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arXiv:2304.05126 · PRX Quantum

Statistical Phase Estimation and Error Mitigation on a Superconducting Quantum Processor

Nick S. Blunt, Laura Caune, Róbert Izsák, Earl T. Campbell, Nicole Holzmann

Published Dec 12, 2023• 25 citations
arXivHTMLPDF

Abstract

Quantum phase estimation (QPE) is a key quantum algorithm, which has been widely studied as a method to perform chemistry and solid-state calculations on future fault-tolerant quantum computers.Recently, several authors have proposed statistical alternatives to QPE that have benefits on early faulttolerant devices, including shorter circuits and better suitability for error-mitigation techniques.However, experimental investigations of the algorithm on real quantum processors are lacking.Here, we implement statistical phase estimation on Rigetti's superconducting processors.Specifically, we use a modification of the Lin and Tong [PRX Quantum 3, 010318 (2022)] algorithm with the improved Fourier approximation of Wan et al. [Phys.Rev. Lett.129, 030503 (2022)] and apply a variational-compilation technique to reduce the circuit depth.We then incorporate error-mitigation strategies including zero-noise extrapolation and readout-error mitigation with bit-flip averaging.We propose a new method to estimate energies from the statistical phase estimation data, which is found to improve the accuracy in the final energy estimates by 1-2 orders of magnitude with respect to prior theoretical bounds, reducing the cost of performing accurate phase-estimation calculations.We apply these methods to chemistry problems for active spaces up to four electrons in four orbitals, including the application of a quantum embedding method, and use them to correctly estimate energies within chemical precision.Our work demonstrates that statistical phase estimation has a natural resilience to noise, particularly after mitigating coherent errors, and can achieve far higher accuracy than suggested by previous analysis, demonstrating its potential as a valuable quantum algorithm for early fault-tolerant devices.

