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Multiqubit Tunneling and Evolution in Quantum Annealing

Lucas T. Brady

Published Jan 1, 2018• 0 citations
OpenAlex

Abstract

Quantum computing seeks to use the powers of quantum mechanics to accomplish tasks that classical computers cannot easily accomplish. Adiabatic quantum computing is one flavor of quantum computing that slowly changes a system with time in such a way that the state remains close to the ground state for the entire evolution. An easy way to implement and study adiabatic computing is using stoquastic Hamiltonians with no-sign problem. These Hamiltonians can be readily simulated on classical computers using quantum Monte Carlo schemes; though, it is unknown whether such simulation captures the speed and power of the quantum computation.In this work, I study stoquastic Hamiltonians, focusing on quantum mechanical tunneling through classically inaccessible regions and barriers. I study multi-qubit tunneling problems to determine what properties of the barrier make this problem quantum mechanically or classically hard or inefficient. I compare quantum adiabatic computing with a path-integral Quantum Monte Carlo algorithm, which is a classical algorithm designed to simulate the quantum mechanical dynamics of the adiabatic evolution. Limited numerical data shows strong correlation between adiabatic and Monte Carlo runtimes, but due to computational limits, only small system sizes could be sampled.Additionally, I study the properties of the quantum adiabatic algorithm in both the asymptotic limit of a large number of qubits and long runtimes and more realistic finite system sizes and non-adiabatic conditions. I develop a modification of the existing Villain transformation that allows it to find the asymptotic running time of the quantum evolution for different barrier sizes. Furthermore, I compare this to finite system sizes and discover the extremely large numbers of qubits are needed for these asymptotics to be useful.When the quantum dynamics are run faster than adiabatically, new behavior arises that could potentially lead to enhancements in the quantum runtimes. I explore these enhancements, discovering when they do and do not occur. I also develop a broad framework for determining the nature of the near-adiabatic behavior of any quantum evolution, using only information about the energy gap between the ground state and the first excited state.

