A quantum annealer heuristically minimizes quadratic unconstrained binary optimization (QUBO) problems, but is limited by the physical hardware in the size and density of the problems it can handle. We have developed a meta-heuristic solver that utilizes D-Wave Systems' quantum annealer (or any other QUBO problem optimizer) to solve larger or denser problems, by iteratively solving subproblems, while keeping the rest of the variables fixed. We present our algorithm, several variants, and the results for the optimization of standard QUBO problem instances from OR-Library of sizes 500 and 2500 as well as the Palubeckis instances of sizes 3000 to 7000. For practical use of the solver, we show the dependence of the time to best solution on the desired gap to the best known solution. In addition, we study the dependence of the gap and the time to best solution on the size of the problems solved by the underlying optimizer.Comment: 21 pages, 4 figures; minor edit

Discovering the low-energy conformations of a molecule is of great interest to computational chemists, with applications in in silico materials design and drug discovery. In this paper, we propose a variable neighbourhood search heuristic for the conformational search problem. Using the structure of a molecule, neighbourhoods are chosen to allow for the efficient use of a binary quadratic optimizer for conformational search. The method is flexible with respect to the choice of molecular force field and the number of discretization levels in the search space, and can be further generalized to take advantage of higher-order binary polynomial optimizers. It is well-suited for the use of devices such as quantum annealers. After carefully defining neighbourhoods, the method easily adapts to the size and topology of these devices, allowing for seamless scaling alongside their future improvements.

Quantum adiabatic evolution is perceived as useful for binary quadratic programming problems that are a priori unconstrained. For constrained problems, it is a common practice to relax linear equality constraints as penalty terms in the objective function. However, there has not yet been proposed a method for efficiently dealing with inequality constraints using the quantum adiabatic approach. In this paper, we give a method for solving the Lagrangian dual of a binary quadratic programming (BQP) problem in the presence of inequality constraints and employ this procedure within a branch-and-bound framework for constrained BQP (CBQP) problems.

Quantum adiabatic evolution is perceived as useful for binary quadratic programming problems that are a priori unconstrained. For constrained problems, it is a common practice to relax linear equality constraints as penalty terms in the objective function. However, there has not yet been proposed a method for efficiently dealing with inequality constraints using the quantum adiabatic approach. In this paper, we give a method for solving the Lagrangian dual of a binary quadratic programming (BQP) problem in the presence of inequality constraints and employ this procedure within a branch-and-bound framework for constrained BQP (CBQP) problems.

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