Quantum computers have the potential to push the limits of computation in areas such as quantum chemistry, cryptography, optimization, and machine learning. Even though many quantum algorithms show asymptotic improvement compared to classical ones, the overhead of running quantum computers limits when quantum computing becomes useful. Thus, by optimizing components of quantum algorithms, we can bring the regime of quantum advantage closer. My work focuses on developing efficient subroutines for quantum computation. I focus specifically on algorithms for scalable, fault-tolerant quantum computers. While it is possible that even noisy quantum computers can outperform classical ones for specific tasks, high-depth and therefore fault-tolerance is likely required for most applications. In this thesis, I introduce three sets of techniques that can be used by themselves or as subroutines in other algorithms. The first components are coherent versions of classical sort and shuffle. We require that a quantum shuffle prepares a uniform superposition over all permutations of a sequence. The quantum sort is used within the shuffle and as well as in the next algorithm in this thesis. The quantum shuffle is an essential part of state preparation for quantum chemistry computation in first quantization. Second, I review the progress of Hamiltonian simulations and give a new algorithm for simulating time-dependent Hamiltonians. This algorithm scales polylogarithmic in the inverse error, and the query complexity does not depend on the derivatives of the Hamiltonian. A time-dependent Hamiltonian simulation was recently used for interaction picture simulation with applications to quantum chemistry. Next, I present a fully quantum Boltzmann machine. I show that our algorithm can train on quantum data and learn a classical description of quantum states. This type of machine learning can be used for tomography, Hamiltonian learning, and approximate quantum cloning.
Quantum computers have the potential to push the limits of computation in areas such as quantum chemistry, cryptography, optimization, and machine learning. Even though many quantum algorithms show asymptotic improvement compared to classical ones, the overhead of running quantum computers limits when quantum computing becomes useful. Thus, by optimizing components of quantum algorithms, we can bring the regime of quantum advantage closer. My work focuses on developing efficient subroutines for quantum computation. I focus specifically on algorithms for scalable, fault-tolerant quantum computers. While it is possible that even noisy quantum computers can outperform classical ones for specific tasks, high-depth and therefore fault-tolerance is likely required for most applications. In this thesis, I introduce three sets of techniques that can be used by themselves or as subroutines in other algorithms. The first components are coherent versions of classical sort and shuffle. We require that a quantum shuffle prepares a uniform superposition over all permutations of a sequence. The quantum sort is used within the shuffle and as well as in the next algorithm in this thesis. The quantum shuffle is an essential part of state preparation for quantum chemistry computation in first quantization. Second, I review the progress of Hamiltonian simulations and give a new algorithm for simulating time-dependent Hamiltonians. This algorithm scales polylogarithmic in the inverse error, and the query complexity does not depend on the derivatives of the Hamiltonian. A time-dependent Hamiltonian simulation was recently used for interaction picture simulation with applications to quantum chemistry. Next, I present a fully quantum Boltzmann machine. I show that our algorithm can train on quantum data and learn a classical description of quantum states. This type of machine learning can be used for tomography, Hamiltonian learning, and approximate quantum cloning.
The framework of this thesis is fault-tolerant quantum algorithms. Grover's algorithm and quantum walks are described in Chapter 2. We start by highlighting the central role that rotations play in quantum algorithms, explaining Grover's, why it is optimal, and how it may be extended. Key subroutines explained in this area are amplitude amplification and quantum walks, which will constitute useful parts of other algorithms. In the third chapter, in contrast, we turn to the exponential advantages promised by the Fourier transform in the context of the hidden subgroup problem. However, since this application is restricted to cryptography, we later explore its use in quantum linear algebra problems. Here we explain the development of the original quantum linear solver algorithm, its improvements, and finally the dequantization techniques that would often restrict the quantum advantage to polynomial. Chapter 4 is concerned with quantum simulation. We will review classical quantum chemistry techniques, and then focus on Hamiltonian simulation and ground state preparation as the key problems to be solved. Hamiltonian simulation, in particular, will enable the use of quantum phase estimation which computes the eigenvalues or energies of a given quantum state. Given the tradition of our group with error correction, we could not end this thesis without dedicating a final chapter to this topic. Here we explain the most important quantum error correction codes, the surface and color codes, and one extension of the latter, gauge color codes. They will show the complexity of implementing non-Clifford quantum gates, therefore validating their consideration as the bottleneck metric.
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.
