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Quantum Non-Demolition Measurement Techniques for Gradient Evaluation and Resource Reduction in Variational Quantum Algorithms

Rabia Abdul Razaq

Published Jun 17, 2026• 0 citations
Publisher

Abstract

Quantum computing has become a potential way to solve complex problems that conventional computers can’t handle, especially those involving strongly correlated quantum systems. Classical simulation of these systems becomes exponentially more challenging as the number of interacting particles rises, resulting in significant computational and memory limitations. As a result, classical computational approaches are unable to handle many significant physical and chemical systems, including molecular structures, biological molecules, and quantum materials. Quantum computers operate using the same quantum mechanical principles as these systems. Consequently, they provide a natural framework for exploring large Hilbert spaces and capturing complex quantum correlations. This thesis begins by discussing the fundamental principles of quantum mechanics that are applicable to computation, such as qubits, superposition, and entanglement. The construction of quantum circuits is discussed after a discussion of basic quantum gates and their matrix representations. These ideas are the foundation of quantum algorithms and offer the essential framework for comprehending the modeling and manipulation of complicated quantum states using quantum hardware. Building on this foundation, the thesis focuses on Variational Quantum Algorithms (VQAs), which offer a feasible hybrid quantum-classical approach to optimizing near-term quantum devices. In VQAs, a parameterized quantum circuit is used to approximate the ground-state energy of the quantum system. A classical optimizer then iteratively updates the variational parameters to minimize a cost function, usually the expectation value of the system’s Hamiltonian. A thorough analysis of the function of gradient-based optimization is conducted, encompassing the parameter-shift rule that is employed to calculate precise energy derivatives. The discussion is expanded to include major applications such as the Quantum Approximate Optimization Algorithm and developing approaches to quantum machine learning, emphasizing the importance of efficient and accurate gradient evaluation. A major challenge in the real-world application of VQAs is the high resource cost of gradient estimation using conventional direct measurement techniques. These techniques require repeated projective measurements and several executions of parameter-shifted quantum circuits, which lead to significant measurement overhead and deeper circuits. Quantum Non-Demolition Measurement (QNDM) is examined in this thesis as a potential framework for gradient evaluation to get around this limitation. Based on recent theoretical advances, QNDM introduces an ancillary detector qubit that coherently stores gradient information within its phase. Derivatives can then be estimated indirectly through detector measurements. This allows gradient information to be extracted without destroying the quantum state and with a greatly reduced number of measurements. The efficiency of QNDM is evaluated by extending the study to systems with bigger Hamiltonians and greater molecular complexity, as well as by comparing it in detail with direct measurement techniques utilizing benchmark molecular systems like LiH, Li2, and H2. Although both methods successfully converge to the ground-state energy, as shown by numerical results, QNDM consistently uses fewer quantum resources in terms of logical gate operations, measurement shots, and circuit executions. Additionally, as system size grows, QNDM’s resource advantage becomes more noticeable, suggesting that it has favorable scalability for bigger molecular systems. This thesis concludes that, while both direct measurement and quantum non-demolition measurement approaches allow for precise variational optimization, QNDM gives a significant decrease in quantum resources. These results establish QNDM as an effective and scalable method for developing quantum simulations of realistic physical and chemical systems and for executing variational quantum algorithms on near-term quantum hardware.