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Quantum computing seeks to use the powers of quantum mechanics to accomplish tasks that classical computers cannot easily accomplish. Adiabatic quantum computing is one flavor of quantum computing that slowly changes a system with time in such a way that the state remains close to the ground state for the entire evolution. An easy way to implement and study adiabatic computing is using stoquastic Hamiltonians with no-sign problem. These Hamiltonians can be readily simulated on classical computers using quantum Monte Carlo schemes; though, it is unknown whether such simulation captures the speed and power of the quantum computation.In this work, I study stoquastic Hamiltonians, focusing on quantum mechanical tunneling through classically inaccessible regions and barriers. I study multi-qubit tunneling problems to determine what properties of the barrier make this problem quantum mechanically or classically hard or inefficient. I compare quantum adiabatic computing with a path-integral Quantum Monte Carlo algorithm, which is a classical algorithm designed to simulate the quantum mechanical dynamics of the adiabatic evolution. Limited numerical data shows strong correlation between adiabatic and Monte Carlo runtimes, but due to computational limits, only small system sizes could be sampled.Additionally, I study the properties of the quantum adiabatic algorithm in both the asymptotic limit of a large number of qubits and long runtimes and more realistic finite system sizes and non-adiabatic conditions. I develop a modification of the existing Villain transformation that allows it to find the asymptotic running time of the quantum evolution for different barrier sizes. Furthermore, I compare this to finite system sizes and discover the extremely large numbers of qubits are needed for these asymptotics to be useful.When the quantum dynamics are run faster than adiabatically, new behavior arises that could potentially lead to enhancements in the quantum runtimes. I explore these enhancements, discovering when they do and do not occur. I also develop a broad framework for determining the nature of the near-adiabatic behavior of any quantum evolution, using only information about the energy gap between the ground state and the first excited state.
We review here some recent work in the field of quantum annealing, alias adiabatic quantum computation. The idea of quantum annealing is to perform optimization by a quantum adiabatic evolution which tracks the ground state of a suitable time-dependent Hamiltonian, where 'ℏ' is slowly switched off. We illustrate several applications of quantum annealing strategies, starting from textbook toy-models—double-well potentials and other one-dimensional examples, with and without disorder. These examples display in a clear way the crucial differences between classical and quantum annealing. We then discuss applications of quantum annealing to challenging hard optimization problems, such as the random Ising model, the travelling salesman problem and Boolean satisfiability problems. The techniques used to implement quantum annealing are either deterministic Schrödinger's evolutions, for the toy models, or path-integral Monte Carlo and Green's function Monte Carlo approaches, for the hard optimization problems. The crucial role played by disorder and the associated non-trivial Landau–Zener tunnelling phenomena is discussed and emphasized.
The simulation of quantum systems is the most promising candidate for computational advantagesof large scale, fault-tolerant quantum computers over classical computers. Two fundamental prob- lems that appear when simulating quantum systems on quantum computers are the preparation of good input states to the simulation and the problem of decomposing the time evolution operator ???? into primitive gates that are available on the quantum computer. This thesis presents two new algorithms for solving these problems. The first is a time evolution algorithm that approximates the time evolution operator by combining two previously developed techniques. We bound the error of this composite approach and determine analytic conditions on when this can lead to cost savings of the overall simulation. These savings are then verified through extensive numerics. This simulation algorithm can then be used as a subroutine to prepare thermal states, which are typical input states that have a high overlap with the ground state. Our algorithm is inspired by Hamiltonian Monte Carlo, which is a classical sampling algorithm that utilizes Hamiltonian dynamics to sample from arbitrary probability distributions. We bound the cost of our quantum thermal state preparation algorithm in terms of the total amount of time needed to simulate the Hamiltonian of the system in four scenarios: single qubit systems, truncated harmonic oscillators, non-degenerate systems where one knows the eigenvalues, and non-degenerate systems where no eigenvalue knowledge is present. We numerically demonstrate that this algorithm works as guaranteed and can significantly outperform analytic worst-case bounds.
Non-stoquastic Hamiltonians have both positive and negative signs in off-diagonal elements in their matrix representation in the standard computational basis and thus cannot be simulated efficiently by the standard quantum Monte Carlo method due to the sign problem. We describe our analytical studies of this type of Hamiltonians with infinite-range non-random as well as random interactions from the perspective of possible enhancement of the efficiency of quantum annealing or adiabatic quantum computing. It is shown that multi-body transverse interactions like XX and XXXXX with positive coefficients appended to a stoquastic transverse-field Ising model render the Hamiltonian non-stoquastic and reduce a first-order quantum phase transition in the simple transverse-field case to a second-order transition. This implies that the efficiency of quantum annealing is exponentially enhanced, because a first-order transition has an exponentially small energy gap (and therefore exponentially long computation time) whereas a second-order transition has a polynomially decaying gap (polynomial computation time). The examples presented here represent rare instances where strong quantum effects, in the sense that they cannot be efficiently simulated in the standard quantum Monte Carlo, have analytically been shown to exponentially enhance the efficiency of quantum annealing for combinatorial optimization problems.
Most research regarding quantum adiabatic optimization has focused on stoquastic Hamiltonians, whose ground states can be expressed with only real non-negative amplitudes and thus for whom destructive interference is not manifest. This raises the question of whether classical Monte Carlo algorithms can efficiently simulate quantum adiabatic optimization with stoquastic Hamiltonians. Recent results have given counterexamples in which path-integral and diffusion Monte Carlo fail to do so. However, most adiabatic optimization algorithms, such as for solving MAX-kkk-SAT problems, use kkk-local Hamiltonians, whereas our previous counterexample for diffusion Monte Carlo involved nnn-body interactions. Here we present a 6-local counterexample which demonstrates that even for these local Hamiltonians there are cases where diffusion Monte Carlo cannot efficiently simulate quantum adiabatic optimization. Furthermore, we perform empirical testing of diffusion Monte Carlo on a standard well-studied class of permutation-symmetric tunneling problems and similarly find large advantages for quantum optimization over diffusion Monte Carlo.
Quantum Annealing (QA) has already put into practical use and considered useful for solving many social issues, such as reduction of traffic congestion and delivery optimization. But in QA, when the energy difference between the ground state and the first excited state is small, the transition probability between them increases. Therefore, in order to decrease the transition, QA has to be performed at extremely low temperatures. To simulate the situation, it has the problem in that it takes much time. Many studies are underway to accelerate QA theoretically, one of which is to incorporate non-stoquastic Hamiltonian. On the other hand, I proposed Nested Simulated Annealing (NSA) inspired by Quantum Monte Carlo (QMC). I showed the computational speedup could be achieved dramatically, by considering the idea that the effect of flipping a spin preferentially influenced the spins directly interacting with it. Although NSA was based on such classical concept of causality, the hybrid computation both quantum and classical approach worked well. In this paper, in order to discuss the relationship between NSA and non-stoquastic Hamiltonian like XX-interaction, the spins are treated as continuous variables. I derive the formula to calculate the total energy in both with a problem Hamiltonian and the perturbation Hamiltonian induced by a transverse electromagnetic field. And I will show a clear relationship between local-maxima and the convergence speed when calculating it with the binary spin. More precisely, the annealing path with the smallest local-maxima converges fast, even though it consumes fewer computational resources. Therefore, it is possible to induce an optimal adiabatic phase transition by selecting NSA parameters appropriately. This paper shows an effective method to choose the parameters when simulating QMC on a classical computer.
We expand upon the standard quantum adiabatic theorem, examining the time-dependence of quantum evolution in the near-adiabatic limit. We examine a Hamiltonian that evolves along some fixed trajectory from H^0\hat{H}_0H^0​ to H^1\hat{H}_1H^1​ in a total evolution-time τττ, and our goal is to determine how the final state of the system depends on τττ. If the system is initialized in a non-degenerate ground state, the adiabatic theorem says that in the limit of large τττ, the system will stay in the ground state. We examine the near-adiabatic limit where the system evolves slowly enough that most but not all of the final state is in the ground state, and we find that the probability of leaving the ground state oscillates in τττ with a frequency determined by the integral of the spectral gap along the trajectory of the Hamiltonian, so long as the gap is big. If the gap becomes exceedingly small, the final probability is the sum of oscillatory behavior determined by the integrals of the gap before and after the small gap. We confirm these analytic predictions with numerical evidence from barrier tunneling problems in the context of quantum adiabatic optimization.