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arXiv:2303.15667 · Physical Review Research

Computation of Green's function by local variational quantum compilation

Shota Kanasugi, Shoichiro Tsutsui, Yuya O. Nakagawa, Kazunori Maruyama, Hirotaka Oshima, Shintaro Sato

Published Aug 1, 2023• 8 citations
arXivHTMLPDF

Abstract

Computation of the Green's function is crucial to study the properties of quantum many-body systems such as strongly correlated systems. Although the high-precision calculation of the Green's function is a notoriously challenging task on classical computers, the development of quantum computers may enable us to compute the Green's function with high accuracy even for classically-intractable large-scale systems. Here, we propose an efficient method to compute the real-time Green's function based on the local variational quantum compilation (LVQC) algorithm, which simulates the time evolution of a large-scale quantum system using a low-depth quantum circuit constructed through optimization on a smaller-size subsystem. Our method requires shallow quantum circuits to calculate the Green's function and can be utilized on both near-term noisy intermediate-scale and long-term fault-tolerant quantum computers depending on the computational resources we have. We perform a numerical simulation of the Green's function for the one- and two-dimensional Fermi-Hubbard model up to $4\ifmmode\times\else\texttimes\fi{}4$ sites lattice (32 qubits) and demonstrate the validity of our protocol compared to a standard method based on the Trotter decomposition. We finally present a detailed estimation of the gate count for the large-scale Fermi-Hubbard model, which also illustrates the advantage of our method over the Trotter decomposition.

