This dissertation is concerned with a variety of problems in quantum computing and the spectral theory of quantum-mechanical channels and Hamiltonians. We begin with the problem of quantum gate synthesis. The challenge is to find a fixed, finite set S of quantum gates such that, given a quantum circuit component U acting on n qubits and target precision ε, there is a short, efficiently computable composition of gates from S that approximates U to precision ε. This problem has already led to a rich literature in the case n=1 with deep connections to modern number theory. In this dissertation we present the state-of-the-art algorithm for a single qubit, achieving length 7 log (1/ε). The techniques used include the lattice structure of certain dense subgroups of PU(2) and Lenstra's algorithm for integer programming in convex domains. The next topic considered is scientific computing algorithms intended to run on a quantum computer. Specifically, we study a framework for computing functions of normal matrices using a quantum computer, with the objective of controlling the ancilla overhead, probability of success, and end precision. This arises as a special case of the multivariate quantum eigenvalue transform, for computing function of multiple commuting Hermitian matrices. The techniques applied include approximation of regular functions by low-degree polynomials and modern quantum primitives like quantum signal processing and linear combinations of unitaries. The third component is a spectral gap comparison result for Davies generators, a class of Lindbladians used for Gibbs state preparation and which are a well-studied example of quantum Markov dynamics, and which contain a canonical classical Markov chain. The main result shows that if the spectrum of the Hamiltonian driving the dynamics is free of long arithmetic progressions, then the spectral gaps of the quantum and classical Markov chains are comparable. Thus, classical techniques may be leveraged to control the behavior of the quantum dynamics. The proof is based on transferring any "off-diagonal" eigenvector of the Davies generator to an observable which commutes with the Hamiltonian and has a comparable Lindbladian Rayleigh quotient. Finally, we study the infimum of the spectrum, or ground state energy, of a discrete Schrödinger operator on the scaled integer grid in n dimensions, parameterized by a nonnegative potential V and a small frequency parameter θ. We relate this ground state energy to that of a corresponding continuous semiclassical Schrödinger operator on the full n-dimensional space with parameter θ, arising from the same choice of potential, and show that these quantities are equal up to vanishing factors depending on the regularity of V. The proofs are elementary and rely on sampling and interpolation to map low-energy functions for the discrete operator on the scaled grid to low-energy functions for the continuous operator on the full space, and vice versa. Coauthors on these works were J. Basso, T. R. Blackman, Y. Borns-Weil, I. Detherage, S. Ganguly, N. Srivastava, T. Saffat, A. Sinclair, and T.-D. Vuong.
This dissertation is concerned with a variety of problems in quantum computing and the spectral theory of quantum-mechanical channels and Hamiltonians. We begin with the problem of quantum gate synthesis. The challenge is to find a fixed, finite set S of quantum gates such that, given a quantum circuit component U acting on n qubits and target precision ε, there is a short, efficiently computable composition of gates from S that approximates U to precision ε. This problem has already led to a rich literature in the case n=1 with deep connections to modern number theory. In this dissertation we present the state-of-the-art algorithm for a single qubit, achieving length 7 log (1/ε). The techniques used include the lattice structure of certain dense subgroups of PU(2) and Lenstra's algorithm for integer programming in convex domains. The next topic considered is scientific computing algorithms intended to run on a quantum computer. Specifically, we study a framework for computing functions of normal matrices using a quantum computer, with the objective of controlling the ancilla overhead, probability of success, and end precision. This arises as a special case of the multivariate quantum eigenvalue transform, for computing function of multiple commuting Hermitian matrices. The techniques applied include approximation of regular functions by low-degree polynomials and modern quantum primitives like quantum signal processing and linear combinations of unitaries. The third component is a spectral gap comparison result for Davies generators, a class of Lindbladians used for Gibbs state preparation and which are a well-studied example of quantum Markov dynamics, and which contain a canonical classical Markov chain. The main result shows that if the spectrum of the Hamiltonian driving the dynamics is free of long arithmetic progressions, then the spectral gaps of the quantum and classical Markov chains are comparable. Thus, classical techniques may be leveraged to control the behavior of the quantum dynamics. The proof is based on transferring any "off-diagonal" eigenvector of the Davies generator to an observable which commutes with the Hamiltonian and has a comparable Lindbladian Rayleigh quotient. Finally, we study the infimum of the spectrum, or ground state energy, of a discrete Schrödinger operator on the scaled integer grid in n dimensions, parameterized by a nonnegative potential V and a small frequency parameter θ. We relate this ground state energy to that of a corresponding continuous semiclassical Schrödinger operator on the full n-dimensional space with parameter θ, arising from the same choice of potential, and show that these quantities are equal up to vanishing factors depending on the regularity of V. The proofs are elementary and rely on sampling and interpolation to map low-energy functions for the discrete operator on the scaled grid to low-energy functions for the continuous operator on the full space, and vice versa. Coauthors on these works were J. Basso, T. R. Blackman, Y. Borns-Weil, I. Detherage, S. Ganguly, N. Srivastava, T. Saffat, A. Sinclair, and T.-D. Vuong.
