This dissertation addresses fundamental challenges in solving constrained combinatorial optimization problems using hybrid quantum-classical computing approaches. Quantum computing shows promise for tackling computationally intractable problems, current approaches face significant limitations. The path forward in computing involves combining quantum and classical computing approaches. Quantum processing units (QPUs) will play a key role in accelerating algorithms in optimization, simulation, and machine learning applications beyond what classical computers can achieve on their own, similar to how graphical processing units (GPUs) have become integral to general-purpose computing. The current generation of quantum devices is limited by noise and circuit depth constraints, making it challenging to gain practical utility. Hybrid quantum-classical approaches, which combine quantum computing resources with classical computing resources, are essential for addressing these limitations on near-term devices. In the area of combinatorial optimization, current practical state-of-the-art hybrid approaches are variational in nature, relying on parameterized quantum circuits to encode solutions and classical optimization techniques to find optimal parameters. While the ultimate goal of solving computationally intractable problems is to find provably optimal solutions, practical constraints of real-world scenarios often necessitate focusing on efficiently obtaining high-quality, near-optimal solutions. The Quantum Approximate Optimization Algorithm (QAOA) is a hybrid quantum-classical approach for tackling these challenging problems that are encoded using quadratic and higher-order unconstrained binary optimization problems (QUBO and HUBO). QAOA alternates between two operators: a problem-specific cost Hamiltonian that encodes the optimization objective, and a mixer Hamiltonian that explores the solution space. The algorithm's parameters are iteratively optimized using classical methods to maximize the probability of sampling high-quality solutions. However, these methods often struggle with solution feasibility, especially for problems where the solutions must satisfy specific constraints. Penalty-based encodings require careful parameter tuning and risk producing infeasible solutions, while feasibility-preserving methods demand deeper quantum circuits that are challenging to implement on near-term quantum devices. In this dissertation, we present novel strategies that reduce or omit dependency on penalty parameters while maintaining solution quality, effectively capturing both optimal and near-optimal solutions, and balancing the trade-offs between circuit depth and solution feasibility. We present SCOOP, a novel QAOA-based framework for solving constrained optimization problems. SCOOP transforms a constrained problem into an unconstrained counterpart, forming SCOOP problem twins. QAOA operates on the unconstrained twin to identify potential optimal and near-optimal solutions. Effective classical post-processing reduces the solution set to the constrained problem space. Our SCOOP approach is solution-enhanced, objective-function-compatible, and scalable. We demonstrate the effectiveness of the SCOOP framework on selected NP-hard problems, some of which can be encoded quadratically (such as Minimum Vertex Cover and Maximum Independent Set), and some that can be encoded using higher-order terms (such as Minimum Dominating Set, Minimum Maximal Matching, and Minimum Set Cover). We also apply our framework to constrained combinatorial optimization problems that can be solved in polynomial time, such as Minimum Edge Cover and Maximum Matching. Experimental results on full statevector simulators and tensor network simulators show that SCOOP significantly improves the probability of finding high-quality feasible solutions across various problem classes, on problems that can be encoded quadratically as well as problems that can be encoded using higher-order terms. We also demonstrate the effectiveness of SCOOP on real quantum hardware, specifically IBM Quantum Heron R2 processors with 156 qubits, showing that SCOOP can be applied to practical problems with current quantum hardware limitations. This work makes significant contributions toward achieving quantum utility by enabling systematic investigation of constrained optimization problems on quantum devices. While current quantum computing research primarily focuses on unconstrained problems like MaxCut, real-world applications typically involve constraints. SCOOP provides a scalable framework for encoding constrained problems, extending quantum computing's practical utility beyond simple unconstrained cases. By eliminating dependency on penalty parameters and providing natural problem formulations, SCOOP makes it feasible to explore quantum solutions for constrained problems where classical exact methods become intractable. This capability is crucial for identifying promising avenues for demonstrating quantum utility across diverse constrained optimization problems, advancing the practical applicability of quantum computing approaches.
