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arXiv:2412.17841 · International Conference on Agents and Artificial Intelligence (ICAART)

Reducing QUBO Density by Factoring out Semi-Symmetries

Jonas Nüßlein, Leo Sünkel, Jonas Stein, Tobias Rohe, Daniëlle Schuman, Sebastian Feld, Corey O’Meara, G. Cortiana, Claudia Linnhoff–Popien

Published Jan 1, 2025• 1 citation
arXivHTMLPDF

Abstract

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 $x^T Q x$, where $Q$ 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 $Q$, 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 $Q_{\text{mod}}$ retains the same energy spectrum as the original $Q$. Experimental evaluations on the aforementioned problems show that our algorithm reduces the number of couplings and QAOA circuit depth by up to $45\%$. 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.

DOI
10.5220/0013395900003890

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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.
QAOA is a quantum algorithm for solving combinatorial optimization problems. It is capable of searching for the minimizing solution vector xxx of a QUBO problem xTQxx^TQxxTQx. The number of two-qubit CNOT gates in the QAOA circuit scales linearly in the number of non-zero couplings of QQQ and the depth of the circuit scales accordingly. Since CNOT operations have high error rates it is crucial to develop algorithms for reducing their number. We, therefore, present the concept of \textit{semi-symmetries} in QUBO matrices and an algorithm for identifying and factoring them out into ancilla qubits. \textit{Semi-symmetries} are prevalent in QUBO matrices of many well-known optimization problems like \textit{Maximum Clique}, \textit{Hamilton Cycles}, \textit{Graph Coloring}, \textit{Vertex Cover} and \textit{Graph Isomorphism}, among others. We theoretically show that our modified QUBO matrix QmodQ_{mod}Qmod​ describes the same energy spectrum as the original QQQ. Experiments conducted on the five optimization problems mentioned above demonstrate that our algorithm achieved reductions in the number of couplings by up to 49%49\%49% and in circuit depth by up to 41%41\%41%.
Quadratic Unconstrained Binary Optimization (QUBO) can be seen as a generic language for optimization problems. QUBOs attract particular attention since they can be solved with quantum hardware, like quantum annealers or quantum gate computers running QAOA. In this paper, we present two novel QUBO formulations for k-SAT and Hamiltonian Cycles that scale significantly better than existing approaches. For k-SAT we reduce the growth of the QUBO matrix from O(k) to O(log(k)). For Hamiltonian Cycles the matrix no longer grows quadratically in the number of nodes, as currently, but linearly in the number of edges and logarithmically in the number of nodes.
Recent advancements in quantum computing have demonstrated significant potential for solving combinatorial optimization problems, like the quadratic knapsack problem, a constrained binary optimization problem. However, current quantum and quantum-inspired algorithms often require transforming these constrained problems into an unconstrained form, known as Quadratic Unconstrained Binary Optimization (QUBO). Such transformations can significantly impact the algorithms’ speed and efficiency. In this study, we evaluate five existing transformation methods and propose four novel approaches. We assess all nine methods using Simulated Annealing and find that three of our approaches outperform existing methods in terms of execution time and the quality and quantity of feasible solutions found. Additionally, we tested these transformations on quantum annealers, which were unable to solve even small problem instances, due to limitations in connectivity and error rates. However, our results highlight the advantages of the new approaches, which reduce the total number of variables in the QUBO representation. This is a critical factor for enhanced performance on emerging quantum hardware, since it also reduces the required number of qubits and the embedding chain lengths.
Recent advancements in quantum computing have demonstrated significant potential for solving combinatorial optimization problems, like the quadratic knapsack problem, a constrained binary optimization problem. However, current quantum and quantum-inspired algorithms often require transforming these constrained problems into an unconstrained form, known as Quadratic Unconstrained Binary Optimization (QUBO). Such transformations can significantly impact the algorithms’ speed and efficiency. In this study, we evaluate five existing transformation methods and propose four novel approaches. We assess all nine methods using Simulated Annealing and find that three of our approaches outperform existing methods in terms of execution time and the quality and quantity of feasible solutions found. Additionally, we tested these transformations on quantum annealers, which were unable to solve even small problem instances, due to limitations in connectivity and error rates. However, our results highlight the advantages of the new approaches, which reduce the total number of variables in the QUBO representation. This is a critical factor for enhanced performance on emerging quantum hardware, since it also reduces the required number of qubits and the embedding chain lengths.
Quantum annealing is a promising approach for solving combinatorial optimization problems. However, its performance is often limited by the overhead of additional qubits required for embedding logical QUBO models onto quantum annealers. This overhead becomes severe when logical QUBO models have dense connectivity. Such dense structures frequently arise when formulating equality and inequality constraints. To address this issue, we propose a method to construct a significantly sparser logical QUBO model for these constraints. By adding auxiliary variables based on specific network structures, our approach decomposes the original constraint into smaller, more manageable constraints. We demonstrate that this method reduces the number of edges (quadratic terms) from O(N2)O(N^2)O(N2) to O(N)O(N)O(N) for the one-hot constraint and to O(Nlog⁡N)O(N\log N)O(NlogN) in the worst case for general equality constraints, where NNN is the number of variables. Experimental results on D-Wave's hardware show that our formulation leads to substantial reductions in the number of qubits required for embedding, shorter average chain lengths, lower chain break rates, and higher feasible solution rates compared to conventional methods. This work provides a practical tool for efficiently solving constrained optimization problems on current and future quantum annealers.
The Quantum Approximate Optimization Algorithm (QAOA) is a promising variational quantum algorithm introduced to tackle classically intractable combinatorial optimization problems. This tutorial offers a comprehensive, first-principles introduction to QAOA and its properties, focusing on its application to Quadratic and Polynomial Unconstrained Binary Optimization (QUBO and PUBO) problems. The tutorial begins by outlining variational quantum circuits and QUBO problems, focusing on their key properties and the encoding of problem constraints through quadratic penalty terms. Next, it explores the QAOA in detail, covering its Hamiltonian formulation, gate decomposition, and example applications, along with their implementation and performance results. This is followed by an analysis of the algorithm's energy landscape, where proofs are provided for its symmetry and periodicity, and where a resulting parameter space reduction is proposed. Finally, the tutorial extends these concepts to PUBO problems by generalizing the results to higher-order Hamiltonians and discussing the associated symmetries and circuit construction.