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Genetic and Evolutionary Computation Conference Companion (GECCO Companion)

Techniques to enhance a QUBO solver for permutation-based combinatorial optimization

Siong Thye Goh, Jianyuan Bo, Sabrish Gopalakrishnan, Hoong Chuin Lau

Published Jul 9, 2022• 10 citations
Publisher

Abstract

Many combinatorial optimization problems can be formulated as a problem to determine the order of sequence or to find a corresponding mapping of the objects. We call such problems permutation-based optimization problems. Many such problems can be formulated as a quadratic unconstrained binary optimization (QUBO) or Ising model by introducing a penalty coefficient to the permutation constraint terms. While classical and quantum annealing approaches have been proposed to solve QUBOs to date, they face issues with optimality and feasibility. Here we treat a given QUBO solver as a black box and propose techniques to enhance its performance. First, to ensure an effective search for good quality solutions, a smooth energy landscape is needed; we propose a data scaling approach that reduces the amplitudes of the input without compromising optimality. Second, we need to tune the penalty coefficient. In this paper, we illustrate that for certain problems, it suffices to tune the parameter by performing random sampling on the penalty coefficients to achieve good performance. Finally, to handle possible infeasibility of the solution, we introduce a polynomial-time projection algorithm. We apply these techniques along with a divide-and-conquer strategy to solve some large-scale permutation-based problems and present results for TSP and QAP.

