconstrained Binary Optimization (QUBO) with applications in engineering and social sciences

Tavares, Gabriel

Published Jan 1, 2008• 7 citations
Publisher

Abstract

This dissertation investigates the Quadratic Unconstrained Binary Optimization (QUBO) problem, i.e. the problem of minimizing a quadratic function in binary variables. QUBO is studied at two complementary levels. First, there is an algorithmic aspect that tells how to preprocess the problem, how to find heuristics, how to get improved bounds and how to solve the problem with all the above ingredients.Second, there is a practical aspect that uses QUBO to solve various applications from the engineering and social sciences fields including: via minimization, 2D/3D Ising models, 1D Ising chain models, image binarization, hierarchical clustering, greedy graph coloring/partitioning, MAX-2-SAT, MIN-VC, MAX-CLIQUE, MAX-CUT, graph stability and minimum k-partition.Several families of fast heuristics for QUBO are analyzed, which include a novel probabilistic based class of methods.It is shown that there is a unique maximal set of persistencies for the linearization model for QUBO.This set is determined in polynomial time by a maximum flow followed by the computation of the strong components of a network that has 2n+2 nodes, where n is the number of variables. The identification of the above persistencies leads to a unique decomposition of the function, such that each component can be optimized separately. To find further persistencies, two additional techniques are proposed: one is based on the second order derivatives of Hammer et al. [HH81]; the other technique is a probing procedure on the two possible values of the variables.These preprocessing tools work remarkably well for certain classes of problems.We improved the Iterated Roof-Dual bound (IRD) of [BH89] by proposing two combinatorial methods: one was named the squeezed IRD; and the second was called the project-and-lift IRD method.The cubic-dual bound can be found by means of linear programming by adding a set of triangle inequalities to the standard linearization, whose number is cubic in the number of variables. We show that this set can be reduced depending on the coefficients of the terms of the function. This leads to the possibility of computing the cubic-duals of larger QUBOs.

