Quantum computation appears to offer significant advantages over classical computation and this has generated a tremendous interest in the field. In this thesis we consider the application of quantum computers to scientific computing and combinatorial optimization. We study five problems. The first three deal with quantum algorithms for computational problems in science and engineering, including quantum simulation of physical systems. In particular, we study quantum algorithms for numerical computation, for the approximation of ground and excited state energies of the Schrödinger equation, and for Hamiltonian simulation with applications to physics and chemistry. The remaining two deal with quantum algorithms for approximate optimization. We study the performance of the quantum approximate optimization algorithm (QAOA), and show a generalization of QAOA, the $\textit{quantum}$ $\textit{alternating}$ $\textit{operator}$ $\textit{ansatz}$, particularly suitable for constrained optimization problems and low-resource implementations on near-term quantum devices.
Quantum computation appears to offer significant advantages over classical computation and this has generated a tremendous interest in the field. In this thesis we consider the application of quantum computers to scientific computing and combinatorial optimization. We study five problems. The first three deal with quantum algorithms for computational problems in science and engineering, including quantum simulation of physical systems. In particular, we study quantum algorithms for numerical computation, for the approximation of ground and excited state energies of the Schrödinger equation, and for Hamiltonian simulation with applications to physics and chemistry. The remaining two deal with quantum algorithms for approximate optimization. We study the performance of the quantum approximate optimization algorithm (QAOA), and show a generalization of QAOA, the quantumalternatingoperatoransatz, particularly suitable for constrained optimization problems and low-resource implementations on near-term quantum devices.
Quantum computation appears to offer significant advantages over classical computation and this has generated a tremendous interest in the field. In this thesis we study the application of quantum computers to computational problems in science and engineering, and to combinatorial optimization problems. We outline the results below. Algorithms for scientific computing require modules, i.e., building blocks, implementing elementary numerical functions that have well-controlled numerical error, are uniformly scalable and reversible, and that can be implemented efficiently. We derive quantum algorithms and circuits for computing square roots, logarithms, and arbitrary fractional powers, and derive worst-case error and cost bounds. We describe a modular approach to quantum algorithm design as a first step towards numerical standards and mathematical libraries for quantum scientific computing. A fundamental but computationally hard problem in physics is to solve the time-independent Schrödinger equation. This is accomplished by computing the eigenvalues of the corresponding Hamiltonian operator. The eigenvalues describe the different energy levels of a system. The cost of classical deterministic algorithms computing these eigenvalues grows exponentially with the number of system degrees of freedom. The number of degrees of freedom is typically proportional to the number of particles in a physical system. We show an efficient quantum algorithm for approximating a constant number of low-order eigenvalues of a Hamiltonian using a perturbation approach. We apply this algorithm to a special case of the Schrödinger equation and show that our algorithm succeeds with high probability, and has cost that scales polynomially with the number of degrees of freedom and the reciprocal of the desired accuracy. This improves and extends earlier results on quantum algorithms for estimating the ground state energy. We consider the simulation of quantum mechanical systems on a quantum computer. We show a novel divide and conquer approach for Hamiltonian simulation. Using the Hamiltonian structure, we can obtain faster simulation algorithms. Considering a sum of Hamiltonians we split them into groups, simulate each group separately, and combine the partial results. Simulation is customized to take advantage of the properties of each group, and hence yield refined bounds to the overall simulation cost. We illustrate our results using the electronic structure problem of quantum chemistry, where we obtain significantly improved cost estimates under mild assumptions. We turn to combinatorial optimization problems. An important open question is whether quantum computers provide advantages for the approximation of classically hard combinatorial problems. A promising recently proposed approach of Farhi et al. is the Quantum Approximate Optimization Algorithm (QAOA). We study the application of QAOA to the Maximum Cut problem, and derive analytic performance bounds for the lowest circuit-depth realization, for both general and special classes of graphs. Along the way, we develop a general procedure for analyzing the performance of QAOA for other problems, and show an example demonstrating the difficulty of obtaining similar results for greater depth. We show a generalization of QAOA and its application to wider classes of combinatorial optimization problems, in particular, problems with feasibility constraints. We introduce the Quantum Alternating Operator Ansatz, which utilizes more general unitary operators than the original QAOA proposal. Our framework facilitates low-resource implementations for many applications which may be particularly suitable for early quantum computers. We specify design criteria, and develop a set of results and tools for mapping diverse problems to explicit quantum circuits. We derive constructions for several important prototypical problems including Maximum Independent Set, Graph Coloring, and the Traveling Salesman problem, and show appealing resource cost estimates for their implementations.
Quantum computing is an emerging field on the multidisciplinary interface between physics, engineering, and computer science with the potential to make a large impact on computational intelligence (CI). The aim of this paper is to introduce quantum approximate optimization methods to the CI community because of direct relevance to solving combinatorial problems. We introduce quantum computing and variational quantum algorithms (VQAs). VQAs are an effective method for the near-term implementation of quantum solutions on noisy intermediate-scale quantum (NISQ) devices with less reliable qubits and early-stage error correction. Then, we explain Farhi et al.'s quantum approximate optimization algorithm (Farhi's QAOA, to prevent confusion). This VQA is generalized by Hadfield et al. to the quantum alternating operator ansatz (QAOA), which is a nature-inspired (particularly, adiabatic) quantum metaheuristic for approximately solving combinatorial optimization problems on gate-based quantum computers. We discuss connections of QAOA to relevant domains, such as computational learning theory and genetic algorithms, discussing current techniques and known results regarding hybrid quantum-classical intelligence systems. We present a schematic of how QAOA is constructed, and also discuss how CI techniques can be used to improve QAOA. We conclude with QAOA implementations for the well-known maximum cut, maximum bisection, and traveling salesperson problems, which can serve as templates for CI practitioners interested in using QAOA.