DOI
10.1103/physrevresearch.5.033070

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Computation of the Green's function is crucial to study the properties of quantum many-body systems such as strongly correlated systems. Although the high-precision calculation of the Green's function is a notoriously challenging task on classical computers, the development of quantum computers may enable us to compute the Green's function with high accuracy even for classically-intractable large-scale systems. Here, we propose an efficient method to compute the real-time Green's function based on the local variational quantum compilation (LVQC) algorithm, which simulates the time evolution of a large-scale quantum system using a low-depth quantum circuit constructed through optimization on a smaller-size subsystem. Our method requires shallow quantum circuits to calculate the Green's function and can be utilized on both near-term noisy intermediate-scale and long-term fault-tolerant quantum computers depending on the computational resources we have. We perform a numerical simulation of the Green's function for the one- and two-dimensional Fermi-Hubbard model up to 4\ifmmode×\else\texttimes\fi44\ifmmode\times\else\texttimes\fi{}44\ifmmode×\else\texttimes\fi4 sites lattice (32 qubits) and demonstrate the validity of our protocol compared to a standard method based on the Trotter decomposition. We finally present a detailed estimation of the gate count for the large-scale Fermi-Hubbard model, which also illustrates the advantage of our method over the Trotter decomposition.
Simulation of quantum many-body systems is one of the most promising applications of quantum computers. It is crucial to efficiently implement the time-evolution operator as a quantum circuit to execute such simulations on near-term quantum computing devices with limited computational resources. However, standard approaches such as Trotterization sometimes require a deep quantum circuit, which is hard to implement on near-term quantum computers. Here, we propose a hybrid quantum-classical algorithm, called local subspace variational quantum compilation (LSVQC), for compiling the time-evolution operator of quantum many-body systems. The LSVQC performs a variational optimization to reproduce the action of the target time-evolution operator within a physically reasonable subspace. The optimization is performed for small local subsystems based on the Lieb-Robinson bound, which allows us to execute the cost function evaluation using small-scale quantum devices and/or classical computers. We demonstrate the validity of the LSVQC algorithm through numerical simulations of a simple spin-lattice model and an effective model of a parent compound of cuprate superconductors, Sr 2 CuO 3 , constructed by the downfolding method. It is shown that the LSVQC achieves a 95% reduction of the circuit depth for simulating quantum many-body dynamics compared to the Trotterization at best while maintaining the same computational accuracy. We also demonstrate that the restriction to a subspace leads to a substantial reduction of required resources and improved accuracy compared to the case of considering the entire Hilbert space. Furthermore, we estimate the gate count needed to execute the quantum simulations using the LSVQC on near-term quantum computing architectures in the noisy intermediate-scale or early fault-tolerant quantum computing era. Our estimation suggests that the acceptable physical gate error rate for the LSVQC can be about one order of magnitude larger than that for the Trotterization.
Implementing time evolution operators on quantum circuits is important for quantum simulation. However, the standard way, Trotterization, requires a huge numbers of gates to achieve desirable accuracy. Here, we propose a local variational quantum compilation (LVQC) algorithm, which allows to accurately and efficiently compile a time evolution operators on a large-scale quantum system by the optimization with smaller-size quantum systems. LVQC utilizes a subsystem cost function, which approximates the fidelity of the whole circuit, defined for each subsystem as large as approximate causal cones brought by the Lieb-Robinson (LR) bound. We rigorously derive its scaling property with respect to the subsystem size, and show that the optimization conducted on the subsystem size leads to the compilation of whole-system time evolution operators. As a result, LVQC runs with limited-size quantum computers or classical simulators that can handle such smaller quantum systems. For instance, finite-ranged and short-ranged interacting LLL-size systems can be compiled with O(L0)O(L^0)O(L0)- or O(log⁡L)O(\log L)O(logL)-size quantum systems depending on observables of interest. Furthermore, since this formalism relies only on the LR bound, it can efficiently construct time evolution operators of various systems in generic dimension involving finite-, short-, and long-ranged interactions. We also numerically demonstrate the LVQC algorithm for one-dimensional systems. Employing classical simulation by time-evolving block decimation, we succeed in compressing the depth of a time evolution operators up to 404040 qubits by the compilation for 202020 qubits. LVQC not only provides classical protocols for designing large-scale quantum circuits, but also will shed light on applications of intermediate-scale quantum devices in implementing algorithms in larger-scale quantum devices.
We present an algorithm to compute Green's functions on quantum computers for interacting electron systems, which is a challenging task on conventional computers. It uses a continued fraction representation based on the Lanczos method, where the wave functions are expanded as linear combination of basis states within a quantum subspace. While on conventional computers the cost of the computation grows exponentially with system size, limiting the method to small systems, by representing the basis states on a quantum computer one may overcome this exponential scaling barrier. We propose a two-level multigrid Trotter time evolution for an efficient preparation of the basis states in a quantum circuit, which takes advantage of the robustness of the subspace expansion against Trotter errors. Using a quantum emulator we demonstrate the algorithm for the Hubbard model on a Bethe lattice with infinite coordination, which we map to a 16 qubit Anderson impurity model within the dynamical mean field theory. Our algorithm computes the Green's function accurately for both the metallic and Mott insulating regimes, with a circuit depth several orders of magnitude below what has been proposed using time evolution. The two-level multigrid time evolution reduces the number of Trotter steps required to compute the Green's function to about four to six. We therefore expect that the method can be used on near term quantum computers for moderate system sizes, while allowing for scalability to larger circuit depths and qubit numbers on future fault tolerant quantum computers.
Simulating the time evolution of quantum systems is a classically challenging and often intractable task due to the exponential scaling of its constituent operators. This scaling makes it a promising application for quantum computation, especially for correlated systems. Constructing an approximate time evolution operator can be done using the Trotter-Suzuki decomposition with an error that scales at most polynomially in the target simulation time and can be decreased at the cost of longer circuit depth. Variational approaches to classically optimize this approximation have shown significant improvement in accuracy for large quantum systems in both gate count and accuracy by several orders of magnitude. However, it is unclear if a similar improvement can be obtained for strongly correlated systems. We extend this variational approach to two example systems with strong correlations: a one-dimensional Fermi-Hubbard chain and an extended Fermi-Hubbard chain. The encoding between qubits and fermionic modes in these systems is generally nonlocal and so we propose an encoding scheme for these Hamiltonians with minimal overall operator distance between nearest neighbor connected qubits. We demonstrate that this variational method grants a similarly strong improvement in both gate count and accuracy and examine the performance of these optimized gate sequences using realistic noise models to estimate their performance on noisy quantum hardware. Finally, we discuss an approach to combine the optimized nonlocal gates of small chains to larger systems without the need for additional computational resources.
Abstract The Green’s function has been an indispensable tool to study many-body systems that remain one of the biggest challenges in modern quantum physics for decades. The complicated calculation of the Green’s function impedes the research of many-body systems. The appearance of the noisy intermediate-scale quantum devices and quantum–classical hybrid algorithm inspire a new method to calculate the Green’s function. Here we design a programmable quantum circuit for photons with utilizing the polarization and the path degrees of freedom to construct a highly-precise variational quantum state of a photon, and first report the experimental realization for calculating the Green’s function of the two-site fermionic Hubbard model, a prototypical model for strongly-correlated materials, in photonic systems. We run the variational quantum eigensolver to obtain the ground state and excited states of the model, and then evaluate the transition amplitudes among the eigenstates. The experimental results present the spectral function of the Green’s function, which agrees well with exact results. Our demonstration provides the further possibility of the photonic system in quantum simulation and applications in solving complicated problems in many-body systems, biological science and so on.
Simulating time evolution of quantum systems is one of the most promising applications of quantum computing and also appears as a subroutine in many applications such as Green's function methods. In the current era of NISQ machines we assess the state of algorithms for simulating time dynamics with limited resources. We propose the Jaynes-Cummings model and extensions to it as useful toy models to investigate time evolution algorithms on near-term quantum computers. Using these simple models, direct Trotterisation of the time evolution operator produces deep circuits, requiring coherence times out of reach on current NISQ hardware. Therefore we test two alternative responses to this problem: variational compilation of the time evolution operator, and variational quantum simulation of the wavefunction ansatz. We demonstrate numerically to what extent these methods are successful in time evolving this system. The costs in terms of circuit depth and number of measurements are compared quantitatively, along with other drawbacks and advantages of each method. We find that computational requirements for both methods make them suitable for performing time evolution simulations of our models on NISQ hardware. Our results also indicate that variational quantum compilation produces more accurate results than variational quantum simulation, at the cost of a larger number of measurements.