Computational methods are central to modern physics, yet many problems, especially those involving Quantum Many-Body Systems (QMBSs), remain challenging at scale. The core difficulty of simulating QMBSs is the exponential growth of the solution space with system size. This renders exact treatments intractable and pushes approximate methods to their limits when tackling two- and higher-dimensional systems and long-time dynamics. Quantum computers offer a quantum-native platform for representing and manipulating such systems. Recent algorithmic and technological advancements have enabled experiments on quantum processors in the quantum utility regime, a scale at which exact classical reproduction is no longer feasible. This represents the first step towards realizing quantum advantage, where quantum computers solve specific, practically relevant problems more efficiently than any classical approach. While advancing towards the goal of quantum advantage, useful computations on quantum processors are expected to be realised through hybrid quantum-classical algorithms, which combine quantum experiments and classical computational resources. A prominent example are variational quantum algorithms, where a Parametrized Quantum Circuit (PQC) prepares a trial quantum state whose parameters are iteratively updated by a classical optimisation routine to minimize a target cost function (e.g., the energy of a target Hamiltonian). However, the optimisation of such PQCs is affected by trainability issues, such as barren plateaus in the parameter landscape, which can render the optimisation increasingly difficult for larger system sizes. This motivates the development of novel hybrid approaches overcoming the limits of PQCs. In this thesis, we introduce a new class of approaches based on hybrid Tensor Networks (TNs). A hybrid TN is obtained by integrating quantum states prepared on a quantum processor within TNs -- one of the state-of-the-art approaches for simulating quantum systems. We first show how hybrid TNs can be used for ground-state searches within a variational setting. Then, we further extend the framework to non-variational hybrid TN ansätze for which the quantum tensors are prepared via quantum annealing and subsequently post-processed by classical TNs. In the context of quantum machine learning, which also relies on PQCs, we further investigate heuristic best practices that mitigate the same exponential concentration effects in kernel-based models for anomaly detection. Another class of hybrid algorithms are quantum error-mitigation workflows, where classical post-processing is used to reconstruct expectation values from noise-affected circuit executions. Such methods generally feature a trade-off between the bias and the variance: the price to pay for mitigating noise in a bias-free fashion is that the number of measurements usually grows exponentially with the depth of the circuit in order to achieve a fixed accuracy. In this thesis, we develop a low-resource error-mitigation strategy that reduces the measurement overhead in practical digital Hamiltonian-simulation workflows. We apply this method to Trotterized dynamics in a lattice-gauge-theory model, enabling the extraction of expectation values with improved accuracy at time-scales that allow the observation of post-collision scattering dynamics.
Computational methods are central to modern physics, yet many problems, especially those involving Quantum Many-Body Systems (QMBSs), remain challenging at scale. The core difficulty of simulating QMBSs is the exponential growth of the solution space with system size. This renders exact treatments intractable and pushes approximate methods to their limits when tackling two- and higher-dimensional systems and long-time dynamics. Quantum computers offer a quantum-native platform for representing and manipulating such systems. Recent algorithmic and technological advancements have enabled experiments on quantum processors in the quantum utility regime, a scale at which exact classical reproduction is no longer feasible. This represents the first step towards realizing quantum advantage, where quantum computers solve specific, practically relevant problems more efficiently than any classical approach. While advancing towards the goal of quantum advantage, useful computations on quantum processors are expected to be realised through hybrid quantum-classical algorithms, which combine quantum experiments and classical computational resources. A prominent example are variational quantum algorithms, where a Parametrized Quantum Circuit (PQC) prepares a trial quantum state whose parameters are iteratively updated by a classical optimisation routine to minimize a target cost function (e.g., the energy of a target Hamiltonian). However, the optimisation of such PQCs is affected by trainability issues, such as barren plateaus in the parameter landscape, which can render the optimisation increasingly difficult for larger system sizes. This motivates the development of novel hybrid approaches overcoming the limits of PQCs. In this thesis, we introduce a new class of approaches based on hybrid Tensor Networks (TNs). A hybrid TN is obtained by integrating quantum states prepared on a quantum processor within TNs -- one of the state-of-the-art approaches for simulating quantum systems. We first show how hybrid TNs can be used for ground-state searches within a variational setting. Then, we further extend the framework to non-variational hybrid TN ansätze for which the quantum tensors are prepared via quantum annealing and subsequently post-processed by classical TNs. In the context of quantum machine learning, which also relies on PQCs, we further investigate heuristic best practices that mitigate the same exponential concentration effects in kernel-based models for anomaly detection. Another class of hybrid algorithms are quantum error-mitigation workflows, where classical post-processing is used to reconstruct expectation values from noise-affected circuit executions. Such methods generally feature a trade-off between the bias and the variance: the price to pay for mitigating noise in a bias-free fashion is that the number of measurements usually grows exponentially with the depth of the circuit in order to achieve a fixed accuracy. In this thesis, we develop a low-resource error-mitigation strategy that reduces the measurement overhead in practical digital Hamiltonian-simulation workflows. We apply this method to Trotterized dynamics in a lattice-gauge-theory model, enabling the extraction of expectation values with improved accuracy at time-scales that allow the observation of post-collision scattering dynamics.