Quantum computing offers promising potential for faster computation compared to classical computing, with the advantage of improved scaling as the problem size increases.Many fast quantum algorithms have been developed to solve specific problems using quantum computation, and they are expected to be applied to a wide range of fields, including quantum chemistry, condensed matter physics, and machine learning.However, the high cost of realizing physical systems to perform quantum computations makes resource-efficient implementation methods indispensable.In the first part of this thesis, we study the resource-efficient design of a fault-tolerant protocol based on quantum low-density parity-check (LDPC) codes.Scalable quantum computation to achieve the speed-ups over classical computation requires fault tolerance due to the vulnerability of quantum systems to noise.Fault-tolerant quantum computation (FTQC) expenses significant space and time overheads to achieve fault-tolerant quantum circuits from the original circuits intended to simulate.An FTQC protocol based on quantum LDPC codes has the attractive advantage of constant-space overhead, but has the disadvantage of requiring a long polynomial-time overhead.In this thesis, we present a polylogarithmic time overhead FTQC protocol based on quantum LDPC code, which is exponentially time efficient compared to conventional protocols while maintaining the advantage of the constant space overhead.This overhead is enjoyed even if the non-zero classical computation performing the decoding algorithms is considered.The second part of this thesis investigates the resource-efficient design of variational quantum algorithms (VQAs).The VQAs are a heuristic algorithm with promising applications in various fields.The VQAs can be performed by minimizing task-specific cost functions, typically defined as the expectation values of observables.However, it is known that the execution of variational quantum algorithms requires numerous quantum measurements, and their reduction is a significant challenge in algorithm implementation.In the first study of this part, we propose a new algorithm for calculating nonadiabatic couplings (NACs), which are important quantities in simulating molecular
The simulation of quantum physical systems is expected to be an important application for quantum computers. The work presented in this dissertation aims to improve the resource requirements of quantum computers for solving simulation problems, by providing both novel quantum algorithms and improved implementations of existing ones. I present three main results that cover diverse aspects of simulation including equilibrium physics, the preparation of useful quantum states, and simulations based on classical stochastic processes. The results rely on established quantum algorithms and other recent techniques which I review. My first original contribution is a new quantum algorithm to sample from the thermal Gibbs state of quantum Hamiltonians. The complexity of this algorithm has an exponentially improved dependence on precision compared to an earlier quantum algorithm, and also provides polynomial improvements in other parameters. My second contribution is an improved algorithm to implement reflections about the eigenstates of unitary operators and Hamiltonians, an operation that can be used to prepare ground states of many-body Hamiltonians by quantum amplitude amplification. The improved algorithm for implementing reflections significantly reduces the number of ancilla qubits required over earlier implementations. The improvement relies in part on a novel quantum algorithm for efficiently preparing states with Gaussian-like amplitudes, which may have broad applications. I also prove a lower bound for implementing reflections, which shows that our algorithm is almost optimal. My third and final contribution regards quantum algorithms for classical stochastic processes, which are of importance in statistical physics. I present a quantum algorithm that estimates the average running time of a stochastic process, and provides a quadratic speed-up over a comparable classical algorithm.
With quantum computers on the horizon, it is essential to understand what problems they can be used to solve. One potential application is simulating quantum systems, in particular, systems with many interacting electrons. However, there is a disparity between the computational resources required to study these problems and the capabilities of modern experimental quantum devices. In this thesis, we make progress toward closing this gap by reducing the cost of quantum simulation of quantum chemistry on a number of fronts. In the first half, we develop three improved quantum simulation algorithms by approximating time evolution under the Hamiltonian using a truncated Taylor series rather than the Trotter-Suzuki decomposition. We do this first for the molecular electronic structure Hamiltonian in two representations, obtaining asymptotic improvements in terms of both the number of orbitals and the required precision. We also apply the truncated Taylor series paradigm to quantum simulation in real space, where we consider simulation of general wave functions discretized on a uniform grid. In the second half, by working with Hamiltonians tailored specifically to quantum algorithms, we demonstrate that Trotter steps of the electronic structure Hamiltonian can be simulated in exactly N depth and with only linear connectivity, where N is the number of spin-orbitals. This resolves the problem of non-locality in fermion-to-qubit mappings, and has wide-ranging applications for variational and phase estimation-based quantum simulation of quantum chemistry. We further study this algorithm on an error-corrected quantum computer using the surface code. Benchmarking it alongside other product formula approaches, we show that quantum simulation of scientifically important instances of the electronic structure problem that are classically intractable can be performed with only a few hundred thousand physical qubits and fewer than one billion costly fault-tolerant gates. Finally, we study the effect of using randomized Hamiltonians in iterative phase estimation, and how this allows us to reduce the costs of simulation as well as to exploit knowledge of the ground state in how we design our simulation algorithm.
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.