Despite extensive study, our understanding of quantum Markov chains remains far less complete than that of their classical counterparts. [Temme'13] observed that the Davies Lindbladian, a well-studied model of quantum Markov dynamics, contains an embedded classical Markov generator, raising the natural question of how the convergence properties of the quantum and classical dynamics are related. While [Temme'13] showed that the spectral gap of the Davies Lindbladian can be much smaller than that of the embedded classical generator for certain highly structured Hamiltonians, we show that if the spectrum of the Hamiltonian does not contain long arithmetic progressions, then the two spectral gaps must be comparable. As a consequence, we prove that for a large class of Hamiltonians, including those obtained by perturbing a fixed Hamiltonian with a generic external field, the quantum spectral gap remains within a constant factor of the classical spectral gap. Our result aligns with physical intuition and enables the application of classical Markov chain techniques to the quantum setting. The proof is based on showing that any ``off-diagonal'' eigenvector of the Davies generator can be used to construct an observable which commutes with the Hamiltonian and has a Lindbladian Rayleigh quotient which can be upper bounded in terms of that of the original eigenvector's Lindbladian Rayleigh quotient. Thus, a spectral gap for such observables implies a spectral gap for the full Davies generator.
Quantum computation appears to offer significant advantages over classical computation and this has generated a tremendous interest in the field. In this thesis we study the application of quantum computers to computational problems in science and engineering, and to combinatorial optimization problems. We outline the results below. Algorithms for scientific computing require modules, i.e., building blocks, implementing elementary numerical functions that have well-controlled numerical error, are uniformly scalable and reversible, and that can be implemented efficiently. We derive quantum algorithms and circuits for computing square roots, logarithms, and arbitrary fractional powers, and derive worst-case error and cost bounds. We describe a modular approach to quantum algorithm design as a first step towards numerical standards and mathematical libraries for quantum scientific computing. A fundamental but computationally hard problem in physics is to solve the time-independent Schrödinger equation. This is accomplished by computing the eigenvalues of the corresponding Hamiltonian operator. The eigenvalues describe the different energy levels of a system. The cost of classical deterministic algorithms computing these eigenvalues grows exponentially with the number of system degrees of freedom. The number of degrees of freedom is typically proportional to the number of particles in a physical system. We show an efficient quantum algorithm for approximating a constant number of low-order eigenvalues of a Hamiltonian using a perturbation approach. We apply this algorithm to a special case of the Schrödinger equation and show that our algorithm succeeds with high probability, and has cost that scales polynomially with the number of degrees of freedom and the reciprocal of the desired accuracy. This improves and extends earlier results on quantum algorithms for estimating the ground state energy. We consider the simulation of quantum mechanical systems on a quantum computer. We show a novel divide and conquer approach for Hamiltonian simulation. Using the Hamiltonian structure, we can obtain faster simulation algorithms. Considering a sum of Hamiltonians we split them into groups, simulate each group separately, and combine the partial results. Simulation is customized to take advantage of the properties of each group, and hence yield refined bounds to the overall simulation cost. We illustrate our results using the electronic structure problem of quantum chemistry, where we obtain significantly improved cost estimates under mild assumptions. We turn to combinatorial optimization problems. An important open question is whether quantum computers provide advantages for the approximation of classically hard combinatorial problems. A promising recently proposed approach of Farhi et al. is the Quantum Approximate Optimization Algorithm (QAOA). We study the application of QAOA to the Maximum Cut problem, and derive analytic performance bounds for the lowest circuit-depth realization, for both general and special classes of graphs. Along the way, we develop a general procedure for analyzing the performance of QAOA for other problems, and show an example demonstrating the difficulty of obtaining similar results for greater depth. We show a generalization of QAOA and its application to wider classes of combinatorial optimization problems, in particular, problems with feasibility constraints. We introduce the Quantum Alternating Operator Ansatz, which utilizes more general unitary operators than the original QAOA proposal. Our framework facilitates low-resource implementations for many applications which may be particularly suitable for early quantum computers. We specify design criteria, and develop a set of results and tools for mapping diverse problems to explicit quantum circuits. We derive constructions for several important prototypical problems including Maximum Independent Set, Graph Coloring, and the Traveling Salesman problem, and show appealing resource cost estimates for their implementations.
