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arXiv:2006.09415 · Quantum

Accelerated variational algorithms for digital quantum simulation of many-body ground states

Chufan Lyu, Víctor Montenegro, Abolfazl Bayat

Published Sep 16, 2020• 25 citations
arXivHTMLPDF

Abstract

One of the key applications for the emerging quantum simulators is to emulate the ground state of many-body systems, as it is of great interest in various fields from condensed matter physics to material science. Traditionally, in an analog sense, adiabatic evolution has been proposed to slowly evolve a simple Hamiltonian, initialized in its ground state, to the Hamiltonian of interest such that the final state becomes the desired ground state. Recently, variational methods have also been proposed and realized in quantum simulators for emulating the ground state of many-body systems. Here, we first provide a quantitative comparison between the adiabatic and variational methods with respect to required quantum resources on digital quantum simulators, namely the depth of the circuit and the number of two-qubit quantum gates. Our results show that the variational methods are less demanding with respect to these resources. However, they need to be hybridized with a classical optimization which can converge slowly. Therefore, as the second result of the paper, we provide two different approaches for speeding the convergence of the classical optimizer by taking a good initial guess for the parameters of the variational circuit. We show that these approaches are applicable to a wide range of Hamiltonian and provide significant improvement in the optimization procedure.

DOI
10.22331/q-2020-09-16-324

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One of the key applications for the emerging quantum simulators is to emulate the ground state of many-body systems, as it is of great interest in various fields from condensed matter physics to material science. Traditionally, in an analog sense, adiabatic evolution has been proposed to slowly evolve a simple Hamiltonian, initialized in its ground state, to the Hamiltonian of interest such that the final state becomes the desired ground state. Recently, variational methods have also been proposed and realized in quantum simulators for emulating the ground state of many-body systems. Here, we first provide a quantitative comparison between the adiabatic and variational methods with respect to required quantum resources on digital quantum simulators, namely the depth of the circuit and the number of two-qubit quantum gates. Our results show that the variational methods are less demanding with respect to these resources. However, they need to be hybridized with a classical optimization which can converge slowly. Therefore, as the second result of the paper, we provide two different approaches for speeding the convergence of the classical optimizer by taking a good initial guess for the parameters of the variational circuit. We show that these approaches are applicable to a wide range of Hamiltonian and provide significant improvement in the optimization procedure.
Adiabatic quantum computing enables the preparation of many-body ground states. Realization poses major experimental challenges: Direct analog implementation requires complex Hamiltonian engineering, while the digitized version needs deep quantum gate circuits. To bypass these obstacles, we suggest an adiabatic variational hybrid algorithm, which employs short quantum circuits and provides a systematic quantum adiabatic optimization of the circuit parameters. The quantum adiabatic theorem promises not only the ground state but also that the excited eigenstates can be found. We report the first experimental demonstration that many-body eigenstates can be efficiently prepared by an adiabatic variational algorithm assisted with a multiqubit superconducting coprocessor. We track the real-time evolution of the ground and excited states of transverse-field Ising spins with a fidelity that can reach about 99%.
The ground state properties of quantum many-body systems are a subject of interest across chemistry, materials science, and physics. Thus, algorithms for finding ground states can have broad impacts. Variational quantum algorithms are one class of ground state algorithms that has received significant attention in recent years. These algorithms utilize a hybrid quantum-classical computing framework to prepare ground states on quantum computers. However, this requires solving a classical optimization problem that can become prohibitively expensive in high dimensions. Here, we develop formulations of feedback-based quantum algorithms for ground state preparation that can be used to address this challenge for two broad classes of Hamiltonians: Fermi-Hubbard Hamiltonians, and molecular Hamiltonians represented in second quantization. Feedback-based quantum algorithms are optimization-free; in place of classical optimization, quantum circuit parameters are set according to a deterministic feedback law derived from quantum Lyapunov control principles. This feedback law guarantees a monotonic improvement in solution quality with respect to the depth of the quantum circuit. A variety of numerical illustrations are provided that analyze the convergence and robustness of feedback-based quantum algorithms for these problem classes. Published by the American Physical Society 2024
