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arXiv:2006.06926 · Proceedings of the AAAI Conference on Artificial Intelligence

Decomposed Quadratization: Efficient QUBO Formulation for Learning Bayesian Network

Yuta Shikuri

Published Apr 11, 2025• 5 citations
arXivHTMLPDF

Abstract

Algorithms and hardware for solving quadratic unconstrained binary optimization (QUBO) problems have made significant recent progress. This advancement has focused attention on formulating combinatorial optimization problems as quadratic polynomials. To improve the performance of solving large QUBO problems, it is essential to minimize the number of binary variables used in the objective function. In this paper, we propose a QUBO formulation that offers a bit capacity advantage over conventional quadratization techniques. As a key application, this formulation significantly reduces the number of binary variables required for score-based Bayesian network structure learning. Experimental results on 16 instances, ranging from 37 to 223 variables, demonstrate that our approach requires fewer binary variables than quadratization by orders of magnitude. Moreover, an annealing machine that implement our formulation have outperformed existing algorithms in score maximization.

DOI
10.1609/aaai.v39i11.33234

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Algorithms and hardware for solving quadratic unconstrained binary optimization (QUBO) problems have made significant recent progress. This advancement has focused attention on formulating combinatorial optimization problems as quadratic polynomials. To improve the performance of solving large QUBO problems, it is essential to minimize the number of binary variables used in the objective function. In this paper, we propose a QUBO formulation that offers a bit capacity advantage over conventional quadratization techniques. As a key application, this formulation significantly reduces the number of binary variables required for score-based Bayesian network structure learning. Experimental results on 16 instances, ranging from 37 to 223 variables, demonstrate that our approach requires fewer binary variables than quadratization by orders of magnitude. Moreover, an annealing machine that implement our formulation have outperformed existing algorithms in score maximization.
Ising machines (IMs) are a potential breakthrough in the NP-hard problem of score-based Bayesian network (BN) learning. To utilize the power of IMs, encoding of BN learning into quadratic unconstrained binary optimization (QUBO) has been proposed using up to O(N2)\mathcal{O}(N^2)O(N2) bits, for NNN variables in BN and M=2M = 2M=2 parents each. However, this approach is usually infeasible owing to the upper bound of IM bits when M≥3M \geq 3M≥3. In this paper, we propose an efficient conversion method for BN learning into QUBO with a maximum of ∑n(Λn−1)+(N2)\sum_n (\Lambda_n - 1) + \binom N2∑n​(Λn​−1)+(2N​) bits, for Λn\Lambda_nΛn​ parent set candidates each. The advance selection of parent set candidates plays an essential role in reducing the number of required bits. We also develop a pre-processing algorithm based on the capabilities of a classification and regression tree (CART), which allows us to search for parent set candidates consistent with score minimization in a realistic timeframe.Our conversion method enables us to more significantly reduce the upper bound of the required bits in comparison to an existing method, and is therefore expected to make a significant contribution to the advancement of scalable score-based BN learning.
Annealing machines specialized for combinatorial optimization problems have been developed, and some companies offer services to use those machines. Such specialized machines can only handle binary variables, and their input format is the quadratic unconstrained binary optimization (QUBO) formulation. Therefore, discretization is necessary to solve problems with continuous variables. However, there is a severe constraint on the number of binary variables with such machines. Although the simple binary expansion in the previous research requires many binary variables, we need to reduce the number of such variables in the QUBO formulation due to the constraint. We propose a discretization method that involves using correlations of continuous variables. We numerically show that the proposed method reduces the number of necessary binary variables in the QUBO formulation without a significant loss in prediction accuracy.
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.
Recent advancements in quantum computing have demonstrated significant potential for solving combinatorial optimization problems, like the quadratic knapsack problem, a constrained binary optimization problem. How- ever, current quantum and quantum-inspired algorithms often require transforming these constrained problems into an unconstrained form, known as Quadratic Unconstrained Binary Optimization (QUBO). Such transfor- mations 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 An- nealing 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 num- ber 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 advances in quantum computing have shown great potential for solving combinatorial optimization problems. A notable example is the quadratic knapsack problem, a constrained binary optimization problem. However, current quantum-inspired algorithms require Quadratic Unconstrained Binary Optimization (QUBO) formulations. Transforming constrained optimization into QUBO impacts the algorithms' speed and efficiency. In this study, we evaluate five existing transformation methods and propose four novel approaches. We assess them by using Simulated Annealing (SA), and find that three of our approaches outperform existing methods in terms of execution time as well as quality and quantity of feasible solutions found. Also, we tested these transformations on a quantum annealer, which was unable to solve even small instances, due to limitations in connectivity and error rates. In general, our results highlight the advantages of the new approaches, which reduce the number of variables in the QUBO representation.