In this dissertation, we investigate three different problems in the field of Quantum computation. First, we discuss the quantum complexity of evaluating the Tutte polynomial of a planar graph. Furthermore, we devise a new quantum algorithm for approximating the phase of a unitary matrix. Finally, we provide quantum tools that can be utilized to extract the structure of black-box modules and algebras. While quantum phase estimation (QPE) is at the core of many quantum algorithms known to date, its physical implementation (algorithms based on quantum Fourier transform (QFT) ) is highly constrained by the requirement of high-precision controlled phase shift operators, which remain difficult to realize. In the second part of this dissertation, we introduce an alternative approach to approximately implement QPE with arbitrary constantprecision controlled phase shift operators. The new quantum algorithm bridges the gap between QPE algorithms based on QFT and Kitaev’s original approach. For approximating the eigenphase precise to the nth bit, Kitaev’s original approach does not require any controlled phase shift operator. In contrast, QPE algorithms based on QFT or approximate QFT require controlled phase shift operators with precision of at least Pi/2n. The new approach fills the gap and requires only arbitrary constant-precision controlled phase shift operators. From a physical implementation viewpoint, the new algorithm outperforms Kitaev’s approach. iii The other problem we investigate relates to approximating the Tutte polynomial. We show that the problem of approximately evaluating the Tutte polynomial of triangular graphs at the points (q, 1/q) of the Tutte plane is BQP-complete for (most) roots of unity q. We also consider circular graphs and show that the problem of approximately evaluating the Tutte polynomial of these graphs at the point (e 2πi/5 ,e−2πi/5 ) is DQC1-complete and at points (q k , 1 + 1−q−k (q 1/2−q−1/2) 2 ) for some integer k is in BQP. To show that these problems can be solved by a quantum computer, we rely on the relation of the Tutte polynomial of a planar G graph with the Jones and HOMFLY polynomial of the alternating link D(G) given by the medial graph of G. In the case of our graphs the corresponding links are equal to the plat and trace closures of braids. It is known how to evaluate the Jones and HOMFLY polynomial for closures of braids. To establish the hardness results, we use the property that the images of the generators of the braid group under the irreducible Jones-Wenzl representations of the Hecke algebra have finite order. We show that for each braid b we can efficiently construct a braid ˜b such that the evaluation of the Jones and HOMFLY polynomials of their closures at a fixed root of unity leads to the same value and that the closures of ˜b are alternating links. The final part of the dissertation focuses on finding the structure of a black-box module or algebra. Suppose we are given black-box access to a finite module M or algebra over a finite ring R, and a list of generators for M and R. We show how to find a linear basis and structure constants for M in quantum poly(log |M|) time. This generalizes a recent quantum algorithm of Arvind et al. which finds a basis representation for rings. We then show that iv our algorithm is a useful primitive allowing quantum computers to determine the structure of a finite associative algebra as a direct sum of simple algebras. Moreover, it solves a wide variety of problems regarding finite modules and rings. Although our quantum algorithm is based on Abelian Fourier transforms, it solves problems regarding the multiplicative structure of modules and algebras, which need not be commutative. Examples include finding the intersection and quotient of two modules, finding the additive and multiplicative identities in a module, computing the order of an module, solving linear equations over modules, deciding whether an ideal is maximal, finding annihilators, and testing the injectivity and surjectivity of ring homomorphisms. These problems appear to be exponentially hard classically.