DOI
10.1145/3520304.3533982

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Many combinatorial optimization problems can be formulated as a problem to determine the order of sequence or to find a corresponding mapping of the objects. We call such problems permutation-based optimization problems. Many such problems can be formulated as a quadratic unconstrained binary optimization (QUBO) or Ising model by introducing a penalty coefficient to the permutation constraint terms. While classical and quantum annealing approaches have been proposed to solve QUBOs to date, they face issues with optimality and feasibility. Here we treat a given QUBO solver as a black box and propose techniques to enhance its performance. First, to ensure an effective search for good quality solutions, a smooth energy landscape is needed; we propose a data scaling approach that reduces the amplitudes of the input without compromising optimality. Second, we need to tune the penalty coefficient. In this paper, we illustrate that for certain problems, it suffices to tune the parameter by performing random sampling on the penalty coefficients to achieve good performance. Finally, to handle possible infeasibility of the solution, we introduce a polynomial-time projection algorithm. We apply these techniques along with a divide-and-conquer strategy to solve some large-scale permutation-based problems and present results for TSP and QAP.
In this paper, we propose a hybrid framework to solve large-scale permutation-based combinatorial problems effectively using a high-performance quadratic unconstrained binary optimization (QUBO) solver. To do so, transformations are required to change a constrained optimization model to an unconstrained model that involves parameter tuning. We propose techniques to overcome the challenges in using a QUBO solver that typically comes with limited numbers of bits. First, to smooth the energy landscape, we reduce the magnitudes of the input without compromising optimality. We propose a machine learning approach to tune the parameters for good performance effectively. To handle possible infeasibility, we introduce a polynomial-time projection algorithm. Finally, to solve large-scale problems, we introduce a divide-and-conquer approach that calls the QUBO solver repeatedly on small sub-problems. We tested our approach on provably hard Euclidean Traveling Salesman (E-TSP) instances and Flow Shop Problem (FSP). Optimality gap that is less than 10%10\%10% and 11%11\%11% are obtained respectively compared to the best-known approach.
Ising machines have attracted much attention in recent years because of their potential in solving combinatorial optimization problems that are difficult to be solved using conventional computers. Ising machines solve the optimization problem that can be transformed into a quadratic unconstrained binary optimization (QUBO) problem. In the case of a problem with constraints, named a constraint problem, an objective function and constraint function with penalty coefficients are combined into a single Hamiltonian of a QUBO problem. When solving a constraint problem, the accuracy of the solution decreases compared to a QUBO problem with an objective function only. This is because penalty coefficients are set to excessively large values to prevent constraint violations. As a result, it becomes difficult to minimize the objective function. To solve this problem, this paper proposes a method that partitions constraint functions and reduces the value of the penalty coefficients. The performance evaluation using the traveling salesperson problem (TSP) with one-hot constraints demonstrates that the proposed method can improve the solution accuracy compared to the conventional method.
A popular method for solving a constrained combinatorial optimisation problem is to first convert it into a quadratic unconstrained binary optimisation (QUBO) problem, and solve it using a standard QUBO solver. However, this relaxation introduces hyper-parameters that balance the objective and penalty terms for the constraints, and their chosen values significantly impact performance. Hence, hyper-parameters tuning is important. Existing generic hyper-parameter tuning methods require multiple expensive calls to a QUBO solver, making them inefficient for performance critical applications when repeated solutions of similar combinatorial optimisation problems are required. In this paper, we propose the QROSS method, in which we build surrogate models of QUBO solvers via learning from solver data on a collection of instances of a problem. In this way, we are able capture the common structure of the instances and their interactions with the solver, and produce promising hyper-parameters with fewer calls to the QUBO solver. We take the Traveling Salesman Problem (TSP) as a case study, where we demonstrate QROSS finds better solutions with fewer calls to QUBO solver, compared with conventional hyper-parameter tuning techniques. Moreover, with simple adaptation methods, QROSS is shown to generalise well to out-of-distribution datasets and different types of QUBO solvers.
Ising machines are next-generation computers expected to efficiently sample near-optimal solutions of combinatorial optimization problems. Combinatorial optimization problems are modeled as quadratic unconstrained binary optimization (QUBO) problems to apply an Ising machine. However, current state-of-the-art Ising machines still often fail to output nearoptimal solutions due to the complicated energy landscape of QUBO problems. Furthermore, the physical implementation of Ising machines severely restricts the size of QUBO problems to be input as a result of limited hardware graph structures. In this study, we take a new approach to these challenges by injecting auxiliary penalties preserving the optimum, which reduces quadratic terms in QUBO objective functions. The process simultaneously simplifies the energy landscape of QUBO problems, allowing the search for near-optimal solutions, and makes QUBO problems sparser, facilitating encoding into Ising machines with restriction on the hardware graph structure. We propose linearization of QUBO problems using variable posets as an outcome of the approach. By applying the proposed method to synthetic QUBO instances and to multi-dimensional knapsack problems, we empirically validate the effects on enhancing minorembedding of QUBO problems and the performance of Ising machines.
Quantum and quantum-inspired optimisation algorithms are designed to solve problems represented in binary, quadratic and unconstrained form. Combinatorial optimisation problems are therefore often formulated as Quadratic Unconstrained Binary Optimisation Problems (QUBO) to solve them with these algorithms. Moreover, these QUBO solvers are often implemented using specialised hardware to achieve enormous speedups, e.g. Fujitsu's Digital Annealer (DA) and D-Wave's Quantum Annealer. However, these are single-objective solvers, while many real-world problems feature multiple conflicting objectives. Thus, a common practice when using these QUBO solvers is to scalarise such multi-objective problems into a sequence of single-objective problems. Due to design trade-offs of these solvers, formulating each scalarisation may require more time than finding a local optimum. We present the first attempt to extend the algorithm supporting a commercial QUBO solver as a multi-objective solver that is not based on scalarisation. The proposed multi-objective DA algorithm is validated on the bi-objective Quadratic Assignment Problem. We observe that algorithm performance significantly depends on the archiving strategy adopted, and that combining DA with non-scalarisation methods to optimise multiple objectives outperforms the current scalarised version of the DA in terms of final solution quality.
Quantum computing approaches, such as Quantum Annealing (QA) and the Quantum Approximate Optimization Algorithm (QAOA), have emerged as promising candidates for solving combinatorial optimization problems. Since these approaches typically work with Quadratic Unconstrained Binary Optimization (QUBO) problems, constraints, when present, are commonly encoded as penalty terms. Conventional approaches to incorporate inequality constraints into QUBO formulations additionally require the introduction of slack variables, increasing the required number of qubits. The Knapsack and Bin Packing problems are optimization problems with such inequality constraints. We show that the number of slack variables required to formulate the Knapsack problem as a QUBO problem can be reduced using certain properties specific to this problem. Moreover, we present two separate strategies for the Knapsack and Bin Packing problems that avoid using the costly slack variables altogether. Instead, both strategies solve several QUBO problems, with varying penalty constants, such that at least one of them is a good representation of the given optimization problem. Numerical simulations of QAOA, as well as experiments on a D-Wave quantum annealer, show that these slack-less approaches can improve performance compared to the conventional slack variable method (in terms of success probability), even when the latter is allowed to vary penalty constants too.