The study of quantum many-body systems is crucial to our understanding of nature at the microscopic scale. As analytical solutions quickly become intractable, the development of efficient computational simulation techniques is indispensable to predict the behaviour of quantum systems. This task is particularly challenging as the dimension of the underlying Hilbert space grows exponentially with the system size. While classical computational methods have achieved remarkable success in specific regimes, their applicability is fundamentally limited by this exponential scaling. Quantum computers offer a natural platform for representing and simulating quantum systems, but current devices are constrained by noise and limited qubit counts, drastically restricting the algorithms that can be run. In this context, hybrid quantum-classical algorithms provide a promising approach to combine the strengths of both paradigms. This thesis develops hybrid quantum-classical algorithms for the simulation of quantum many-body systems. The key idea is to perform classically difficult tasks on near-term quantum devices, while leveraging classical computational power to control, correct, and extend the obtained results. Within this framework, we introduce two complementary approaches for the simulation of quantum dynamics. The first method employs circuit knitting techniques to distribute variational quantum simulations across multiple quantum devices. The entanglement between weakly coupled clusters of highly correlated spins is recovered in classical post-processing, where the overhead is controlled through a constrained optimisation problem. The second method combines a simplified, Trotterised quantum dynamics simulation with a parametrised classical ansatz trained to correct for the approximations made on the quantum device. We show that this method can be employed to correct Trotter errors, implement long-range gates with hardware-efficient circuits, or simulate larger systems by incorporating additional degrees of freedom purely classically. In addition, we present a hybrid approach to computing thermal properties of quantum many-body systems via the Quantum Finite Temperature Lanczos Method. A Krylov subspace is generated on a quantum computer by combining the efficient preparation of typical states with real-time evolution. A classical computer then diagonalises the system in the low-dimensional subspace and estimates the finite-temperature expectation values through trace estimation. The results presented in this thesis demonstrate that hybrid quantum-classical algorithms can expand the range of systems that can be studied on near-term quantum devices. Conversely, we show that incorporating quantum subroutines into classical simulation techniques can improve their efficiency. These results suggest that, rather than treating classical and quantum simulation as competing paradigms, their careful integration can provide a more effective route toward practical quantum many-body simulation.
