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arXiv:2105.05018

Optimizing the Phase Estimation Algorithm Applied to the Quantum Simulation of Heisenberg-Type Hamiltonians

Scott Johnstun, Jean-François S. Van Huele

Published May 7, 2021• 0 citations
arXivHTMLPDF

Abstract

The phase estimation algorithm is a powerful quantum algorithm with applications in cryptography, number theory, and simulation of quantum systems. We use this algorithm to simulate the time evolution of a system of two spin-1/2 particles under a Heisenberg Hamiltonian. The evolution is performed through both classical simulations of quantum computers and real quantum computers via IBM's Qiskit platform. We also introduce three optimizations to the algorithm: circular, iterative, and Bayesian. We apply these optimizations to our simulations and investigate how the performance improves. We also discuss the paradigms of iterative and update-based algorithms, which are attributes of these optimizations that can improve quantum algorithms generally.

DOI
10.48550/arxiv.2105.05018

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The phase estimation algorithm is a powerful quantum algorithm with applications in cryptography, number theory, and simulation of quantum systems. We use this algorithm to simulate the time evolution of a system of two spin-1/2 particles under a Heisenberg Hamiltonian. The evolution is performed through both classical simulations of quantum computers and real quantum computers via IBM's Qiskit platform. We also introduce three optimizations to the algorithm: circular, iterative, and Bayesian. We apply these optimizations to our simulations and investigate how the performance improves. We also discuss the paradigms of iterative and update-based algorithms, which are attributes of these optimizations that can improve quantum algorithms generally.
Abstract In this chapter, we present quantum algorithms to approximate Hamiltonian eigenstates. We start discussing the quantum phase estimation algorithms, an important subroutine that allows us to approximate eigenpairs of a Hamiltonian operator given an initial guess and a quantum circuit implementing the time evolution operator. We then present the adiabatic state preparation, a technique to transform the ground state of a Hamiltonian into the ground state of another Hamiltonian. We describe two important heuristic methods, the quantum approximate optimization algorithm, and the variational quantum eigensolver. The second part of the chapter discusses concrete applications in the field of quantum chemistry. After introducing the Born-Oppenheimer Hamiltonian in second quantization and the Hartree-Fock method, we illustrate how a chemical problem can be mapped onto a quantum computer. We conclude the chapter with the simulation of the hydrogen molecule in a minimal basis with the iterative phase estimation algorithm.
Abstract We revisit quantum phase estimation algorithms for the purpose of obtaining the energy levels of many-body Hamiltonians and pay particular attention to the statistical analysis of their outputs. We introduce the mean phase direction of the parent distribution associated with eigenstate inputs as a new post-processing tool. By connecting it with the unknown phase, we find that if used as its direct estimator, it exceeds the accuracy of the standard majority rule using one less bit of resolution, making evident that it can also be inverted to provide unbiased estimation. Moreover, we show how to directly use this quantity to accurately find the energy levels when the initialized state is an eigenstate of the simulated propagator during the whole time evolution, which allows for shallower algorithms. We then use IBM Q hardware to carry out the digital quantum simulation of three toy models: a two-level system, a two-spin Ising model and a two-site Hubbard model at half-filling. Methodologies are provided to implement Trotterization and reduce the variability of results in noisy intermediate scale quantum computers.
Quantum computing is the field that studies computation using quantum mechanical systems, exploiting properties such as superposition or entanglement. The focus of this project will be on quantum phase estimation algorithms. The formalism commonly used to represent quantum algorithms as quantum circuits composed by qubits and quantum gates will be presented. Then, we will be able to explain the quantum Fourier transform (that is exponentially faster than its classical analogue) and three quantum phase estimation algorithms: Kitaev’s phase estimation (KPEA), the phase estimation algorithm based on QFT (PEA) and the iterative quantum phase estimation algorithm based on a semiclassical Fourier transform (IPEA). We will use the Qiskit framework in order to run simulations of such algorithms, and even run them in real IBM Q Experience quantum computers (specifically, we will use the 5 qubit computer ibmq_essex). Statistical post-processing techniques will be essential in order to extract a phase estimation from the results obtained. We will use two post-processing techniques: the majority and the average rule. The performance of these methods applied to the results of several simulations and executions in ibmq_essex will be studied. At last, we will talk about the possible applications of phase estimation algorithms. Phase estimation is used as a subroutine in the field of quantum simulation, allowing us to obtain several magnitudes of a quantum system such as the energy levels. We will present an efficient quantum algorithm for factoring called Shor’s algorithm. The cost of factorization with a classical computer increases exponentially with the size of the input, so this is a example of a task that cannot be solved efficiently on a classical computer, but can be solved efficiently by a quantum computer. Phase estimation is also used in the field of quantum metrology. Specifically, an N-V center can be used to measure magnetic fields with high sensitivity and spatial resolution operating at room temperature thanks to a measuring protocol based on phase estimation.
