Abstract Engineering design processes involve iterative design evaluations requiring numerous computationally intensive numerical simulations. Quantum algorithms promise substantial speedups for specific tasks relevant to engineering simulations. However, these advantages quickly vanish when considering data input and output on quantum computers. The recently introduced quantum simulation-based optimization (QuSO) framework circumvents this limitation by treating simulations as subproblems within a larger optimization problem. Here we adapt and implement QuSO for a simplified cooling system design problem, validate correctness in statevector simulations, and present a detailed gate-level complexity analysis for a single QuSO iteration. We express the scaling in terms of problem parameters and quantum approximate optimization algorithm (QAOA) depth and iterations. We show that the cost function can be coherently computed over a superposition of exponentially many configurations using circuits of polynomial complexity. This does not yield a speedup for a single simulation instance, but it enables potential advantages arising from the subsequent QAOA-based search over configurations. The study serves as a proof-of-concept for integrating fault-tolerant quantum subroutines with simulation-based optimization in engineering workflows, clarifying both promise and practical limitations.
Abstract Engineering design processes involve iterative design evaluations requiring numerous computationally intensive numerical simulations. Quantum algorithms promise substantial speedups for specific tasks relevant to engineering simulations. However, these advantages quickly vanish when considering data input and output on quantum computers. The recently introduced quantum simulation-based optimization (QuSO) framework circumvents this limitation by treating simulations as subproblems within a larger optimization problem. Here we adapt and implement QuSO for a simplified cooling system design problem, validate correctness in statevector simulations, and present a detailed gate-level complexity analysis for a single QuSO iteration. We express the scaling in terms of problem parameters and quantum approximate optimization algorithm (QAOA) depth and iterations. We show that the cost function can be coherently computed over a superposition of exponentially many configurations using circuits of polynomial complexity. This does not yield a speedup for a single simulation instance, but it enables potential advantages arising from the subsequent QAOA-based search over configurations. The study serves as a proof-of-concept for integrating fault-tolerant quantum subroutines with simulation-based optimization in engineering workflows, clarifying both promise and practical limitations.
The simulation of many industrially relevant physical processes can be executed up to exponentially faster using quantum algorithms. However, this speedup can only be leveraged if the data input and output of the simulation can be implemented efficiently. While we show that recent advancements for optimal state preparation can effectively solve the problem of data input at a moderate cost of ancillary qubits in many cases, the output problem can provably not be solved efficiently in general. By acknowledging that many simulation problems arise only as a subproblem of a larger optimization problem in many practical applications however, we identify and define a class of practically relevant problems that does not suffer from the output problem: Quantum Simulation-based Optimization (QuSO). QuSO represents optimization problems whose objective function and/or constraints depend on summary statistic information on the result of a simulation, i.e., information that can be efficiently extracted from a quantum state vector. In this article, we focus on the LinQuSO subclass of QuSO, which is characterized by the linearity of the simulation problem, i.e., the simulation problem can be formulated as a system of linear equations. By cleverly combining the quantum singular value transformation (QSVT) with the quantum approximate optimization algorithm (QAOA), we prove that a large subgroup of LinQuSO problems can be solved with up to exponential quantum speedups with regards to their simulation component. Finally, we present two practically relevant use cases that fall within this subgroup of QuSO problems.
Quantum Simulation-based Optimization (QuSO) is a recently proposed class of optimization problems that entails industrially relevant problems characterized by cost functions or constraints that depend on summary statistic information about the simulation of a physical system or process. This work extends initial theoretical results that proved an up-to-exponential speedup for the simulation component of the QAOA-based QuSO solver for the unit commitment problem to an end-to-end speedup, explicitly including the outer optimization component. The numerical experiments were conducted using randomly generated power grid instances of varying sizes and loads that adhere to the physical properties of real world power grids. Exploiting clever classical pre-computation, we develop a very efficient classical quantum circuit simulation that bypasses costly ancillary qubit requirements of the original algorithm, allowing for large-scale experiments. We show that 16 QAOA layers suffice to outperform a strong classical baseline for problems involving up to 14 qubits in scenarios of high load and perform on par otherwise. In summary, our results thus extend previous partial quantum speedup results for QuSO problems to an end-to-end setting that encompasses the runtime of the complete algorithm for a problem of industrial relevance.
