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arXiv:1811.04476 · Quantum Science and Technology

Finding the ground state of the Hubbard model by variational methods on a quantum computer with gate errors

Jan-Michael Reiner, Frank K. Wilhelm, Gerd Schön, Michael Marthaler

Published May 1, 2019• 49 citations
arXivHTMLPDF

Abstract

Abstract A key goal of digital quantum computing is the simulation of fermionic systems such as molecules or the Hubbard model. Unfortunately, for present and near-future quantum computers the use of quantum error correction schemes is still out of reach. Hence, the finite error rate limits the use of quantum computers to algorithms with a low number of gates. The variational Hamiltonian ansatz (VHA) has been shown to produce the ground state in good approximation in a manageable number of steps. Here we study explicitly the effect of gate errors on its performance. The VHA is inspired by the adiabatic quantum evolution under the influence of a time-dependent Hamiltonian, where the—ideally short—fixed Trotter time steps are replaced by variational parameters. The method profits substantially from quantum variational error suppression, e.g. unitary quasi-static errors are mitigated within the algorithm. We test the performance of the VHA when applied to the Hubbard model in the presence of unitary control errors on quantum computers with realistic gate fidelities.

DOI
10.1088/2058-9565/ab1e85

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Abstract A key goal of digital quantum computing is the simulation of fermionic systems such as molecules or the Hubbard model. Unfortunately, for present and near-future quantum computers the use of quantum error correction schemes is still out of reach. Hence, the finite error rate limits the use of quantum computers to algorithms with a low number of gates. The variational Hamiltonian ansatz (VHA) has been shown to produce the ground state in good approximation in a manageable number of steps. Here we study explicitly the effect of gate errors on its performance. The VHA is inspired by the adiabatic quantum evolution under the influence of a time-dependent Hamiltonian, where the—ideally short—fixed Trotter time steps are replaced by variational parameters. The method profits substantially from quantum variational error suppression, e.g. unitary quasi-static errors are mitigated within the algorithm. We test the performance of the VHA when applied to the Hubbard model in the presence of unitary control errors on quantum computers with realistic gate fidelities.
Abstract One of the most promising applications for near term quantum computers is the simulation of physical quantum systems, particularly many-electron systems in chemistry and condensed matter physics. In solid state physics, finding the correct symmetry broken ground state of an interacting electron system is one of the central challenges. To help finding the correct broken symmetries in the thermodynamic limit methods that allow to determine the groundstate of large but finite interacting electron systems are very useful. The variational Hamiltonian ansatz (VHA), a variational hybrid quantum-classical algorithm especially suited for finding the ground state of a solid state system, will in general not prepare a broken symmetry state unless the initial state is chosen to exhibit the correct symmetry. In this work, we discuss three variations of the VHA designed to find the symmetry-breaking groundstate of a finite system close to a transition point between different orders. As a test case we use the two-dimensional Hubbard model where we break the symmetry explicitly by means of external fields coupling to the Hamiltonian and calculate the response to these fields. For the calculation we simulate a gate-based quantum computer and also consider the effects of dephasing noise on the algorithms. We find that two of the three algorithms are in good agreement with the exact solution for the considered parameter range. The third algorithm agrees with the exact solution only for a part of the parameter regime, but is more robust with respect to dephasing compared to the other two algorithms.
Variational algorithms are promising candidates to be implemented on near-term quantum computers. In our work, we investigate the variational Hamiltonian ansatz (VHA), where a parametrized trial state of the quantum mechanical wave function is optimized to obtain the ground-state energy. In the VHA, the trial state is given by a noninteracting reference state modified by unitary rotations using generators that are part of the Hamiltonian describing the system. The lowest energy is obtained by optimizing the angles of those unitary rotations. A standard procedure to optimize the variational parameters is to use gradient-based algorithms. However, shot noise and the intrinsic noise of the quantum device affect the evaluation of the required gradients. We study how different methods for obtaining the gradient, specifically the finite-difference and the parameter-shift rule, are affected by shot noise and the noise of the quantum computer. To this end, we simulate a simple quantum circuit, as well as the two-site and six-site Hubbard models.
