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A Tutorial on Formulating QUBO Models.

Fred Glover, Gary A. Kochenberger

Published Nov 13, 2018• 24 citations
OpenAlex

Abstract

The field of Combinatorial Optimization (CO) is one of the most important areas in the general field of optimization, with important applications found in every industry, including both the private and public sectors. It is also one of the most active research areas pursued by the research communities of Operations Research, Computer Science, and Analytics as they work to design and test new methods for solving real world CO problems. In recent years, we have discovered that a mathematical formulation known as QUBO, an acronym for a Quadratic Unconstrained Binary Optimization problem, can embrace a large variety of important CO problems found in industry and government. Through special reformulation techniques that are easy to apply, the power of QUBO solvers can be used to efficiently solve many important problems once they are put into the QUBO framework. This two-step process of first re-casting an original model into the form of a QUBO model and then solving it with appropriate software enables the QUBO model to become a unifying framework for combinatorial optimization. The alternative path that results for effectively modeling and solving many important problems is a new development in the field of combinatorial optimization. The materials provided in subsequent sections illustrate the process of reformulating important optimization problems as QUBO models through a series of explicit examples. Collectively these examples highlight the application breadth of the QUBO model. We do not focus here on modeling a given problem in the form classically adopted in the optimization community. Rather, our examples disclose the methods that can be used to recast a given problem, perhaps existing in a classical mathematical form, into an equivalent QUBO model.

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The Quadratic Unconstrained Binary Optimization (QUBO) model has gained prominence in recent years with the discovery that it unifies a rich variety of combinatorial optimization problems. By its association with the Ising problem in physics, the QUBO model has emerged as an underpinning of the quantum computing area known as quantum annealing and has become a subject of study in neuromorphic computing. Through these connections, QUBO models lie at the heart of experimentation carried out with quantum computers developed by D-Wave Systems and neuromorphic computers developed by IBM. Computational experience is being amassed by both the classical and the quantum computing communities that highlights not only the potential of the QUBO model but also its effectiveness as an alternative to traditional modeling and solution methodologies. This tutorial discloses the basic features of the QUBO model that give it the power and flexibility to encompass the range of applications that have thrust it onto center stage of the optimization field. We show how many different types of constraining relationships arising in practice can be embodied within the "unconstrained" QUBO formulation in a very natural manner using penalty functions, yielding exact model representations in contrast to the approximate representations produced by customary uses of penalty functions. Each step of generating such models is illustrated in detail by simple numerical examples, to highlight the convenience of using QUBO models in numerous settings. We also describe recent innovations for solving QUBO models that offer a fertile avenue for integrating classical and quantum computing and for applying these models in machine learning.

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Combinatorial Optimization (CO) is one of the most important areas in the field of optimization, with practical applications found in every industry, including both the private and public sectors. In recent years, it was discovered that a mathematical formulation known as QUBO (Quadratic Unconstrained Binary Optimization) problem can embrace an exceptional variety of important CO problems found in the industry. In this work, we explore the Quantum Approximate Optimization Algorithm (QAOA) as a quantum computing approach to solve the Knapsack Problem efficiently by formulating the problem as a QUBO model. Here we implemented QAOA on a quantum emulator, leveraging quantum superposition and entanglement to explore multiple solutions simultaneously. The method offers a promising route for solving large, complex scheduling and resource allocation problems that are tough for classical algorithms, with potential applications in logistics, HPC resource scheduling, and energy optimization.