Quantum computing not only holds the potential to solve long-standing problems in quantum physics, but also to offer speed-ups across a broad spectrum of other fields. Access to a computational space that incorporates quantum effects, such as superposition and entanglement, enables the derivation of promising quantum algorithms for important tasks, including preparing the ground state of a quantum system or predicting its evolution over time. Successfully tackling these tasks promises insights into significant theoretical and technological questions, such as superconductivity and the design of new materials. The aim of quantum algorithms is to use a series of quantum operations in a quantum circuit to solve a problem beyond the reach of classical computers. However, the noise and limited scale of current quantum computers restricts these circuits to moderate sizes and depths. As a result, many prominent algorithms are currently infeasible to run for problem sizes of practical interest. In response, recent research focused on variational quantum algorithms, which allow the selection of circuits that act within a quantum device's capabilities. Yet, these algorithms can require the execution of a large number of circuits, leading to prohibitively long computation times. This doctoral thesis develops two main techniques to reduce these quantum computational resource requirements, with the goal of scaling up application sizes on current quantum processors. The first approach is based on stochastic approximations of computationally costly quantities, such as quantum circuit gradients or the quantum geometric tensor (QGT). The second method takes a different perspective on the QGT, leading to a potentially more efficient description of time evolution on current quantum computers. Both techniques rely on maintaining available information and only computing necessary corrections, instead of re-computing possibly redundant data. The main focus of application for our algorithms is the simulation of quantum systems, broadly defined as including the preparation of ground and thermal states, and the real- and imaginary-time propagation of a system. The developed subroutines, however, can further be utilized in the fields of optimization or machine learning. Our algorithms are benchmarked on a range of representative models, such as Ising or Heisenberg spin models, both in numerical simulations and experiments on the hardware. In combination with error mitigation techniques, the latter is scaled up to 27 qubits; into a regime that variational quantum algorithms are challenging to scale to on noisy quantum computers without our algorithms.
These days, research groups such as Google, Microsoft, and Rigetti are working towards fabricating quantum devices which have hundreds to thousands of qubits. In recently proposed quantum algorithms, i.e. hybrid quantum-classical algorithms, such quantum devices are used as subroutines for calculation of classically intractable tasks. However, the applicability of hybrid algorithms was quite limited, for example, the search of the ground state, and simulation of the dynamics of quan- tum systems. In addition, near-term quantum devices are expected to be quite noisy, impairing the precision of computation seriously and removing any potential advantages with quantum computers. Therefore, it is necessary to extend the applicability of hybrid algorithms and mitigate errors on quantum computers. In this thesis, we describe the generalisation of hybrid algorithms so that they can be applied to variety of problems, such as search of the spectrum of quantum systems, simulation of open quantum systems and even general mathematical tasks. The algorithm for finding spectra is useful for applications such as new drug discovery, design of batteries. Generally speaking, quantum systems of interest to physicists, chemists, and materials scientists inevitably interact with their environments, and quantum states are decohered. Therefore, to investigate quantum phenomena, new algorithms simulating open quantum systems are described in this thesis. Algorithms for general mathematical tasks such as matrix multiplication to a vector and solving linear equations, useful for a large number of problems, such as machine learning, are also presented. Furthermore, in order to make hybrid algorithms useful, we also invented a practical error mitigation method for suppressing physical errors, which may make hybrid algorithms useful. We showed that errors can be suppressed for a quantum system with over 50 qubits for the current achievable error rate, which is believed to be hard to simulate with classical computers. Also, we generalised the error mitigation technique to be applied to mitigate algorithmic errors, which may enhance the accuracy of Hamiltonian simulation.
Quantum computers hold the potential of solving problems that are intractable using classical means. Yet, to date no quantum computer has actually solved a problem of general interest that could not have been solved otherwise. Bridging this gap from promised theoretical usefulness to practical relevance is an interdisciplinary challenge, requiring experimental progress, solutions of classical software challenges as well as advances in quantum algorithm design. It is these final two points in which this thesis aims to contribute. One of the most promising quantum computing architectures is based on trapping ions in surface-electrode ion-traps. In order to productively operate such trapped-ion quantum computers, we develop and benchmark a compiler that optimizes ion shuttling sequences in order to efficiently map abstract quantum circuits onto a physical trapped-ion chip. This is a necessary component of the infrastructure of a quantum computing setup, however it is alone not sufficient to execute arbitrary quantum algorithms. In particular, a very promising class of quantum algorithms are so-called hybrid quantum-classical algorithms which leverage the computational resources of both quantum and classical computers. To effectively implement such algorithms, a suitable software setup is necessary to allow for tight interplay between the two types of computers without wasting precious coherence time. To solve this challenge, we propose, implement and benchmark our setup for Interpreted Quantum-Classical Computations (IQCCs), demonstrating its feasibility for trapped-ion quantum computers. For the second part of this thesis we focus on the development of quantum algorithms that make use of this setup. As a first application, we investigate quantum simulations of gauge theories. Such theories are prevalent throughout modern physics and are characterized by local constraints that the dynamics are subject to. Errors in noisy simulations of such theories results in these constraints being violated and the simulations becoming unphysical. We show that this problem can be remedied by measuring gauge operators, decoding possible errors on a classical computer and actively correcting them, which reduces simulation errors. Additionally we interpret the scheme as a sympathetic cooling setup, which allows thermal control of the simulation. We finally turn to the task of preparing ground states of frustration-free Hamiltonians in quantum computers. Studying ground states of various systems is of paramount importance for solving optimization problems and understanding phenomena such as magnetism, superconductivity and superfluidity. We frame the ground-state preparation problem as an error correction problem, wherein energy is measured locally, measurements are decoded and corrections are applied to reduce the energy. In physically relevant examples we show up to exponentially improved runtimes over previous, similar algorithms and give a general run-time bound in terms of the Hamiltonian gap.