One of the most promising applications for near term quantum computers is the simulation of physical quantum systems, particularly many-electron systems in chemistry and condensed matter physics. In solid state physics, finding the correct symmetry broken ground state of an interacting electron system is one of the central challenges. The Variational Hamiltonian Ansatz (VHA), a variational hybrid quantum-classical algorithm especially suited for finding the ground state of a solid state system, will in general not prepare a broken symmetry state unless the initial state is chosen to exhibit the correct symmetry. In this work, we discuss three variations of the VHA designed to find the correct broken symmetry states close to a transition point between different orders. As a test case we use the two-dimensional Hubbard model where we break the symmetry explicitly by means of external fields coupling to the Hamiltonian and calculate the response to these fields. For the calculation we simulate a gate-based quantum computer and also consider the effects of dephasing noise on the algorithms. We find that two of the three algorithms are in good agreement with the exact solution for the considered parameter range. The third algorithm agrees with the exact solution only for a part of the parameter regime, but is more robust with respect to dephasing compared to the other two algorithms.
The preparation of quantum states using short quantum circuits is one of the most promising near-term applications of small quantum computers, especially if the circuit is short enough and the fidelity of gates high enough that it can be executed without quantum error correction. Such quantum state preparation can be used in variational approaches, optimizing parameters in the circuit to minimize the energy of the constructed quantum state for a given problem Hamiltonian. For this purpose we propose a simple-to-implement class of quantum states motivated by adiabatic state preparation. We test its accuracy and determine the required circuit depth for a Hubbard model on ladders with up to 12 sites (24 spin orbitals), and for small molecules. We find that this ansatz converges faster than previously proposed schemes based on unitary coupled clusters. While the required number of measurements is astronomically large for quantum chemistry applications to molecules, applying the variational approach to the Hubbard model (and related models) is found to be far less demanding and potentially practical on small quantum computers. We also discuss another application of quantum state preparation using short quantum circuits, to prepare trial ground states of models faster than using adiabatic state preparation.
Hybrid quantum-classical algorithms have been proposed to circumvent noise limitations in quantum computers. Such algorithms delegate only a calculation of the expectation value to the quantum computer. Among them, the Variational Quantum Eigensolver (VQE) has been implemented to study molecules and condensed matter systems on small size quantum computers. Condensed matter systems described by the Hubbard model exhibit a rich phase diagram alongside exotic states of matter. In this manuscript, we try to answer the question: how much of the underlying physics of a 1D Hubbard chain is described by a problem-inspired Variational Hamiltonian Ansatz (VHA) in a broad range of parameter values ? We start by probing how much does the solution increases fidelity with increasing ansatz complexity. Our findings suggest that even low fidelity solutions capture energy and number of doubly occupied sites well, while spin-spin correlations are not well captured even when the solution is of high fidelity. Our powerful simulation platform allows us to incorporate a realistic noise model and show a successful implementation of a noise-mitigation strategy - the Richardson extrapolation.
Abstract Digital quantum simulations offer exciting perspectives for the study of fermionic systems such as molecules or lattice models. However, with quantum error correction still being out of reach for systems of interesting size, a non-vanishing error rate is inevitable. Here, we study the influence of gate errors on simulations of the Trotterized time evolution of the quantum system with focus on the fermionic Hubbard model. Specifically, we consider the effect of stochastic over-rotations in the applied gates. Depending on the particular algorithm implemented, such gate errors may lead to a time evolution that models a disordered fermionic system, or they may correspond to unphysical errors, e.g., violating particle number conservation. We substantiate our analysis by numerical simulations of model systems. In addition we establish the relation between the gate fidelity and the strength of the over-rotations. Based on this we provide estimates for the maximum number of gates which can be performed with sufficient accuracy. This in turn implies, apart from limitations on the maximum time of the simulation, also restrictions on the system size which can be handled with present-day technology.