DOI
10.7282/t3xk8fs2

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This dissertation investigates the Quadratic Unconstrained Binary Optimization (QUBO) problem, i.e. the problem of minimizing a quadratic function in binary variables. QUBO is studied at two complementary levels. First, there is an algorithmic aspect that tells how to preprocess the problem, how to find heuristics, how to get improved bounds and how to solve the problem with all the above ingredients.Second, there is a practical aspect that uses QUBO to solve various applications from the engineering and social sciences fields including: via minimization, 2D/3D Ising models, 1D Ising chain models, image binarization, hierarchical clustering, greedy graph coloring/partitioning, MAX-2-SAT, MIN-VC, MAX-CLIQUE, MAX-CUT, graph stability and minimum k-partition.Several families of fast heuristics for QUBO are analyzed, which include a novel probabilistic based class of methods.It is shown that there is a unique maximal set of persistencies for the linearization model for QUBO.This set is determined in polynomial time by a maximum flow followed by the computation of the strong components of a network that has 2n+2 nodes, where n is the number of variables. The identification of the above persistencies leads to a unique decomposition of the function, such that each component can be optimized separately. To find further persistencies, two additional techniques are proposed: one is based on the second order derivatives of Hammer et al. [HH81]; the other technique is a probing procedure on the two possible values of the variables.These preprocessing tools work remarkably well for certain classes of problems.We improved the Iterated Roof-Dual bound (IRD) of [BH89] by proposing two combinatorial methods: one was named the squeezed IRD; and the second was called the project-and-lift IRD method.The cubic-dual bound can be found by means of linear programming by adding a set of triangle inequalities to the standard linearization, whose number is cubic in the number of variables. We show that this set can be reduced depending on the coefficients of the terms of the function. This leads to the possibility of computing the cubic-duals of larger QUBOs.
We propose several efficient preprocessing techniques for Unconstrained Quadratic Binary Optimization (QUBO), including the direct use of enhanced versions of known basic techniques (e.g., implications derived from first and second order derivatives and from roof–duality), and the integrated use (e.g., by probing and by consensus) of the basic techniques. The application of these techniques is implemented using a natural network flow model of QUBO. The use of the proposed preprocessing techniques provides: (i) a lower bound of the minimum of the objective function, (ii) the values of some of the variables in some or every optimum, (iii) binary relations (equations, inequalities, or non-equalities) between the values of certain pairs of variables in some or every optimum, and (iv) the decomposition (if possible) of the original problem into several smaller pairwise independent QUBO problems. Extensive computational experience showing the efficiency of the proposed techniques is presented. Substantial problem simplifications, improving considerably the existing techniques, are demonstrated on benchmark problems as well as on randomly generated ones. In particular, it is shown that 100% data reduction is achieved using the proposed preprocessing techniques for MAX-CUT graphs derived from VLSI design, MAX-Clique in c-fat graphs derived from fault diagnosis, and minimum vertex cover problems in random planar graphs of up to 500 000 vertices. Acknowledgements: The third author was partially financially supported by the Portuguese FCT and by the FSE in the context of the III Quadro Comunitario de Apoio.
Quadratic Unconstrained Binary Optimization (QUBO) is a broad class of optimization problems with many practical applications. To solve its hard instances in an exact way, known classical algorithms require exponential time and several approximate methods have been devised to reduce such cost. With the growing maturity of quantum computing, quantum algorithms have been proposed to speed up the solution by using either quantum annealers or universal quantum computers. Here we apply the divide-and-conquer approach to reduce the original problem to a collection of smaller problems whose solutions can be assembled to form a single Polynomial Binary Unconstrained Optimization instance with fewer variables. This technique can be applied to any QUBO instance and leads to either an all-classical or a hybrid quantum-classical approach. When quantum heuristics like the Quantum Approximate Optimization Algorithm (QAOA) are used, our proposal leads to a double advantage: a substantial reduction of quantum resources, specifically an average of ~42% fewer qubits to solve MaxCut on random 3-regular graphs, together with an improvement in the quality of the approximate solutions reached.
To solve combinatorial optimization problems more easily, it can be valuable to identify a set of necessary or sufficient conditions that an optimal solution of the problem must satisfy. For instance, weak and strong duality conditions in linear programming support the development of the well-known optimization algorithms for these problems. Similarly, the Karush–Kuhn–Tucker conditions give necessary and sufficient conditions for optimality in convex quadratic programming that underlie the development of optimization algorithms in this domain. Although such continuous conditions do not exist for integer programming, some necessary conditions can be derived from Karush–Kuhn–Tucker conditions for the Quadratic Unconstrained Binary Optimization (QUBO) problem. We present these conditions and show how they lead to a derivation of well-known criteria for fixing the values of single variables in the QUBO problem. From this, we show how to generalize these criteria to fix a product of any number of p (integer) literals, which also may be viewed as a generalization of the persistency notion, consisting of clauses of a Constraint Satisfaction Problem that the optimal solution must satisfy. We then couple our list of persistencies with state-of-the-art rules not covered by our approach. The resulting integrated set of conditions for fixing values of variables is tested in computational experiments on instances from standard databases available in the literature, showing that we can fix more variables and reduce problems more fully than previous approaches.
Quadratic Unconstrained Binary Optimization (QUBO) models are defined by quadratic expressions composed of binary variables, each taking a value of either 0 or 1. The objective of the QUBO problem is to find an optimal assignment of these binary variables that minimizes the value of the QUBO model. The QUBO problem has attracted significant research interest due to its versatility in reformulating various NP-complete problems and its potential for efficiently finding heuristic solutions through quantum annealing. This paper focuses on converting Cubic Unconstrained Binary Optimization (CUBO) problems, defined by cubic expressions, into equivalent QUBO models. Through this conversion, CUBO problems can be solved using quantum annealing. Since the important NP-hard problem 3-SAT can be straightforwardly represented as a CUBO problem, investigating the conversion from CUBO to QUBO models is a meaningful endeavor.
The quadratic unconstrained binary optimization (QUBO) problem arises in diverse optimization applications ranging from Ising spin problems to classical problems in graph theory and binary discrete optimization. The use of preprocessing to transform the graph representing the QUBO problem into a smaller equivalent graph is important for improving solution quality and time for both exact and metaheuristic algorithms and is a step towards mapping large scale QUBO to hardware graphs used in quantum annealing computers. In an earlier paper (Lewis and Glover, 2016) a set of rules was introduced that achieved significant QUBO reductions as verified through computational testing. Here this work is extended with additional rules that provide further reductions that succeed in exactly solving 10% of the benchmark QUBO problems. An algorithm and associated data structures to efficiently implement the entire set of rules is detailed and computational experiments are reported that demonstrate their efficacy.
The unconstrained binary quadratic programming problem (QP) is a classical non-linear problem of optimizing a quadratic objective by a suitable choice of binary decision variables. This paper proposes new Lagrangean decompositions to find bounds for QP. The methods presented treat a mixed binary linear version (LQP) of QP with constraints represented by a graph. This graph is partitioned into clusters of vertices forming a dual problem that is solved by a subgradient algorithm. The subproblems formed by the generated subgraphs are solved by CPLEX. Computational experiments consider a data set formed by several difficult instances with different features. The results show the efficiency of the proposed methods over traditional Lagrangean relaxations and other methods found in the literature.