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Asia Conference on Algorithms, Computing and Machine Learning (CACML)

Direct Application of QAOA Algorithm to PUBO Problem

Junya Wang

Published Mar 28, 2025• 0 citations
Publisher

Abstract

Previously, the approach to solving the PUBO (multiple unconstrained binary optimization) was to transform it into the QUBO (Quadratic Unconstrained Binary Optimization) via variable substitution. Variable substitution is bound to introduce new variables, and when using the QAOA algorithm for solution, it also implies that inevitably more controllable qubits are required. However, this paper will explore how to directly apply the QAOA algorithm to the PUBO problem without converting the PUBO to QUBO, thereby reducing the utilization of qubits.

DOI
10.1109/cacml64929.2025.11010958

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Previously, the approach to solving the PUBO (multiple unconstrained binary optimization) was to transform it into the QUBO (Quadratic Unconstrained Binary Optimization) via variable substitution. Variable substitution is bound to introduce new variables, and when using the QAOA algorithm for solution, it also implies that inevitably more controllable qubits are required. However, this paper will explore how to directly apply the QAOA algorithm to the PUBO problem without converting the PUBO to QUBO, thereby reducing the utilization of qubits.
Quantum computing provides powerful algorithmic tools that have been shown to outperform established classical solvers in specific optimization tasks. A core step in solving optimization problems with known quantum algorithms such as the Quantum Approximate Optimization Algorithm (QAOA) is the problem formulation. While quantum optimization has historically centered around Quadratic Unconstrained Optimization (QUBO) problems, recent studies show, that many combinatorial problems such as the TSP can be solved more efficiently in their native Polynomial Unconstrained Optimization (PUBO) forms. As many optimization problems in practice also contain continuous variables, our contribution investigates the performance of the QAOA in solving continuous optimization problems when using PUBO and QUBO formulations. Our extensive evaluation on suitable benchmark functions, shows that PUBO formulations generally yield better results, while requiring less qubits. As the multi-qubit interactions needed for the PUBO variant have to be decomposed using the hardware gates available, i.e., currently single- and two-qubit gates, the circuit depth of the PUBO approach outscales its QUBO alternative roughly linearly in the order of the objective function. However, incorporating the planned addition of native multi-qubit gates such as the global Mølmer-Sørenson gate, our experiments indicate that PUBO outperforms QUBO for higher order continuous optimization problems in general.
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.
Quadratic Unconstrained Binary Optimization (QUBO) is a broad class of optimization problems with many practical applications. To solve its hard instances in an exact way, known classical algorithms require exponential time and several approximate methods have been devised to reduce such cost. With the growing maturity of quantum computing, quantum algorithms have been proposed to speed up the solution by using either quantum annealers or universal quantum computers. Here we apply the divide-and-conquer approach to reduce the original problem to a collection of smaller problems whose solutions can be assembled to form a single Polynomial Binary Unconstrained Optimization instance with fewer variables. This technique can be applied to any QUBO instance and leads to either an all-classical or a hybrid quantum-classical approach. When quantum heuristics like the Quantum Approximate Optimization Algorithm (QAOA) are used, our proposal leads to a double advantage: a substantial reduction of quantum resources, specifically an average of ~42% fewer qubits to solve MaxCut on random 3-regular graphs, together with an improvement in the quality of the approximate solutions reached.
Quadratic Unconstrained Binary Optimization (QUBO) models are defined by quadratic expressions composed of binary variables, each taking a value of either 0 or 1. The objective of the QUBO problem is to find an optimal assignment of these binary variables that minimizes the value of the QUBO model. The QUBO problem has attracted significant research interest due to its versatility in reformulating various NP-complete problems and its potential for efficiently finding heuristic solutions through quantum annealing. This paper focuses on converting Cubic Unconstrained Binary Optimization (CUBO) problems, defined by cubic expressions, into equivalent QUBO models. Through this conversion, CUBO problems can be solved using quantum annealing. Since the important NP-hard problem 3-SAT can be straightforwardly represented as a CUBO problem, investigating the conversion from CUBO to QUBO models is a meaningful endeavor.
Abstract Quantum annealing aims at solving optimization problems of practical relevance using quantum-computing hardware. Problems of interest are typically formulated in terms of quadratic unconstrained binary optimization (QUBO) Hamiltonians. However, many optimization problems are much more naturally formulated in terms of polynomial unconstrained binary optimization (PUBO) functions of higher order. As we show with various problem examples, leveraging the PUBO formulation can bring considerable savings in terms of required number of qubits. Moreover, in numerical benchmarks for the paradigmatic 3-SAT problem, we find scenarios where the scaling of the minimum energy gap during the optimization sweep differs significantly, suggesting the possibility of an exponentially faster annealing time when using the PUBO as compared to the QUBO formulation. This advantage persists even when considering the overhead caused by the higher-order interactions necessary for PUBO cost Hamiltonians. As an interesting side effect, the analysis on minimum energy gaps of different 3-SAT instance generators reveals different degrees of hardness, which will be of interest also for classical benchmark calculations. Our findings show a promising path to improving the resource efficiency and sweeping speed of quantum annealing protocols on both analog and digital platforms, which are important prerequisites when aiming at solving larger optimization problems with relevance to industry.