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The field of Combinatorial Optimization (CO) is one of the most important
areas in the general field of optimization, with important applications found
in every industry, including both the private and public sectors. It is also
one of the most active research areas pursued by the research communities of
Operations Research, Computer Science, and Analytics as they work to design and
test new methods for solving real world CO problems. In recent years, we have
discovered that a mathematical formulation known as QUBO, an acronym for a
Quadratic Unconstrained Binary Optimization problem, can embrace a large
variety of important CO problems found in industry and government. Through
special reformulation techniques that are easy to apply, the power of QUBO
solvers can be used to efficiently solve many important problems once they are
put into the QUBO framework. This two-step process of first re-casting an
original model into the form of a QUBO model and then solving it with
appropriate software enables the QUBO model to become a unifying framework for
combinatorial optimization. The alternative path that results for effectively
modeling and solving many important problems is a new development in the field
of combinatorial optimization. The materials provided in subsequent sections
illustrate the process of reformulating important optimization problems as QUBO
models through a series of explicit examples. Collectively these examples
highlight the application breadth of the QUBO model. We do not focus here on
modeling a given problem in the form classically adopted in the optimization
community. Rather, our examples disclose the methods that can be used to recast
a given problem, perhaps existing in a classical mathematical form, into an
equivalent QUBO model.
The Quadratic Unconstrained Binary Optimization (QUBO) model has gained prominence in recent years with the discovery that it unifies a rich variety of combinatorial optimization problems. By its association with the Ising problem in physics, the QUBO model has emerged as an underpinning of the quantum computing area known as quantum annealing and has become a subject of study in neuromorphic computing. Through these connections, QUBO models lie at the heart of experimentation carried out with quantum computers developed by D-Wave Systems and neuromorphic computers developed by IBM. Computational experience is being amassed by both the classical and the quantum computing communities that highlights not only the potential of the QUBO model but also its effectiveness as an alternative to traditional modeling and solution methodologies. This tutorial discloses the basic features of the QUBO model that give it the power and flexibility to encompass the range of applications that have thrust it onto center stage of the optimization field. We show how many different types of constraining relationships arising in practice can be embodied within the "unconstrained" QUBO formulation in a very natural manner using penalty functions, yielding exact model representations in contrast to the approximate representations produced by customary uses of penalty functions. Each step of generating such models is illustrated in detail by simple numerical examples, to highlight the convenience of using QUBO models in numerous settings. We also describe recent innovations for solving QUBO models that offer a fertile avenue for integrating classical and quantum computing and for applying these models in machine learning.
The Quadratic Unconstrained Binary Optimization (QUBO) model is widely used to solve combinatorial optimization problems by determining the optimal assignment of binary variables in a quadratic formulation. Given its versatility, extensive research has been conducted on developing QUBO solvers and converting combinatorial optimization problems into equivalent QUBO formulations. This paper introduces QUBO++, a novel C++ symbolic mathematical computation library specifically designed for QUBO modeling. It provides a comprehensive set of operators and functions for symbolic computation, enabling seamless transformation of optimization problems into QUBO models. While several Python-based libraries exist for similar purposes, QUBO++ is the only dedicated C++ library that supports multithreaded acceleration via Intel Threading Building Blocks (oneTBB). In addition to its modeling capabilities, QUBO++ includes two fundamental QUBO solvers: the Exhaustive Solver, which is useful for verifying small-scale problems, and the Easy Solver, designed for efficient testing and debugging. Compared to existing Python-based QUBO modeling tools such as PyQUBO, Fixstars Amplify, and Tytan, QUBO++ demonstrates significantly higher performance, achieving speedups of over 1,700 times in certain scenarios. By leveraging QUBO-based problem-solving techniques, QUBO++ serves as a powerful and versatile tool for addressing complex optimization challenges in both industrial and societal applications.
Quantum computing promises to have a tremendous advantage over its classical counterpart for solving computationally hard problems, yet remains in a relatively early stage for practical applications owing to the limited capabilities of today’s quantum computers. The approach to the special purposes of quantum computers by exploiting the special-purpose physics-inspired or quantum-inspired computers is emerging as a novel alternative to its quantum counterpart in tackling hard problems in high-performance computing. Inspired by physics, the Ising machine — a type of special-purpose computer that implements or emulates physics or quantum effects of the Ising model to speed up finding solutions to optimization problems — has recently become an active research area in the field of combinatorial optimization. This paper is to address the key enabling software and hardware technology underlying physics-inspired optimization using Ising machines in the unified quadratic unconstrained binary optimization (QUBO) framework for modeling and solving computationally hard combinatorial optimization problems, and with an aim to shed some light on the challenges and opportunities associated with the ever-growing landscape of this novel high-performance computing.
Practical discrete optimization problems often contain multidimensional arrays of variables with linear constraints, which complicates their conversion to QUBO (quadratic unconstrained binary optimization) form. The article proposes a systematic approach to transforming such problems, which includes three key steps: the transition from a multidimensional representation of variables to a one-dimensional one using the Kronecker product of matrices, the reduction of mixed variables to binary ones, and the introduction of linear constraints into the objective function through quadratic penalties. Explicit computational formulas are obtained for each stage, simplifying their software implementation. The developed method is illustrated with examples from graph theory and combinatorial optimization, including classical formulations, confirming its universality. The results of the article allow standardizing the process of adapting problems for solving on quantum annealing algorithms (e.g., D-Wave) and classical QUBO solvers.
The advent of quantum computing processors with possibility to scale beyond experimental capacities magnifies the importance of studying their applications. Combinatorial optimization problems can be one of the promising applications of these new devices. These problems are recurrent in industrial applications and they are in general difficult for classical computing hardware. In this work, we provide a survey of the approaches to solving different types of combinatorial optimization problems, in particular quadratic unconstrained binary optimization (QUBO) problems on a gate model quantum computer. We focus mainly on four different approaches including digitizing the adiabatic quantum computing, global quantum optimization algorithms, the quantum algorithms that approximate the ground state of a general QUBO problem, and quantum sampling. We also discuss the quantum algorithms that are custom designed to solve certain types of QUBO problems.
Combinatorial Optimization (CO) is one of the most important areas in the field of optimization, with practical applications found in every industry, including both the private and public sectors. In recent years, it was discovered that a mathematical formulation known as QUBO (Quadratic Unconstrained Binary Optimization) problem can embrace an exceptional variety of important CO problems found in the industry. In this work, we explore the Quantum Approximate Optimization Algorithm (QAOA) as a quantum computing approach to solve the Knapsack Problem efficiently by formulating the problem as a QUBO model. Here we implemented QAOA on a quantum emulator, leveraging quantum superposition and entanglement to explore multiple solutions simultaneously. The method offers a promising route for solving large, complex scheduling and resource allocation problems that are tough for classical algorithms, with potential applications in logistics, HPC resource scheduling, and energy optimization.