Quantum computers promise an exciting path to the scalable simulation of quantum matter. However, in their nascent state, the accessible gate depth of quantum computation on available hardware remains highly constrained. In this thesis, I present a suite of hybrid quantum-classical algorithms that aid Hamiltonian simulation across both the Noisy Intermediate-Scale Quantum era and future fault-tolerant architectures. By treating classical computation as an active resource to refine quantum algorithms, I develop automated, variational methods to learn hardware-efficient circuits. This work aims to overcome traditional trainability barriers, such as barren plateaus, by embedding physical symmetries directly into the circuit design. Central to the thesis is the synergistic use of tensor networks to classically pre-compute weakly entangled stages of a quantum simulation. This enables the compression of deep circuits, drastically reducing both the accumulation of gate errors on near-term physical qubits and the prohibitive overhead of operations like magic state distillation on error-corrected hardware, reserving the quantum processor strictly for the most challenging, highly entangled dynamics. These methodologies are ultimately directed toward the ab-initio simulation of subatomic physics, providing a scalable approach for the first-principles study of strongly correlated systems, including nuclear structure and lattice gauge theories.
Quantum computers acting as ML accelerators have attracted considerable interest as a promising avenue for addressing the limitations of classical computing confronted with solving complex, high-dimensional problems and handling large data sets. The most exciting aspect of quantum computing lies in its quantum advantage via techniques such as quantum parallelism, superposition, and entanglement which allows not only for rapid data processing, but also a means to resolve complex optimization problems beyond the capacity of classical algorithms. Nevertheless, the usage of quantum computing in machine learning is still a fledgling domain, with challenges concerning quantum noise, hardware restrictions, and algorithmic development. In particular, this research is concerned with the development of and study on hybrid quantum-classical algorithms that target to improve ML models in terms of computational capabilities by making use of the best of both worlds. To address this, researchers are developing hybrid algorithms that leverage the strengths of quantum computing for specific tasks, like optimization and pattern recognition, while still relying on classical computing for more flexible and larger-scale processing, ultimately achieving more efficient machine learning systems that can handle large datasets and complex problem-solving more effectively. It includes potential hybrid approaches like quantum-enhanced optimization algorithms, quantum neural networks, and quantum support vector machines, and examines how such algorithms can be used for practical ML problems including data classification, regression and clustering. Furthermore, the paper proposes that hybrid quantum algorithms offer several advantages over their classical counterparts, such as faster convergence rates, higher accuracy in high-dimensional spaces, and improved handling of non-linear and complex problem landscapes. Key advancements in the area of data processing speed and efficiency in problem-solving with and without quantum in the machine learning workflow are also highlighted in the research through comparative analysis and simulation studies. Lastly, the paper concludes by outlining the obstacles yet to be surmounted and the opportunities that lie ahead for hybrid quantum-classical algorithms, such as further improvement of quantum hardware and error mitigation methods, as well as the design of new algorithmic paradigms that seamlessly integrates the classical and quantum computing spaces.