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arXiv:2205.11427 · Physical Review Research

Classically optimized Hamiltonian simulation

Conor Mc Keever, Michael Lubasch

Published Jun 1, 2023• 73 citations
arXivHTMLPDF

Abstract

Hamiltonian simulation is a promising application for quantum computers to achieve a quantum advantage. We present classical algorithms based on tensor network methods to optimize quantum circuits for this task. We show that, compared to Trotter product formulas, the classically optimized circuits can be orders of magnitude more accurate and significantly extend the total simulation time.

DOI
10.1103/physrevresearch.5.023146

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Hamiltonian simulation is a promising application for quantum computers to achieve a quantum advantage. We present classical algorithms based on tensor network methods to optimize quantum circuits for this task. We show that, compared to Trotter product formulas, the classically optimized circuits can be orders of magnitude more accurate and significantly extend the total simulation time.
Abstract Hamiltonian simulation, i.e. simulating the real time evolution of a target quantum system, is a natural application of quantum computing. Trotter-Suzuki splitting methods can generate corresponding quantum circuits; however, a faithful approximation can lead to relatively deep circuits. Here we start from the insight that for translation invariant systems, the gates in such circuit topologies can be further optimized on classical computers to decrease the circuit depth and/or increase the accuracy. We employ tensor network techniques and devise a method based on the Riemannian trust-region algorithm on the unitary matrix manifold for this purpose. For the Ising and Heisenberg models on a one-dimensional lattice, we achieve orders of magnitude accuracy improvements compared to fourth-order splitting methods. The optimized circuits could also be of practical use for the time-evolving block decimation algorithm.
We describe tensor network algorithms to optimize quantum circuits for adiabatic quantum computing. To suppress diabatic transitions, we include counterdiabatic driving in the optimization and utilize variational matrix product operators to represent adiabatic gauge potentials. Traditionally, Trotter product formulas are used to turn adiabatic time evolution into quantum circuits and the addition of counterdiabatic driving increases the circuit depth per time step. Instead, we classically optimize a parameterized quantum circuit of fixed depth to simultaneously capture adiabatic evolution together with counterdiabatic driving over many time steps. The methods are applied to the ground-state preparation of quantum Ising chains with transverse and longitudinal fields. We show that the classically optimized circuits can significantly outperform Trotter product formulas. Additionally, we discuss how the approach can be used for combinatorial optimization. Published by the American Physical Society 2024
We significantly enhance the simulation accuracy of initial Trotter circuits for Hamiltonian simulation of quantum systems by integrating first-order Riemannian optimization with tensor network methods. Unlike previous approaches, our method imposes no symmetry assumptions, such as translational invariance, on the quantum systems. This technique is scalable to large systems through the use of a matrix product operator representation of the reference time evolution propagator. Our optimization routine is applied to various spin chains and fermionic systems described by the transverse-field Ising Hamiltonian, the Heisenberg Hamiltonian, and the spinful Fermi-Hubbard Hamiltonian. In these cases, our approach achieves a relative error improvement of up to four orders of magnitude for systems of 50 qubits, although our method is also applicable to larger systems. Furthermore, we demonstrate the versatility of our method by applying it to molecular systems, specifically lithium hydride, achieving an error improvement of up to eight orders of magnitude. This proof of concept highlights the potential of our approach for broader applications in quantum simulations.
Hamiltonian simulation on quantum computers is strongly constrained by gate counts, motivating techniques to reduce circuit depths. While tensor networks are natural competitors to quantum computers, we instead leverage them to support circuit design, with datasets of tensor networks enabling a unitary synthesis inspired by quantum machine learning. For a target simulation in the thermodynamic limit, translation invariance is exploited to significantly reduce the optimization complexity, avoiding a scaling with system size. Our approach finds circuits to efficiently prepare ground states, and perform time evolution on both infinite and finite systems with substantially lower gate depths than conventional Trotterized methods. In addition to reducing CNOT depths, we motivate similar utility for fault-tolerant quantum algorithms, with a demonstrated 5.2×5.2\times5.2× reduction in TTT-count to realize e−iHte^{-iHt}e−iHt. The key output of our approach is the optimized unit-cell of a translation invariant circuit. This provides an advantage for Hamiltonian simulation of finite, yet arbitrarily large, systems on real quantum computers.
The advent of near-term digital quantum computers could offer us an exciting opportunity to investigate quantum many-body phenomena beyond that of classical computing. To make the best use of the hardware available, it is paramount that we have methods that accurately simulate Hamiltonian dynamics for limited circuit depths. In this paper, we propose a method to classically optimize unitary brickwall circuits to approximate quantum time evolution operators. Our method is scalable in system size through the use of tensor networks. We demonstrate that, for various three-body Hamiltonians, our approach produces quantum circuits that can outperform trotterization in both their accuracy and the quantum circuit depth needed to implement the dynamics, with the exact details being dependent on the Hamiltonian. We also explain how to choose an optimal time step that minimizes the combined errors of the quantum device and the brickwall circuit approximation. Published by the American Physical Society 2024
Despite the advantage quantum computers are expected to deliver when performing simulations compared to their classical counterparts, the current noisy intermediate-scale quantum (NISQ) devices remain limited in their capabilities. The training of parameterized quantum circuits (PQCs) remains a significant practical challenge, exacerbated by the requirement of shallow circuit depth necessary for their hardware implementation. Hybrid methods employing classical computers alongside quantum devices, such as the Variational Quantum Eigensolver (VQE), have proven useful for analyzing the capabilities of NISQ devices to solve relevant optimization problems. Still, in the simulation of complex structures involving the many-body problem in quantum mechanics, major issues remain about the representation of the system and obtaining results which clearly outperform classical computational devices. In this research contribution we propose the use of parameterized Tensor Networks (TNs) to attempt an improved performance of the VQE algorithm. A joint approach is presented where the Hamiltonian of a system is encapsulated into a Matrix Product Operator (MPO) within a parameterized unitary TN hereby splitting up the optimization task between the TN and the VQE. We show that the hybrid TN-VQE implementation improves the convergence of the algorithm in comparison to optimizing randomly-initialized quantum circuits via VQE.