DOI
10.15167/razaq-rabia-abdul_phd2026-06-17

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Quantum computing has become a potential way to solve complex problems that conventional computers can’t handle, especially those involving strongly correlated quantum systems. Classical simulation of these systems becomes exponentially more challenging as the number of interacting particles rises, resulting in significant computational and memory limitations. As a result, classical computational approaches are unable to handle many significant physical and chemical systems, including molecular structures, biological molecules, and quantum materials. Quantum computers operate using the same quantum mechanical principles as these systems. Consequently, they provide a natural framework for exploring large Hilbert spaces and capturing complex quantum correlations. This thesis begins by discussing the fundamental principles of quantum mechanics that are applicable to computation, such as qubits, superposition, and entanglement. The construction of quantum circuits is discussed after a discussion of basic quantum gates and their matrix representations. These ideas are the foundation of quantum algorithms and offer the essential framework for comprehending the modeling and manipulation of complicated quantum states using quantum hardware. Building on this foundation, the thesis focuses on Variational Quantum Algorithms (VQAs), which offer a feasible hybrid quantum-classical approach to optimizing near-term quantum devices. In VQAs, a parameterized quantum circuit is used to approximate the ground-state energy of the quantum system. A classical optimizer then iteratively updates the variational parameters to minimize a cost function, usually the expectation value of the system’s Hamiltonian. A thorough analysis of the function of gradient-based optimization is conducted, encompassing the parameter-shift rule that is employed to calculate precise energy derivatives. The discussion is expanded to include major applications such as the Quantum Approximate Optimization Algorithm and developing approaches to quantum machine learning, emphasizing the importance of efficient and accurate gradient evaluation. A major challenge in the real-world application of VQAs is the high resource cost of gradient estimation using conventional direct measurement techniques. These techniques require repeated projective measurements and several executions of parameter-shifted quantum circuits, which lead to significant measurement overhead and deeper circuits. Quantum Non-Demolition Measurement (QNDM) is examined in this thesis as a potential framework for gradient evaluation to get around this limitation. Based on recent theoretical advances, QNDM introduces an ancillary detector qubit that coherently stores gradient information within its phase. Derivatives can then be estimated indirectly through detector measurements. This allows gradient information to be extracted without destroying the quantum state and with a greatly reduced number of measurements. The efficiency of QNDM is evaluated by extending the study to systems with bigger Hamiltonians and greater molecular complexity, as well as by comparing it in detail with direct measurement techniques utilizing benchmark molecular systems like LiH, Li2, and H2. Although both methods successfully converge to the ground-state energy, as shown by numerical results, QNDM consistently uses fewer quantum resources in terms of logical gate operations, measurement shots, and circuit executions. Additionally, as system size grows, QNDM’s resource advantage becomes more noticeable, suggesting that it has favorable scalability for bigger molecular systems. This thesis concludes that, while both direct measurement and quantum non-demolition measurement approaches allow for precise variational optimization, QNDM gives a significant decrease in quantum resources. These results establish QNDM as an effective and scalable method for developing quantum simulations of realistic physical and chemical systems and for executing variational quantum algorithms on near-term quantum hardware.
Abstract We present a detailed numerical study of an alternative approach, named quantum non-demolition measurement (QNDM) (Solinas et al 2023 Eur. Phys. J. D 77 76), to efficiently estimate the gradients or the Hessians of a quantum observable. This is a key step and a resource-demanding task when we want to minimize the cost function associated with a quantum observable. In our detailed analysis, we account for all the resources needed to implement the QNDM approach with a fixed accuracy and compare them to the current state-of-the-art method (Mari et al 2021 Phys. Rev. A 103 012405; Schuld et al 2019 Phys. Rev. A 99 032331; Cerezo et al 2021 Nat. Rev. Phys. 3 625). We find that the QNDM approach is more efficient, i.e. it needs fewer resources, in evaluating the derivatives of a cost function. These advantages are already clear in small dimensional systems and are likely to increase for practical implementations and more realistic situations. A significant outcome of our study is the implementation of the QNDM method in Python, provided in the supplementary material (Caletti and Minuto 2024 https://github.com/ simonecaletti/qndm-gradient ). Given that most variational quantum algorithms (VQA) can be formulated within this framework, our results can have significant implications in quantum optimization algorithms and make the QNDM approach a valuable alternative to implement VQA on near-term quantum computers.
Quantum computing has evolved into a promising computational paradigm capable of addressing problems beyond the reach of classical methods. Among current approaches, hybrid quantum–classical algorithms—and in particular Variational Quantum Algorithms (VQAs)—play a central role in the Noisy Intermediate-Scale Quantum (NISQ) era. This thesis analyzes the research conducted during the PhD within the variational framework along two main directions. First, it introduces the Quantum Non-Demolition Measurement (QNDM) method, a novel strategy for efficient gradient estimation in VQAs. By coupling an auxiliary detector qubit through non-demolition operators, QNDM enables derivative extraction from a single measurement, reducing quantum resource requirements by up to an order of magnitude compared to standard direct-measurement methods. The second part explores the application of quantum machine learning to the solution of differential equations, extending the Differential Quantum Circuit (DQC) framework to stochastic systems. This work was carried out during a one-year research internship at the French scale-up Pasqal.