This dissertation addresses fundamental challenges in solving constrained combinatorial optimization problems using hybrid quantum-classical computing approaches. Quantum computing shows promise for tackling computationally intractable problems, current approaches face significant limitations. The path forward in computing involves combining quantum and classical computing approaches. Quantum processing units (QPUs) will play a key role in accelerating algorithms in optimization, simulation, and machine learning applications beyond what classical computers can achieve on their own, similar to how graphical processing units (GPUs) have become integral to general-purpose computing. The current generation of quantum devices is limited by noise and circuit depth constraints, making it challenging to gain practical utility. Hybrid quantum-classical approaches, which combine quantum computing resources with classical computing resources, are essential for addressing these limitations on near-term devices. In the area of combinatorial optimization, current practical state-of-the-art hybrid approaches are variational in nature, relying on parameterized quantum circuits to encode solutions and classical optimization techniques to find optimal parameters. While the ultimate goal of solving computationally intractable problems is to find provably optimal solutions, practical constraints of real-world scenarios often necessitate focusing on efficiently obtaining high-quality, near-optimal solutions. The Quantum Approximate Optimization Algorithm (QAOA) is a hybrid quantum-classical approach for tackling these challenging problems that are encoded using quadratic and higher-order unconstrained binary optimization problems (QUBO and HUBO). QAOA alternates between two operators: a problem-specific cost Hamiltonian that encodes the optimization objective, and a mixer Hamiltonian that explores the solution space. The algorithm's parameters are iteratively optimized using classical methods to maximize the probability of sampling high-quality solutions. However, these methods often struggle with solution feasibility, especially for problems where the solutions must satisfy specific constraints. Penalty-based encodings require careful parameter tuning and risk producing infeasible solutions, while feasibility-preserving methods demand deeper quantum circuits that are challenging to implement on near-term quantum devices. In this dissertation, we present novel strategies that reduce or omit dependency on penalty parameters while maintaining solution quality, effectively capturing both optimal and near-optimal solutions, and balancing the trade-offs between circuit depth and solution feasibility. We present SCOOP, a novel QAOA-based framework for solving constrained optimization problems. SCOOP transforms a constrained problem into an unconstrained counterpart, forming SCOOP problem twins. QAOA operates on the unconstrained twin to identify potential optimal and near-optimal solutions. Effective classical post-processing reduces the solution set to the constrained problem space. Our SCOOP approach is solution-enhanced, objective-function-compatible, and scalable. We demonstrate the effectiveness of the SCOOP framework on selected NP-hard problems, some of which can be encoded quadratically (such as Minimum Vertex Cover and Maximum Independent Set), and some that can be encoded using higher-order terms (such as Minimum Dominating Set, Minimum Maximal Matching, and Minimum Set Cover). We also apply our framework to constrained combinatorial optimization problems that can be solved in polynomial time, such as Minimum Edge Cover and Maximum Matching. Experimental results on full statevector simulators and tensor network simulators show that SCOOP significantly improves the probability of finding high-quality feasible solutions across various problem classes, on problems that can be encoded quadratically as well as problems that can be encoded using higher-order terms. We also demonstrate the effectiveness of SCOOP on real quantum hardware, specifically IBM Quantum Heron R2 processors with 156 qubits, showing that SCOOP can be applied to practical problems with current quantum hardware limitations. This work makes significant contributions toward achieving quantum utility by enabling systematic investigation of constrained optimization problems on quantum devices. While current quantum computing research primarily focuses on unconstrained problems like MaxCut, real-world applications typically involve constraints. SCOOP provides a scalable framework for encoding constrained problems, extending quantum computing's practical utility beyond simple unconstrained cases. By eliminating dependency on penalty parameters and providing natural problem formulations, SCOOP makes it feasible to explore quantum solutions for constrained problems where classical exact methods become intractable. This capability is crucial for identifying promising avenues for demonstrating quantum utility across diverse constrained optimization problems, advancing the practical applicability of quantum computing approaches.
While the ultimate goal of solving computationally intractable problems is to find a provably optimal solutions, practical constraints of real-world scenarios often necessitate focusing on efficiently obtaining high-quality, near-optimal solutions. The Quantum Approximate Optimization Algorithm (QAOA) is a state-of-the-art hybrid quantum-classical approach for tackling these challenging problems that are encoded using quadratic and higher-order unconstrained binary optimization problems (QUBO and HUBO). We present SCOOP, a novel QAOAbased framework for solving constrained optimization problems. SCOOP transforms a constrained problem into an unconstrained counterpart, forming SCOOP problem twins. The QAOA quantum algorithm operates on the unconstrained twin to identify potential optimal and near-optimal solutions. Effective classical post-processing reduces the solution set to the constrained problem space. Our SCOOP approach is solution-enhanced, objective-function-compatible, and scalable. We demonstrate the framework on three NP-hard problems, Minimum Dominating Set, Minimum Maximal Matching, and Minimum Set Cover appearing in practical application domains such as resource allocation, communication networks, and machine learning. We validate SCOOP's feasibility and effectiveness on Xanadu PennyLane simulators.
