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arXiv:2212.14144 · Quantum

Improved Accuracy for Trotter Simulations Using Chebyshev Interpolation

Gumaro Rendon, Jacob Watkins, Nathan Wiebe

Published Feb 26, 2024• 21 citations
arXivHTMLPDF

Abstract

Quantum metrology allows for measuring properties of a quantum system at the optimal Heisenberg limit. However, when the relevant quantum states are prepared using digital Hamiltonian simulation, the accrued algorithmic errors will cause deviations from this fundamental limit. In this work, we show how algorithmic errors due to Trotterized time evolution can be mitigated through the use of standard polynomial interpolation techniques. Our approach is to extrapolate to zero Trotter step size, akin to zero-noise extrapolation techniques for mitigating hardware errors. We perform a rigorous error analysis of the interpolation approach for estimating eigenvalues and time-evolved expectation values, and show that the Heisenberg limit is achieved up to polylogarithmic factors in the error. Our work suggests that accuracies approaching those of state-of-the-art simulation algorithms may be achieved using Trotter and classical resources alone for a number of relevant algorithmic tasks.

DOI
10.22331/q-2024-02-26-1266

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Quantum metrology allows for measuring properties of a quantum system at the optimal Heisenberg limit. However, when the relevant quantum states are prepared using digital Hamiltonian simulation, the accrued algorithmic errors will cause deviations from this fundamental limit. In this work, we show how algorithmic errors due to Trotterized time evolution can be mitigated through the use of standard polynomial interpolation techniques. Our approach is to extrapolate to zero Trotter step size, akin to zero-noise extrapolation techniques for mitigating hardware errors. We perform a rigorous error analysis of the interpolation approach for estimating eigenvalues and time-evolved expectation values, and show that the Heisenberg limit is achieved up to polylogarithmic factors in the error. Our work suggests that accuracies approaching those of state-of-the-art simulation algorithms may be achieved using Trotter and classical resources alone for a number of relevant algorithmic tasks.
Product formulas are a popular class of digital quantum simulation algorithms due to their conceptual simplicity, low overhead, and performance, which often exceeds theoretical expectations. Recently, Richardson extrapolation and polynomial interpolation have been proposed to mitigate the Trotter error incurred by the use of these formulas. This work provides a rigorous, general analysis of these techniques for computing time-evolved observables, simplifying the interpolation algorithm in the process, and shows that extrapolation generically improves the performance of product formulas for this task. We demonstrate that, to achieve error ϵ in a simulation of time T using a p th -order product formula with extrapolation, circuit depths of O ( T 1 + 1 / p polylog  ( 1 / ϵ ) ) are sufficient—an exponential improvement in the precision over product formulas alone. Furthermore, we prove that these algorithms achieve commutator scaling, and improve the T complexity for the interpolation algorithm. By relaxing the requirement of performing exact Chebyshev interpolation, our simplified algorithm eliminates the need for fractional implementations of Trotter steps, reducing computational overhead. Finally, we show these techniques can be combined with the classical shadows method to estimate many time-evolved local observables. Taken together, our findings provide the strongest evidence yet for the utility of Trotter error-mitigation techniques in algorithmic applications.
Quantum computers can efficiently simulate many-body systems. As a widely used Hamiltonian simulation tool, the Trotter-Suzuki scheme splits the evolution into the number of Trotter steps NNN and approximates the evolution of each step by a product of exponentials of each individual term of the total Hamiltonian. The algorithmic error due to the approximation can be reduced by increasing NNN, which however requires a longer circuit and hence inevitably introduces more physical errors. In this work, we first study such a trade-off and numerically find the optimal number of Trotter steps Nopt{N}_{\mathrm{opt}}Nopt​ given a physical error model in a near-term quantum hardware. Practically, physical errors can be suppressed using recently proposed error mitigation methods. We then extend physical error mitigation methods to suppress the algorithmic error in Hamiltonian simulation. By exploiting the simulation results with different numbers of Trotter steps $N\ensuremath{\le}{N}_{\mathrm{opt}}$, we can infer the exact simulation result within a higher accuracy and hence mitigate algorithmic errors. We numerically test our scheme with a five-qubit system and show significant improvements in the simulation accuracy by applying both physical and algorithmic error mitigations.