A quantum phase estimation algorithm allows us to perform full configuration interaction (full-CI) calculations on quantum computers with polynomial costs against the system size under study, but it requires quantum simulation of the time evolution of the wave function conditional on an ancillary qubit, which makes the algorithm implementation on real quantum devices difficult. Here, we discuss an application of the Bayesian phase difference estimation algorithm that is free from controlled time evolution operations to the full-CI calculations.
Quantum-phase-estimation algorithms are critical subroutines in many applications for quantum computers and in quantum-metrology protocols. These algorithms estimate the unknown strength of a unitary evolution. By using coherence or entanglement to sample the unitary NtotN_{\mathrm{tot}}Ntot​ times, the variance of the estimates can scale as O(1/Ntot2)O(1/{N^2_{\mathrm{tot}}})O(1/Ntot2​), compared to the best ``classical'' strategy with O(1/Ntot)O(1/{N_{\mathrm{tot}}})O(1/Ntot​). The original algorithm for quantum phase estimation cannot be implemented on near-term hardware as it requires large-scale entangled probes and fault-tolerant quantum computing. Therefore, alternative algorithms have been introduced that rely on coherence and statistical inference. These algorithms produce quantum-boosted phase estimates without inter-probe entanglement. This family of phase-estimation algorithms have, until now, never exhibited the possibility of achieving optimal scaling O(1/Ntot2)O(1/{N^2_{\mathrm{tot}}})O(1/Ntot2​). Moreover, previous works have not considered the effect of noise on these algorithms. Here, we present a coherence-based phase-estimation algorithm which can achieve the optimal quadratic scaling in the mean absolute error and the mean squared error. In the presence of noise, our algorithm produces errors that approach the theoretical lower bound. The optimality of our algorithm stems from its adaptive nature: Each step is determined, iteratively, using a Bayesian protocol that analyses the results of previous steps.
Simulating the Hamiltonian dynamics of quantum systems is one of the most promising applications of digital quantum computers. In this dissertation, we develop an understanding of quantum simulation algorithms concerning their design, analysis, implementation, and application. We implement three leading simulation algorithms, employing diverse techniques to tighten their error analyses and optimize circuit implementations. We produce concrete resource estimates for simulating a Heisenberg spin system, a problem arising in condensed matter physics that is otherwise difficult to solve on a classical computer. The resulting circuits are orders of magnitude smaller than those for the simplest classically-infeasible instances of factoring and quantum chemistry, suggesting the simulation of spin systems as a promising candidate for an early demonstration of practical quantum computation. We design new simulation algorithms by using classical randomness. We show that by simply randomizing how the terms in the Hamiltonian are ordered, one can prove stronger bounds for product formulas and thereby give more efficient quantum simulations. We also develop a classical sampler for time-dependent Hamiltonians, using which we give a simulation algorithm that substantially improves over previous approaches when the Hamiltonian varies significantly with time. We propose a general theory to analyzing product formulas, an approach to quantum simulation widely used in experimental demonstrations but whose error scaling was poorly understood. Our approach directly exploits the commutativity of Hamiltonian, overcoming the limitations of prior error analyses. We prove new speedups of product formulas for simulating many quantum systems, including simulations of nearest-neighbor lattice systems, second-quantized plane-wave electronic structure, kkk-local Hamiltonians, rapidly decaying power-law interactions, and clustered Hamiltonians, nearly matching or even outperforming the best previous results in quantum simulation. We accompany our analysis with numerical calculation, which suggests that the bounds also have nearly tight constant prefactors. We identify applications of quantum simulation to designing other quantum algorithms and improving quantum Monte Carlo methods. We develop an algorithmic framework ``quantum singular value transformation'' using techniques from quantum simulation and apply it to implement principal component regression. We also apply our new analysis of product formulas and obtain improved quantum Monte Carlo simulations of the transverse field Ising model and quantum ferromagnets.