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arXiv:2211.11973 · PRX Quantum

Even Shorter Quantum Circuit for Phase Estimation on Early Fault-Tolerant Quantum Computers with Applications to Ground-State Energy Estimation

Zhiyan Ding, Lin Lin

Published May 26, 2023• 80 citations
arXivHTMLPDF

Abstract

We develop a phase-estimation method with a distinct feature: its maximal run time (which determines the circuit depth) is δ/ , where is the target precision, and the preconstant δ can be arbitrarily close to 0 as the initial state approaches the target eigenstate.The total cost of the algorithm satisfies the Heisenberg-limited scaling O( -1 ).As a result, our algorithm may significantly reduce the circuit depth for performing phase-estimation tasks on early fault-tolerant quantum computers.The key technique is a simple subroutine called quantum complex exponential least squares (QCELS).Our algorithm can be readily applied to reduce the circuit depth for estimating the ground-state energy of a quantum Hamiltonian, when the overlap between the initial state and the ground state is large.If this initial overlap is small, we can combine our method with the Fourier-filtering method developed in [Lin and Tong, PRX Quantum 3, 010318, 2022], and the resulting algorithm provably reduces the circuit depth in the presence of a large relative overlap compared to .The relative-overlap condition is similar to a spectral-gap assumption but it is aware of the information in the initial state and is therefore applicable to certain Hamiltonians with small spectral gaps.We observe that the circuit depth can be reduced by around 2 orders of magnitude in numerical experiments under various settings.