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.
Quantum computing has emerged as a transformative paradigm, leveraging principles of quantum mechanics to tackle computationally intractable problems. This manuscript explores the potential of quantum computing for solving complex engineering problems—specifically optimization, simulation, and data analysis tasks—using technologies and methodologies available up to 2022. We examine both gate-based and quantum annealing approaches, outline experimental frameworks, and compare performance against classical counterparts. Results from simulated benchmark problems demonstrate promising speedups in select cases, though practical adoption is constrained by hardware limitations such as qubit coherence times and noise. The study concludes by highlighting avenues for integrating hybrid quantum-classical workflows in engineering, along with a discussion of current constraints and future directions. Over the past decade, research efforts have focused on understanding how quantum phenomena like superposition and entanglement can be harnessed to realize computational advantages for specific problem classes. In particular, combinatorial optimization problems—ubiquitous in engineering design and logistics—offer fertile ground for quantum algorithms such as the Quantum Approximate Optimization Algorithm (QAOA) and quantum annealing. Additionally, quantum simulation techniques, including the Variational Quantum Eigensolver (VQE), promise to accelerate the modeling of physical systems at the molecular and materials level, potentially informing the design of next-generation structural and functional materials. Beyond raw algorithmic performance, this paper carefully assesses the end‑to‑end workflow, accounting for overheads in problem encoding, error mitigation, and classical post‑processing. We also present a detailed analysis of resource utilization—quantified by qubit counts, circuit depths, and annealing schedules—highlighting trade‑offs between solution quality and execution time. Ultimately, our findings underscore that, while pure quantum speedups remain rare in 2022, hybrid approaches harnessing both quantum and classical resources can yield practical benefits for small‑to‑medium scale engineering tasks. This expanded evaluation provides a roadmap for researchers and practitioners interested in applying quantum computing to real‑world engineering challenges.
Optimization problems are widely encountered in real-world domains such as energy systems, financial markets, transportation networks, supply chain logistics, manufacturing processes, and e-commerce platforms. Traditional classical computing methods often struggle to solve large combinatorial optimization problems due to the exponential growth of the solution space. Quantum computing has emerged as a promising approach to address these challenges by leveraging quantum mechanical principles such as superposition and entanglement. However, current quantum hardware is limited by noise, restricted qubit availability, and scalability issues, making fully quantum solutions impractical for large-scale applications. To overcome these limitations, this research proposes a hybrid quantum–classical supercomputing framework for solving complex optimization problems across multiple domains. The framework integrates classical data processing and optimization techniques with quantum-inspired algorithms, specifically the Quantum Approximate Optimization Algorithm (QAOA), to efficiently explore large solution spaces. Real-world datasets from energy systems, supply chain logistics, financial markets, transportation networks, manufacturing processes, and e-commerce platforms are used for experimental evaluation. The results demonstrate that the hybrid optimization approach can generate higher-quality solutions and improved optimization accuracy compared to traditional classical methods. These findings highlight the potential of hybrid quantum–classical systems as an effective and scalable solution for solving complex optimization problems in modern computational applications.
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.
This thesis explores quantum computing for combinatorial optimization through the Traveling Salesman Problem (TSP), which aims to find a minimum-cost Hamiltonian cycle visiting each city exactly once. Using Qiskit, we implement the Quantum Approximate Optimization Algorithm (QAOA) on both simulators and quantum hardware, and compare its performance with that of classical exact optimization via the Gurobi solver. TSP instances are encoded as Quadratic Unconstrained Binary Optimization (QUBO) problems derived from the Miller–Tucker–Zemlin formulation, with degree and subtour constraints embedded using quadratic penalties. Results indicate that QAOA consistently generates feasible tours, but classical branch-and-bound solvers outperform it in both solution quality and runtime. On Noisy Intermediate-Scale Quantum (NISQ) devices, the optimality gap grows with problem size, reflecting sensitivity to variational parameter tuning, penalty scaling, and hardware noise. Among classical optimizers for QAOA, COBYLA offers the most effective tradeoff between efficiency and noise tolerance. Overall, this work establishes a reproducible quantum-classical workflow, provides performance baselines, and identifies critical factors such as encoding design, optimizer choice, and error mitigation for improving near-term quantum heuristic performance.