Challenging computational problems arising in the practical world are frequently tackled by heuristic algorithms. Small universal quantum computers will emerge in the next year or two, enabling a substantial broadening of the types of quantum heuristics that can be investigated beyond quantum annealing. The immediate question is: what experiments should we prioritize that will give us insight into quantum heuristics? One leading candidate is the quantum approximate optimization algorithm (QAOA) metaheuristic. In this work, we provide a framework for designing QAOA circuits for a variety of combinatorial optimization problems with both hard constraints that must be met and soft constraints whose violation we wish to minimize. We work through a number of examples, and discuss design principles.
Challenging computational problems arising in the practical world are frequently tackled by heuristic algorithms. Small universal quantum computers will emerge in the next year or two, enabling a substantial broadening of the types of quantum heuristics that can be investigated beyond quantum annealing. The immediate question is: what experiments should we prioritize that will give us insight into quantum heuristics? One leading candidate is the quantum approximate optimization algorithm (QAOA) metaheuristic. In this work, we provide a framework for designing QAOA circuits for a variety of combinatorial optimization problems with both hard constraints that must be met and soft constraints whose violation we wish to minimize. We work through a number of examples, and discuss design principles.
The Quantum Approximate Optimization Algorithm (QAOA) has shown promise in solving combinatorial optimization problems by leveraging quantum computational power. We propose a simple approach, the Two-Step QAOA, which aims to improve the effectiveness of QAOA by decomposing problems with k-hot encoding QUBO (Quadratic Unconstrained Binary Optimization) formulations. By identifying and separating the problem into two stages, we transform soft constraints into hard constraints, simplifying the generation of initial conditions and enabling more efficient optimization. The method is particularly beneficial for tackling complex societal problems that often involve intricate constraint structures.
Many of the most challenging computational problems arising in practical applications are tackled by heuristic algorithms which have not been rigorously proven to outperform other approaches but rather have been empirically demonstrated to be effective. While quantum heuristics have been proposed since the early days of quantum computing, true empirical evaluation of the real-world performance of these algorithms is only becoming possible now as increasingly powerful quantum gate-model devices continue to come online.In this talk, I will give an overview of the NASA QuAIL team's ongoing investigation into quantum gate-model heuristic algorithms for exact and approximate optimization. In particular, we consider the performance of the Quantum Approximate Optimization Algorithm on NP-hard optimization problems, and describe algorithm parameter setting strategies for real-world quantum hardware. We then show a generalization of QAOA circuits, the Quantum Alternating Operator Ansatz, especially suitable for low-resource implementations of QAOA for problems with hard (feasibility) constraints. The talk will conclude with a discussion of research challenges, particularly for optimization and sampling applications of QAOA, and the potential of more general quantum heuristics to give advantages over classical computers.
Quantum computers are expected to accelerate solving combinatorial optimization problems, including algorithms such as Grover adaptive search and quantum approximate optimization algorithm (QAOA). However, many combinatorial optimization problems involve constraints which, when imposed as soft constraints in the cost function, can negatively impact the performance of the optimization algorithm. In this paper, we propose fermionic quantum approximate optimization algorithm (FQAOA) for solving combinatorial optimization problems with constraints. Specifically, FQAOA tackles the constrains issue by using fermion particle number preservation to intrinsically impose them throughout QAOA. We provide a systematic guideline for designing the driver Hamiltonian for a given problem Hamiltonian with constraints. The initial state can be chosen to be a superposition of states satisfying the constraint and the ground state of the driver Hamiltonian. This property is important since FQAOA reduced to quantum adiabatic computation in the large limit of circuit depth p and improved performance, even for shallow circuits with optimizing the parameters starting from the fixed-angle determined by Trotterized quantum adiabatic evolution. We perform an extensive numerical simulation and demonstrate that proposed FQAOA provides substantial performance advantages against existing approaches in portfolio optimization problems. Furthermore, the Hamiltonian design guideline is useful not only for QAOA but also Grover adaptive search and quantum phase estimation to solve combinatorial optimization problems with constraints. Since software tools for fermionic systems have been developed in quantum computational chemistry both for noisy intermediate-scale quantum computers and fault-tolerant quantum computers, FQAOA allows us to apply these tools for constrained combinatorial optimization problems.
NP-hard problems are one of the most computationally intensive challenges in computer science, appearing in many domains such as logistics, cybersecurity, drug design, and financial modelling. Classical algorithms become impractical as problem size increases due to combinatorial explosion. This paper presents a structured framework for analysing quantum algorithms targeting NP-hard optimization problems, like the Traveling Salesman Problem (TSP), Max-Cut, and Boolean Satisfiability (SAT). We have developed a taxonomy which categorizes quantum approaches—quantum annealing, variational algorithms (QAOA/VQE), and Grover-based search—based on problem encoding strategies, resource requirements, and theoretical guarantees. From the comparative analysis of existing literature, we: 1) Map algorithm classes to problem domains (e.g., QAOA for Max-Cut, annealing for TSP) 2) Identify performance trade-offs between solution quality, qubit counts, and circuit depth 3) Analyse hardware compatibility constraints across NISQ platforms 4) Reveal fundamental scalability barriers including noise susceptibility and embedding overhead The framework establishes implementation guidelines for near- term quantum hardware and proposes hybrid quantum-classical pathways to bridge theoretical potential and practical deployment. This systematic analysis prioritizes research directions for achieving quantum advantage in combinatorial optimization.
The main object of study of this work is the Quantum Approximate Optimization Algorithm (QAOA) —the best-known heuristic quantum algorithm for addressing combinatorial optimization problems. Despite its popularity, QAOA poses major challenges. Namely, its performance remains poorly understood, especially in the low depth regime most relevant to near-term quantum computing. Besides, the algorithm is of variational nature, relying on several hyperparameters to be classically trained. In this work, we contribute to addressing these issues by developing techniques to understand the performance of QAOA at low depth, and deducing from these pretrained hyperparameters, thereby eliminating or considerably reducing the need for a classical optimization loop. We first consider applying QAOA to constraint satisfaction problems with the goal of maximizing the algorithm’s approximation ratio (fraction of satisfied constraints). As a particular example, we consider QAOA applied to MAXCUT on non-regular graphs, showing how analytic techniques provide good guess hyperparameters in this setting. Next, we analyze the performance of QAOA on a well-studied constraint satisfaction problem: random k-SAT. In this case, the performance is measured by the probability of finding an assignment satisfying all constraints (“success probability”). To estimate this quantity, we develop new techniques, mapping quantum expectation values of the QAOA circuits to classical spin models. We further show how these techniques can be generalized to a larger family of random constraint satisfaction problems. We conclude the work by two feasibility studies inspired by real-world use cases encountered in collaborations with industrial partners: peptide sampling, and solving flow problems. These problems are naturally phrased by encoding combinatorial variables in qudits, a relatively unexplored setting in the existing literature. We present partial analytic and numerical results for optimal QAOA hyperparameters and the scaling of its success probability in this framework, underlining potential specific difficulties when using QAOA with qudits.
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.