DOI
10.1103/prxquantum.4.020331

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We develop a phase-estimation method with a distinct feature: its maximal run time (which determines the circuit depth) is δ/ , where is the target precision, and the preconstant δ can be arbitrarily close to 0 as the initial state approaches the target eigenstate.The total cost of the algorithm satisfies the Heisenberg-limited scaling O( -1 ).As a result, our algorithm may significantly reduce the circuit depth for performing phase-estimation tasks on early fault-tolerant quantum computers.The key technique is a simple subroutine called quantum complex exponential least squares (QCELS).Our algorithm can be readily applied to reduce the circuit depth for estimating the ground-state energy of a quantum Hamiltonian, when the overlap between the initial state and the ground state is large.If this initial overlap is small, we can combine our method with the Fourier-filtering method developed in [Lin and Tong, PRX Quantum 3, 010318, 2022], and the resulting algorithm provably reduces the circuit depth in the presence of a large relative overlap compared to .The relative-overlap condition is similar to a spectral-gap assumption but it is aware of the information in the initial state and is therefore applicable to certain Hamiltonians with small spectral gaps.We observe that the circuit depth can be reduced by around 2 orders of magnitude in numerical experiments under various settings.
We introduce a multi-modal, multi-level quantum complex exponential least squares (MM-QCELS) method to simultaneously estimate multiple eigenvalues of a quantum Hamiltonian on early fault-tolerant quantum computers. Our theoretical analysis demonstrates that the algorithm exhibits Heisenberg-limited scaling in terms of circuit depth and total cost. Notably, the proposed quantum circuit utilizes just one ancilla qubit, and with appropriate initial state conditions, it achieves significantly shorter circuit depths compared to circuits based on quantum phase estimation (QPE). Numerical results suggest that compared to QPE, the circuit depth can be reduced by around two orders of magnitude under several settings for estimating ground-state and excited-state energies of certain quantum systems.
Under suitable assumptions, the quantum-phase-estimation (QPE) algorithm is able to achieve Heisenberg-limited precision scaling in estimating the ground-state energy.However, QPE requires a large number of ancilla qubits and a large circuit depth, as well as the ability to perform inverse quantum Fourier transform, making it expensive to implement on an early fault-tolerant quantum computer.We propose an alternative method to estimate the ground-state energy of a Hamiltonian with Heisenberglimited precision scaling, which employs a simple quantum circuit with one ancilla qubit, and a classical postprocessing procedure.Besides the ground-state energy, our algorithm also produces an approximate cumulative distribution function of the spectral measure, which can be used to compute other spectral properties of the Hamiltonian.
Significant effort in applied quantum computing has been devoted to the problem of ground state energy estimation for molecules and materials. Yet, for many applications of practical value, additional properties of the ground state must be estimated. These include Green's functions used to compute electron transport in materials and the one-particle reduced density matrices used to compute electric dipoles of molecules. In this paper, we propose a quantum-classical hybrid algorithm to efficiently estimate such ground state properties with high accuracy using low-depth quantum circuits. We provide an analysis of various costs (circuit repetitions, maximal evolution time, and expected total runtime) as a function of target accuracy, spectral gap, and initial ground state overlap. This algorithm suggests a concrete approach to using early fault tolerant quantum computers for carrying out industry-relevant molecular and materials calculations.
We present several refinements and extensions of the statistical quantum phase estimation (SQPE) framework to address some of its key practical limitations, improving its applicability to realistic cases. Recently, a family of statistical approaches for QPE have been proposed where each run uses only a few ancillae and shorter circuits than standard QPE and thus is better suited for early fault-tolerant quantum computers that are qubit-and depth-limited. SQPE method within that family estimates the cumulative distribution function (CDF) associated with spectral density of the Hamiltonian for a given trial state by using its Fourier approximation and then identifies the first jump discontinuity of the CDF to determine the ground state energy (GSE) of the Hamiltonian. It relies on random compilation procedure based on linear combination of unitaries (LCU) decomposition of the Hamiltonian assuming positive Pauli weights and requires a good estimate of lower bound on the overlap between the trial and true ground state, both of which may be difficult to achieve in practice. We address these limitations by generalizing the random compilation procedure for negative Pauli weights and employing a changepoint detection method for determining GSE which does not rely on an estimate of this overlap. We also show that by exploiting symmetry of the Fourier series one can reduce number of circuit runs/samples by a factor of 2x while keeping the GSE estimation accuracy the same. We illustrate these new developments numerically via a quantum simulator in Qiskit.
A milestone in the field of quantum computing will be solving problems in quantum chemistry and materials faster than state-of-the-art classical methods. The current understanding is that achieving quantum advantage in this area will require some degree of fault tolerance. While hardware is improving towards this milestone, optimizing quantum algorithms also brings it closer to the present. Existing methods for ground state energy estimation are costly in that they require a number of gates per circuit that grows exponentially with the desired number of bits in precision. We reduce this cost exponentially, by developing a ground state energy estimation algorithm for which this cost grows linearly in the number of bits of precision. Relative to recent resource estimates of ground state energy estimation for the industrially-relevant molecules of ethylene-carbonate and PF 6 − , the estimated gate count and circuit depth is reduced by a factor of 43 and 78, respectively. Furthermore, the algorithm can use additional circuit depth to reduce the total runtime. These features make our algorithm a promising candidate for realizing quantum advantage in the era of early fault-tolerant quantum computing.
Under suitable assumptions, the algorithms in [Lin, Tong, Quantum 2020] can estimate the ground state energy and prepare the ground state of a quantum Hamiltonian with near-optimal query complexities. However, this is based on a block encoding input model of the Hamiltonian, whose implementation is known to require a large resource overhead. We develop a tool called quantum eigenvalue transformation of unitary matrices with real polynomials (QET-U), which uses a controlled Hamiltonian evolution as the input model, a single ancilla qubit and no multi-qubit control operations, and is thus suitable for early fault-tolerant quantum devices. This leads to a simple quantum algorithm that outperforms all previous algorithms with a comparable circuit structure for estimating the ground state energy. For a class of quantum spin Hamiltonians, we propose a new method that exploits certain anti-commutation relations and further removes the need of implementing the controlled Hamiltonian evolution. Coupled with Trotter based approximation of the Hamiltonian evolution, the resulting algorithm can be very suitable for early fault-tolerant quantum devices. We demonstrate the performance of the algorithm using IBM Qiskit for the transverse field Ising model. If we are further allowed to use multi-qubit Toffoli gates, we can then implement amplitude amplification and a new binary amplitude estimation algorithm, which increases the circuit depth but decreases the total query complexity. The resulting algorithm saturates the near-optimal complexity for ground state preparation and energy estimating using a constant number of ancilla qubits (no more than 3).