Near-term quantum simulators are mostly based on qubit-based architectures. However, their imperfect nature significantly limits their practical application. The situation is even worse for simulating fermionic systems, which underlie most of material science and chemistry, as one has to adopt fermion-to-qubit encodings which create significant additional resource overhead and trainability issues. Thanks to recent advances in trapping and manipulation of neutral atoms in optical tweezers, digital fermionic quantum simulators are becoming viable. A key question is whether these emerging fermionic simulators can outperform qubit-based simulators for characterizing strongly correlated electronic systems. Here we perform a comprehensive comparison of resource efficiency between qubit and fermionic simulators for variational ground-state emulation of fermionic systems in both condensed matter systems and quantum chemistry problems. We show that the fermionic simulators indeed outperform their qubit counterparts with respect to resources for quantum evolution (circuit depth) as well as classical optimization (number of required parameters and iterations). In addition, they show less sensitivity to the random initialization of the circuit. The relative advantage of fermionic simulators becomes even more pronounced as interaction becomes stronger, or tunneling is allowed in more than one dimension, as well as for spinful fermions. Importantly, this improvement is scalable, i.e., the performance gap between fermionic and qubit simulators only grows for bigger system sizes.
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Quantum computing promises to efficiently and accurately solve many important problems in quantum chemistry which elude classical solvers, such as the electronic structure problem of highly correlated materials. Two leading methods in solving the ground state problem are the Variational Quantum Eigensolver (VQE) and Adiabatic Quantum Computing (AQC) algorithms. VQE often struggles with convergence due to the energy landscape being highly non-convex and the existence of barren plateaux, and implementing AQC is beyond the capabilities of current quantum devices as it requires deep circuits. Adiabatically-inspired algorithms aim to fill this gap. In this paper, we first present a unifying framework for these algorithms and then benchmark the following methods: the Adiabatically Assisted VQE (AAVQE) (Garcia-Saez and Latorre (2018)), the Variational Adiabatic Quantum Computing (VAQC) (Harwood et al (2022)), and the Adiabatic Quantum Computing with Parametrized Quantum Circuits (AQC-PQC) (Kolotouros et al (2025)) algorithms. Second, we introduce a novel hybrid approach termed G-AQC-PQC, which generalizes the AQC-PQC method, and combines adiabatic-inspired initialization with the low-memory BFGS optimizer, reducing the quantum computational cost of the method. Third, we compare the accuracy of the methods for chemistry applications using the beryllium hydride molecule (BeH2_22​). We compare the approaches across a number of different choices (ansätze types, depth, discretization steps, initial Hamiltonian, adiabatic schedules and method used). Our results show that the G-AQC-PQC outperforms conventional VQE. We further discuss limitations such as the zero-gradient problem and identify regimes where adiabatically-inspired methods offer a tangible advantage for near-term quantum chemistry applications.
Abstract Current quantum simulators suffer from multiple limitations such as short coherence time, noisy operations, faulty readout and restricted qubit connectivity in some platforms. Variational quantum algorithms are the most promising approach in near-term quantum simulation to achieve practical quantum advantage over classical computers. Here, we explore variational quantum algorithms, with different levels of qubit connectivity, for digital simulation of the ground state of long-range interacting systems as well as generation of spin squeezed states. We find that as the interaction becomes more long-ranged, the variational algorithms become less efficient, achieving lower fidelity and demanding more optimization iterations. In particular, when the system is near its criticality the efficiency is even lower. Increasing the connectivity between distant qubits improves the results, even with less quantum and classical resources. Our results show that by mixing circuit layers with different levels of connectivity one can sensibly improve the performance. Interestingly, the order of layers becomes very important and grouping the layers with long-distance connectivity at the beginning of the circuit outperforms other permutations. The same design of circuits can also be used to variationally produce spin squeezed states, as a resource for quantum metrology.