Quantum optimization allows for up to exponential quantum speedups for specific, possibly industrially relevant problems. As the key algorithm in this field, we motivate and discuss the Quantum Approximate Optimization Algorithm (QAOA), which can be understood as a slightly generalized version of Quantum Annealing for gate-based quantum computers. We delve into the quantum circuit implementation of the QAOA, including Hamiltonian simulation techniques for higher-order Ising models, and discuss parameter training using the parameter shift rule. An example implementation with Pennylane source code demonstrates practical application for the Maximum Cut problem. Further, we show how constraints can be incorporated into the QAOA using Grover mixers, allowing to restrict the search space to strictly valid solutions for specific problems. Finally, we outline the Variational Quantum Eigensolver (VQE) as a generalization of the QAOA, highlighting its potential in the NISQ era and addressing challenges such as barren plateaus and ansatz design.
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.
This paper presents a Qiskit-compatible distributed quantum approximate optimization algorithm (DQAOA) simulator for quadratic unconstrained binary optimization (QUBO) problems arising in engineering design and decision applications. The open-source simulator is available through the RAISE LAB website and GitHub repository, with README documentation for installation, input formatting, configurable parameters, and example workflows. The package addresses the need for a reusable simulator that can solve and compare QUBO instances across different QAOA execution modes. It supports monolithic QAOA on a single quantum processing unit (QPU) and distributed QAOA across a user-specified number of QPUs with configurable capacities. The workflow canonicalizes the QUBO model, maps it to a cost Hamiltonian, allocates variables across QPUs, identifies local and cross-QPU couplings, and constructs the corresponding circuits. Runtime optimizations, including parameterized circuit reuse, objective reuse at fixed depth, batched evaluations, and parallel multi-start execution, reduce repeated overhead. A Streamlit graphical user interface is also provided for entering or uploading QUBO instances, configuring solver settings, running selected modes, and visualizing solution-quality metrics without editing Python scripts. The package is demonstrated on standalone QUBO benchmarks and a power generation unit commitment application. In the unit commitment case, brute force, monolithic QAOA, and distributed QAOA recover the same commitment bitstring and operating cost. Across multiple case studies, the simulator produces results consistent with classical monolithic QAOA references in terms of optimal bitstrings and costs. Staged runtime analysis shows substantial runtime reduction across implementation stages, while distributed QAOA remains more demanding because cross-QPU couplings require remote operations.
Test case optimization (TCO) reduces the software testing cost while preserving its effectiveness. However, to solve TCO problems for large-scale and complex software systems, substantial computational resources are required. Quantum approximate optimization algorithms (QAOAs) are promising combinatorial optimization algorithms that rely on quantum computational resources, with the potential to offer increased efficiency compared to classical approaches. Several proof-of-concept applications of QAOAs for solving combinatorial problems, such as portfolio optimization, energy optimization in power systems, and job scheduling, have been proposed. Given the lack of investigation into QAOA's application for TCO problems, and motivated by the computational challenges of TCO problems and the potential of QAOAs, we present IGDec-QAOA to formulate a TCO problem as a QAOA problem and solve it on both ideal and noisy quantum computer simulators, as well as on a real quantum computer. To solve bigger TCO problems that require many qubits, which are unavailable these days, we integrate a problem decomposition strategy with the QAOA. We performed an empirical evaluation with five TCO problems and four publicly available industrial datasets from ABB, Google, and Orona to compare various configurations of IGDec-QAOA, assess its decomposition strategy of handling large datasets, and compare its performance with classical algorithms (i.e., Genetic Algorithm (GA) and Random Search). Based on the evaluation results achieved on an ideal simulator, we recommend the best configuration of our approach for TCO problems. Also, we demonstrate that our approach can reach the same effectiveness as GA and outperform GA in two out of five test case optimization problems we conducted. In addition, we observe that, on the noisy simulator, IGDec-QAOA achieved similar performance to that from the ideal simulator. Finally, we also demonstrate the feasibility of IGDec-QAOA on a real quantum computer in the presence of noise.