Product-formula Hamiltonian simulation is naturally suited to near-term quantum processors, but its accuracy is set by two competing errors: finite-step Trotter bias and physical hardware noise. We introduce a joint extrapolation strategy that ties the tunable per-layer noise strength to the Trotter step size, λ(s)=c(sT)p+1λ(s)=c(sT)^{p+1}λ(s)=c(sT)p+1 for a ppp-th order product formula. Along this one-dimensional path, the leading physical-noise and Trotter corrections over the full evolution both enter at order sps^psp and can be canceled by a single Richardson extrapolation. Building on a previously established finite-order Baker--Campbell--Hausdorff truncation bound, we derive a provably commutator-scaling resource guarantee for the joint extrapolation. For local Hamiltonians with local Lindbladian noise, the protocol mitigates physical noise together with Trotter error with only a constant asymptotic overhead relative to noiseless Trotter extrapolation, provided the required noise strengths lie above the intrinsic device-noise floor. We experimentally demonstrate the protocol for Ising dynamics on a superconducting quantum computer using learned noise amplification. Complementary 100-qubit Sparse Pauli Dynamics (SPD) simulations achieve comparable accuracy to two-dimensional Richardson extrapolation with fewer circuit settings.
Zero-noise extrapolation (ZNE) is a widely used quantum error mitigation technique that artificially amplifies circuit noise and then extrapolates the results to the noise-free circuit. A common ZNE approach is Richardson extrapolation, which relies on polynomial interpolation. Despite its simplicity, efficient implementations of Richardson extrapolation face several challenges, including approximation errors from the non-polynomial behavior of noise channels, overfitting due to polynomial interpolation, and exponentially amplified measurement noise. This paper provides a comprehensive analysis of these challenges, presenting bias and variance bounds that quantify approximation errors. Additionally, for any precision ε , our results offer an estimate of the necessary sample complexity. We further extend the analysis to polynomial least squares-based extrapolation, which mitigates measurement noise and avoids overfitting. Finally, we propose a strategy for simultaneously mitigating circuit and algorithmic errors in the Trotter-Suzuki algorithm by jointly scaling the time step size and the noise level. This strategy provides a practical tool to enhance the reliability of near-term quantum computations. We support our theoretical findings with numerical experiments.
Trotter product formulas are a leading approach for Hamiltonian simulation on quantum computers, yet their practical performance has remained difficult to assess due to the challenge of accurately estimating the Trotter error. In this work, we develop new theoretical results, algorithms, and software tools that advance the state-of-the-art in Trotter error estimation by orders of magnitude in both scale and accuracy. On the theoretical side, we prove that in the asymptotic limit the error of a product formula depends on the diagonal elements of the Baker-Campbell-Hausdorff (BCH) error operator in the eigenbasis of the Hamiltonian, rather than its full spectral norm -- yielding an improved scaling for Hamiltonian simulation using product formulas. On the algorithmic side, we introduce a compact representation of the BCH expansion that reduces the number of commutators from O(n3)\mathcal{O}(n^3)O(n3) to O(n)\mathcal{O}(n)O(n) for second-order, and from O(n5)\mathcal{O}(n^5)O(n5) to O(n2)\mathcal{O}(n^2)O(n2) for fourth-order formulas on nnn fragments, complemented by an importance sampling scheme to further reduce the computational cost. We provide implementations of these techniques in software and demonstrate their power on two applications: (i) X-ray absorption spectroscopy of an electronic Hamiltonian (Li4_44​Mn2_22​O) at up to 56 qubits using tensor networks; and (ii) vibronic dynamics of naphthalene at over 100 qubits using ML-MCTDH, where we find that naive analytical bounds overestimate the required number of Trotter steps by nearly five orders of magnitude. Our framework enables, for the first time, the accurate estimation of Trotter error at practically relevant system sizes, providing a foundation for fair algorithmic comparisons and rational design of product formulas.
Fault-tolerant quantum computers promise the simulation of complex quantum systems beyond the reach of classical computation. In contrast, current noisy intermediate-scale quantum devices are constrained by hardware noise. Consequently, quantum simulation methods remain limited in their near-term applicability. Two prominent techniques addressing these challenges are zero-noise extrapolation (ZNE) and incremental structural learning (ISL). In this work, ZNE and ISL are benchmarked for simulating the Trotterized time evolution of two models: the Tavis-Cummings model (TCM) and the Heisenberg spin chain (HSC), using a classically simulated noisy hardware backend. The methods are evaluated on the basis of the accuracy of expectation values relative to noiseless simulations and their resource demands such as circuit depths and shot counts. The impact of noise on optimization routines in ISL, previously underexplored, is also investigated. Results indicate that ISL performs more favorably in HSC systems, consistently surpassing ZNE in expectation value accuracy. Conversely, for the TCM, ISL generally yields lower accuracies despite reduced Trotter circuit depths, with weak interactions often leading to pronounced phase lags or flat expectation curves. Notably, when performing ISL optimization under noiseless conditions, the protocol is generally able to reduce dephasing errors, but average accuracies still vary on the simulated Hamiltonian. Our findings highlight the sensitivity of quantum simulation protocols to the structure of the Hamiltonian encoding system dynamics. Trends across systems suggest that ISL optimization benefits from Trotter circuits with stronger interactions, and that ansatz construction favors isotropic couplings. Moreover, although ISL introduces approximation errors, it demonstrates greater robustness than ZNE in systems with deeper Trotter circuits.