DOI
10.1103/prxquantum.4.040341

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Quantum phase estimation (QPE) is a key quantum algorithm, which has been widely studied as a method to perform chemistry and solid-state calculations on future fault-tolerant quantum computers.Recently, several authors have proposed statistical alternatives to QPE that have benefits on early faulttolerant devices, including shorter circuits and better suitability for error-mitigation techniques.However, experimental investigations of the algorithm on real quantum processors are lacking.Here, we implement statistical phase estimation on Rigetti's superconducting processors.Specifically, we use a modification of the Lin and Tong [PRX Quantum 3, 010318 (2022)] algorithm with the improved Fourier approximation of Wan et al. [Phys.Rev. Lett.129, 030503 (2022)] and apply a variational-compilation technique to reduce the circuit depth.We then incorporate error-mitigation strategies including zero-noise extrapolation and readout-error mitigation with bit-flip averaging.We propose a new method to estimate energies from the statistical phase estimation data, which is found to improve the accuracy in the final energy estimates by 1-2 orders of magnitude with respect to prior theoretical bounds, reducing the cost of performing accurate phase-estimation calculations.We apply these methods to chemistry problems for active spaces up to four electrons in four orbitals, including the application of a quantum embedding method, and use them to correctly estimate energies within chemical precision.Our work demonstrates that statistical phase estimation has a natural resilience to noise, particularly after mitigating coherent errors, and can achieve far higher accuracy than suggested by previous analysis, demonstrating its potential as a valuable quantum algorithm for early fault-tolerant devices.
As fully fault-tolerant quantum computers capable of solving useful problems remain a distant goal, we anticipate an era of during which limited error correction is available. We propose a framework for designing early fault-tolerant algorithms by trading between error-correction overhead and residual logical noise, and apply it to quantum phase estimation (QPE). We develop a quantum-Fourier-transform- (QFT) based QPE technique that is robust to global depolarizing noise and outperforms the previous state of the art at low and moderate noise rates. We further introduce the explicitly unbiased maximum-likelihood estimator (EUMLE), a data-processing technique that mitigates errors in QFT-based QPE schemes. EUMLE provides consistent asymptotically normal error-mitigated estimates, addressing the open problem of extending error mitigation beyond expectation-value estimation. Applying this scheme to the ground-state problem of the two-dimensional Hubbard model and various molecular Hamiltonians, we find that we can roughly halve the number of physical qubits with a ∼ 10 times wall-clock time overhead, but that further reduction causes a steep run-time increase. This work provides an end-to-end analysis of early fault-tolerance cost reductions and space-time trade-offs, and identifies which areas can be improved in the future.
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.
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.
Quantum simulation of molecular electronic structure is one of the most promising applications of quantum computing. However, achieving chemically accurate predictions for strongly correlated systems requires quantum phase estimation (QPE) on fault-tolerant quantum computing (FTQC) devices. Existing resource estimates for typical FTQC architectures suggest that such calculations demand millions of physical qubits, thereby placing them beyond the reach of near-term devices. Here, we investigate the feasibility of performing QPE for chemically relevant molecular systems in an early-FTQC regime, characterized by partial fault tolerance, constrained qubit budgets, and limited circuit depth. Our framework is based on single-ancilla, Trotter-based QPE implementations combined with partially randomized time evolution. Within this framework, we develop a novel Hamiltonian optimization strategy, termed unitary weight concentration, that reduces algorithmic cost by reshaping linear-combination-of-unitaries representations. Applying this framework to active-space models of iron-sulfur clusters, cytochrome P450 active sites, and CO2_22​-utilization catalysts, we perform end-to-end resource estimation using the latest version of the space-time efficient analog rotation (STAR) architecture. Our results indicate that ground-state energy estimation for active spaces of approximately 20 to 50 spatial orbitals, well beyond the reach of classical full configuration interaction, is achievable using ∼105\sim 10^5∼105 physical qubits, with runtimes on the order of days to weeks. These findings demonstrate that while full-fledged fault-tolerant quantum computers will be required for even larger molecular simulations, chemically meaningful quantum chemistry problems are already within reach in an experimentally relevant, early-FTQC regime.
A number of exciting recent results have been seen in the field of quantum error correction. These include initial demonstrations of error correction on current quantum hardware and resource estimates which improve understanding of the requirements to run large-scale quantum algorithms for real-world applications. In this work, we bridge the gap between these two developments by performing careful estimation of the resources required to fault-tolerantly perform quantum phase estimation (QPE) on a minimal chemical example. Specifically, we describe a detailed compilation of the QPE circuit to lattice surgery operations for the rotated surface code, for a hydrogen molecule in a minimal basis set. We describe a number of optimizations at both the algorithmic and error correction levels. We find that implementing even a simple chemistry circuit requires 1000 qubits and 2300 quantum error correction rounds, emphasising the need for improved error correction techniques specifically targeting the early fault-tolerant regime. Published by the American Physical Society 2024
We introduce a classical estimator for the post-processing of quantum phase estimation (QPE) data when a single target phase is isolated within a known interval, as is typical of ground state energy estimation of gapped systems. Our estimator filters the QPE signal within this promise region and recovers the phase through a moment-projection routine, which is robust to both external spurious phases and experimental noise. In the noiseless case this achieves an exponential suppression of bias with respect to a naive mean estimator. In the presence of global depolarizing noise the bias is exponentially small in the circuit depth ttt, and the variance is O(t−2F−2)O(t^{-2}F^{-2})O(t−2F−2) for circuit fidelity FFF. This improves by a factor of t2t^2t2 over a naive shifted-and-rescaled-mean approach. To mitigate realistic circuit-level noise, we combine our method with the explicit unbiasing scheme described in [Dutkiewicz et al., 2025]. This yields an overhead interpolating between the F−4F^{-4}F−4 scaling typical of explicitly unbiased error mitigation and a reduced F−2F^{-2}F−2 scaling when the noise samples fall outside the promise interval. We validate our estimators on a small-scale simulation of the Ising model, observing better-than-expected performance for a global depolarizing noise approximation. This robustness to both multiple eigenvalues and realistic noise makes limited-depth phase estimation practical for early fault tolerant quantum experiments.