Combinatorial Optimization problems play an important role in various domains such as logis- tics, life science or the financial sector. As their complexity in general grows exponentially with their problem size, finding the optimal solution classically becomes infeasible very fast. This raises the central question of whether quantum computers are in principle suitable for solving combinatorial optimization problems better and faster than classical computers. In order to find answers to that question, one needs to study quantum algorithms designed for those problems under ideal conditions (i.e., simulations, which are however limited due to exponential scaling) to investigate their potential, but one also needs real quantum hardware to test its viability and evaluate whether practical advantages are reasonable. In this regard, we consider variational quantum algorithms, especially the Quantum Approximate Optimization Algorithm (QAOA) consisting of a problem and a mixer Hamiltonian with freely selectable parameters, originally proposed as variational hybrid ansatz with classical optimization. This algorithm structure of- fers flexible and relatively shallow circuits, which makes it suitable for current NISQ hardware. However, optimizing the variational circuit parameters can be an NP-hard problem at worst. In this thesis, we study different versions of QAOA, especially with a focus on limitations, perfor- mance and potential advantages opposite classical methods. The first part of the thesis concerns the investigation of various aspects regarding the imple- mentation of the variational QAOA protocol such as: the incorporation of a problem constraint either by adding a suitable penalty term of by choosing a suitable mixer (that restricts the search space), the scaling of the problem Hamiltonian in comparison to the mixer Hamiltonian, the choice of the initial values for the classical optimization of the circuit parameters, and finally the choice of the function to be minimized (i.e., CVaR vs. expectation value). We apply this proto- col to both the portfolio optimization and the feature selection and evaluate the performance. In order to improve QAOA, we consider the warm-start QAOA for different problem instances and analyze its improved performance with regard to involved quantum effects. For this purpose, we propose a classical pre-processing method and demonstrate that the warm-start results can be reproduced or even exceeded by this method. The second part addresses the issue that the standard variational form requires a high number of circuit parameters that have to be optimized at a sufficiently large depth, which is a major limitationforachievingpotentialscalingadvantagescomparedtoclassicalmethods. Toovercome this limitation, we investigate and further develop fixed schedules for QAOA, which only rely on two free parameters. We start with introducing the continuous adiabatic theorem as it motivates the form of QAOA and show its limitations, which we address by applying a discrete version of the theorem. With our findings, a new version of QAOA based on linear-ramps (LR-QAOA) is introduced and further developed. In order to derive suitable parameter values for this schedule, we propose a method based on extrapolation from smaller towards larger problem sizes. With our results obtained on a noiseless emulator, we evaluate the quantum runtime scaling and discuss whether a scaling advantage can be achieved compared to classical methods.
Combinatorial optimization problems play a vital role in computer science and engineering, with applications in logistics, network design, finance, and resource allocation. However, many of these problems are NP-hard, making them computationally expensive to solve using classical optimization techniques, especially for large-scale instances. In recent years, quantum computing has emerged as a promising paradigm capable of addressing these limitations by leveraging quantum mechanical principles such as superposition and entanglement. This study investigates the application of quantum computing for solving combinatorial optimization problems, with a focus on algorithm design, complexity analysis, and real-world applicability. The research primarily employs the Quantum Approximate Optimization Algorithm (QAOA) and Grover's search algorithm to solve representative problems such as Max-Cut and the Knapsack problem. The performance of these algorithms is evaluated using key metrics including accuracy, execution time, and approximation ratio, and is compared with classical optimization techniques. The results demonstrate that QAOA is capable of generating near-optimal solutions, achieving accuracy levels of up to 93% for small problem instances. However, the study also highlights the challenges associated with current quantum systems, including noise, limited qubit availability, and increased execution time. Comparative analysis reveals that while classical methods remain more efficient for small-scale problems, quantum algorithms show significant potential for scalability and handling complex optimization tasks. The findings suggest that hybrid quantum-classical approaches offer a practical solution in the current Noisy Intermediate-Scale Quantum (NISQ) era. The study concludes that although quantum computing is still evolving, it holds strong potential for transforming combinatorial optimization in the future.
Over the past few years, many researchers around the world have been keen to know the potential and efficiency of quantum computers. The researchers have focused on specific issues that classical computers cannot solve or issues that quantum computers can handle in a better way. Among these various attractive research topics in quantum computers, this paper introduces the Quantum Approximate Optimization Algorithm (QAOA) which guarantees relatively considerable performances in many combinatorial optimization problems. For the comprehensive understanding of QAOA, this paper also describes the approximate optimization, the Quantum Alternating Operator Ansatz, and applications. Besides the theories of QAOA and Quantum Alternating Operator Ansatz, this paper explains the applications of QAOA to major combinatorial optimization problems such as maximum cut (MaxCut) problem and the max-independent set (MIS) problem.