This dissertation presents a study of quantum algorithms for problems that can be posed as matrix function tasks. In Chapter 1 we demonstrate a simple unifying framework for implementing of smooth functions of matrices on a quantum computer. This framework captures a variety of problems that can be solved by evaluating properties of some function of a matrix, and we identify speedups over classical algorithms for some problem classes. The analysis combines ideas from the classical theory of function approximation with the quantum algorithmic primitive of implementing linear combinations of unitary operators. In Chapter 2 we continue this study by looking at the role of sparsity of input matrices in constructing efficient quantum algorithms. We show that classically pre-processing an input matrix by spectral sparsification can be profitable for quantum Hamiltonian simulation algorithms, without compromising the simulation error or complexity. Such preprocessing incurs a one time cost linear in the size of the matrix, but can be exploited to exponentially speed up subsequent subroutines such as inversion. In Chapter 3, we give an application of this theory of matrix functions to the problem of estimating the Renyi entropy of an unknown quantum state. We combine matrix function techniques with mixed state quantum computation in the one-clean qubit model, and are able to bound of the expected runtime of our algorithm in terms of the unknown target quantity. In addition to the theme of analysing the complexity of our algorithms, we also identify instances that are of practical relevance, leading us to some problems of machine learning. In Chapter 4 we investigate kernel based learning methods using random features. We work with the QRAM input model suitable for big data, and show how matrix functions and the quantum Fourier transform can be used to devise a quantum algorithm for sampling random features that are optimised for given input data and choice of kernel. We obtain a potential exponential speedup over the best known classical algorithm even without explicit assumptions of sparsity or low rank. Finally in Chapter 5 we consider the technique of beamsearch decoding used in natural language processing. We work in the query model, and show how quantum search with advice can be used to construct a quantum search decoder that can find the optimal parse (which may for instance be a best translation, or text-to-speech transcript) at least quadratically faster than the best known classical algorithms, and obtain super-quadratic speedups in the expected runtime.
Quantum computers represent a relatively new and promising development in computing technology. One of the applications of quantum computers is modelling quantum many-body systems, which describe interactions between particles on atomic and subatomic scales. Such systems are highly complex and challenging to model with classical computers due to the vast number of possible states and entanglement of the particles. In this dissertation, we examine the extent to which quantum computers can accelerate the modelling of quantum many-body systems compared to classical computers. Specifically, this dissertation presents research on adiabatic state preparation: a quantum algorithmic technique that uses the adiabatic principle from quantum mechanics to approximate eigenstates. We describe three new techniques that fall within this category and, in certain cases, offer advantages over standard methods. First, we consider cases of ground state preparation for fermionic many-body systems, where standard direct interpolation between the initial and final hamiltonian is hindered by level crossings due to discrete symmetries. As an alternative to direct interpolation, we propose adiabatic paths in a higher-dimensional space, which break the relevant symmetries. Next, we present an adiabatic echo verification protocol which mitigates both coherent and incoherent errors, arising from non-adiabatic transitions and hardware noise, respectively. We show that the estimator bias of the observable is reduced when compared to standard adiabatic preparation, achieving up to a quadratic improvement. Finally, we propose a general, fully gate-based and nonvariational quantum algorithm for counterdiabatic driving. We provide a rigorous quantum gate complexity upper bound in terms of the minimum gap Δ around this eigenstate. We find that, in the worst case, the algorithm can be run with at most O~(Δ−(3+o(1))ϵ−(1+o(1))) quantum gates such that a target state fidelity of at least 1−ϵ2 is achieved. In certain cases, the gap dependence can be improved to quadratic.
Szegedy's quantum walk quadratically accelerates reversible classical Markov chains, but extending this mechanism to efficiently implementable quantum Gibbs samplers has remained challenging beyond special classes. We present a walk-free quantum algorithm for preparing purified Gibbs states with a quadratic improvement in spectral-gap dependence for a broad class of quantum Gibbs samplers that satisfy exact Kubo-Martin-Schwinger detailed balance. Our main structural result is an explicit factorization of the corresponding parent Hamiltonian into noncommutative first-order operators. This turns purified Gibbs-state preparation into a singular-value filtering problem and enables a quantum singular value transformation algorithm with quadratically improved gap dependence under standard coherent-access and warm-start assumptions. The framework applies to several efficiently implementable Gibbs samplers beyond the Davies setting. Moreover, we construct noncommuting Hamiltonians with efficiently preparable warm starts whose refinement under quantum Gibbs samplers requires exponential time. For these models, our algorithm achieves an end-to-end quantum speedup over the worst-case mixing scale.