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SN Computer Science

A New QUBO Objective Function for Solving the Maximum Common Subgraph Isomorphism Problem Via Quantum Annealing

Nan Huang, Dominik Roje

Published Mar 31, 2021• 3 citations
Publisher
DOI
10.1007/s42979-020-00431-5

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Quantum Approximate Optimization Algorithm (QAOA) and Quantum Annealing are prominent approaches for solving combinatorial optimization problems, such as those formulated as Quadratic Unconstrained Binary Optimization (QUBO). These algorithms aim to minimize the objective function xTQxx^T Q xxTQx, where QQQ is a QUBO matrix. However, the number of two-qubit CNOT gates in QAOA circuits and the complexity of problem embeddings in Quantum Annealing scale linearly with the number of non-zero couplings in QQQ, contributing to significant computational and error-related challenges. To address this, we introduce the concept of \textit{semi-symmetries} in QUBO matrices and propose an algorithm for identifying and factoring these symmetries into ancilla qubits. \textit{Semi-symmetries} frequently arise in optimization problems such as \textit{Maximum Clique}, \textit{Hamilton Cycles}, \textit{Graph Coloring}, and \textit{Graph Isomorphism}. We theoretically demonstrate that the modified QUBO matrix QmodQ_{\text{mod}}Qmod​ retains the same energy spectrum as the original QQQ. Experimental evaluations on the aforementioned problems show that our algorithm reduces the number of couplings and QAOA circuit depth by up to 45%45\%45%. For Quantum Annealing, these reductions also lead to sparser problem embeddings, shorter qubit chains and better performance. This work highlights the utility of exploiting QUBO matrix structure to optimize quantum algorithms, advancing their scalability and practical applicability to real-world combinatorial problems.
Quantum annealers such as the commercially available D-Wave machines are designed to natively solve quadratic unconstrained binary optimization (QUBO) problems. While most of the well-known NP-hard optimization problems can easily be formulated as quadratic binary problems, such formulations also contain constraints, which commonly are added to the objective function in the form of penalties to obtain a QUBO version. However, the standard method for defining such penalties leads to QUBOs that are dense and therefore take too much of the resources of the quantum annealer. In this paper, we describe an alternative approach to the constraint embedding problem that uses mixed-integer linear programming (MILP) and is scalable to problems of arbitrary number of variables.