Abstract We present a comparative study of two implementations of a variational quantum algorithm aimed at minimizing the energy of a complex quantum system. In one implementation, we extract the information of the energy gradient by projective measurements. In the second implementation, called the non-demolition approach, the gradient information is stored in a quantum detector, which is eventually measured. As prototypical examples, we study the energy minimization of the lithium-based molecules and then extend the analysis systems with increased complexity. We find that while both approaches are able to identify the energy minimum, the non-demolition approach has a clear advantage in terms of the overall computational resources needed. This advantage increases linearly with the complexity of the quantum system, making the non-demolition approach the ideal candidate to implement such variational quantum algorithms. Graphical abstract Schematic representation of the energy minimization process for the H2 and LiH molecules using direct measurement (DM) and quantum non-demolition measurement (QNDM) approaches. Both methods converge to the minimum energy with similar accuracy, but the QNDM approach requires significantly fewer quantum resources (up to 79% reduction in gate count for LiH), highlighting its efficiency for variational quantum algorithms
We present a detailed numerical study of an alternative approach, named Quantum Non-Demolition Measurement (QNDM), to efficiently estimate the gradients or the Hessians of a quantum observable. This is a key step and a resource-demanding task when we want to minimize the cost function associated with a quantum observable. In our detailed analysis, we account for all the resources needed to implement the QNDM approach with a fixed accuracy and compare them to the current state-of-the-art method. We find that the QNDM approach is more efficient, i.e. it needs fewer resources, in evaluating the derivatives of a cost function. These advantages are already clear in small dimensional systems and are likely to increase for practical implementations and more realistic situations. A significant outcome of our study is the implementation of the QNDM method in Python, provided in the supplementary material. Given that most Variational Quantum Algorithms can be formulated within this framework, our results can have significant implications in quantum optimization algorithms and make the QNDM approach a valuable alternative to implement Variational Quantum Algorithms on near-term quantum computers.
Fault-tolerant quantum computers, when realized, guarantee significant speedups for particular computational tasks. Quantum hardware in the near term, however, is limited to low hundreds of noisy qubits that are not error-corrected. To leverage such devices as well as accommodate rapid developments in both hardware and algorithms, variational quantum algorithms (VQAs) were introduced. These algorithms have the potential to be useful in areas such as chemistry, optimization, machine learning, among others. Despite this potential, the largest experiment to date has employed just twelve qubits to implement the Variational Quantum Eigensolver (VQE), a VQA for simulating ground state energies of fermionic systems. In this dissertation, we present several methods for extending and further developing VQAs to step closer towards realizing applications in which quantum computers can provide meaningful advantages over classical computers. In the first part, we present methods for analyzing and optimizing parameterized quantum circuits (PQCs), a core component in VQAs for approximating target quantum states, e.g. ground state wavefunctions in VQE. To compare among PQCs and guide their design and selection, we introduce a set of algorithm-independent descriptors that can be estimated from simulations. Using these descriptors, we rule out circuits with limited capabilities in expressive and entangling powers. Next, we present a strategy for optimizing PQCs with large parameter counts and high redundancy by removing circuit operations that are less important for optimizing the algorithm objective, effectively reducing the search space. We demonstrate that this method enables larger VQE simulations by converging previously difficult optimizations while additionally reducing circuit resources. In the second part, we present methods for developing VQAs that are related to the quantum hardware. We introduce a new algorithm for simulating components of a quantum processor using an existing quantum computer. The goal of this application is to leverage near-term devices and algorithms to aid in the design of more powerful next-generation quantum hardware. Lastly, we present a guide for algorithm prototyping by deploying instances of VQAs on quantum computers via the cloud. We demonstrate instances of two algorithms, the quantum autoencoder and classifier, on an eight-qubit device. While further advancements in hardware and algorithms lie ahead, our work, along with developments from previous studies, represents significant progress towards realizing practical quantum advantage.
Quantum computers exist today that are capable of performing calculations that challenge the largest classical supercomputers. Now the great challenge is to make use of these devices, or their successors, to perform calculations of independent interest. This thesis focuses on a family of algorithms that aim to accomplish this goal, known as variational quantum algorithms, and the challenges that they face. We frame these challenges in terms of two kinds of resources, the number of operations that we can afford to perform in a single quantum circuit, and the overall number of circuit repetitions required. Before turning to our specific contributions, we provide a review of the electronic structure problem, which serves as a central example for our work. We also provide a self-contained introduction to the field of quantum computing and the notion of a variational quantum algorithm.We begin the main body of the thesis by studying a generalization of the standard unitary coupled cluster ansatz. We present a sparse version of unitary coupled cluster and show that it can accurately represent the ground and excited states of small molecular systems using fewer quantum gates than the full unitary coupled cluster. We then introduce a strategy for representing molecular ground states as linear combinations of parameterized wavefunctions, allowing for a tradeoff between the number of operations required for each circuit and the number of circuit repetitions. We provide circuit primitives that allow for the efficient measurement of the required matrix elements between these wavefunctions. Subsequently, we show how the cost of estimating the energy of a quantum chemical wavefunction on a near-term quantum computer can be dramatically reduced by using a factorization of the two-electron integraltensor. Furthermore, we explain how this measurement strategy helps mitigate against errors during state preparation and measurement. We then present a Monte Carlo version of a classical algorithm for calculating the partition function of two-dimensional lattice models that shows a similar kind of tradeoff between two resources, albeit in a different context. Finally, we show how ideas based on tensor networks can inform the design of quantum circuits for machine learning tasks. We argue that this application is especially tolerant to noise and present numerical data substantiating this argument. We conclude by explaining explicitly how our work addresses the problems of the limited resources available to near-term quantum computers and offering some optimism about the future of the field.