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arXiv:1808.03623 · Physical Review A

Mitigating algorithmic errors in a Hamiltonian simulation

Suguru Endo, Qi Zhao, Ying Li, Simon C. Benjamin, Xiao Yuan

Published Jan 18, 2019• 72 citations
arXivHTMLPDF

Abstract

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 $N$ 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 $N$, 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 ${N}_{\mathrm{opt}}$ 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.

DOI
10.1103/physreva.99.012334

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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≤NoptN\ensuremath{\le}{N}_{\mathrm{opt}}N\ensuremath≤Nopt​, 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.
Simulating real-time dynamics under a Hamiltonian is a central goal of quantum information science. While numerous Hamiltonian-simulation quantum algorithms have been proposed, the effects of physical noise have rarely been incorporated into their performance analysis, despite the non-negligible noise levels of quantum devices. We present an end-to-end complexity analysis of noisy Hamiltonian simulation combined with quantum error mitigation (QEM) to answer how many circuit runs are required to reach a given target accuracy. Because the QEM sampling overhead grows exponentially with the circuit depth while the algorithmic error decreases with it, the circuit depth becomes an optimization variable, and we derive an analytic depth-selection rule for two algorithm families. For the order-kkk Suzuki--Trotter formula, the optimized cost exhibits a critical error εcε_cεc​, below which the required number of circuit runs grows exponentially. QEM improves the noise dependence of εcε_cεc​ from sublinear to kkkth-power scaling, an exponent improvement by a factor of k+1k+1k+1. For randomized-LCU-based simulation, optimizing the repetition number yields a square-root improvement in the simulation-time dependence of the sampling-overhead exponent over the standard parameter choice. We further quantify the noise-characterization cost required for error mitigation via gate set tomography and the recently proposed space-time noise inversion method, showing that the latter can significantly reduce this cost.
Understanding the dynamics of quantum systems is crucial in many areas of physics, but simulating many-body systems presents significant challenges due to the large Hilbert space to navigate and the exponential growth of computational overhead. Quantum computers offer a promising platform to overcome these challenges, particularly for simulating the time evolution with Hamiltonians. Trotterization is a widely used approach among available algorithms in this regard, and well suited for near-term quantum devices. However, it introduces algorithmic Trotter errors due to the non-commutativity of Hamiltonian components. Several techniques such as multi-product formulas have been developed to mitigate Trotter errors, but often require deep quantum circuits, which can introduce additional physical errors. In this work, we propose a resource-efficient scheme to reduce the algorithmic Trotter error with relatively shallow circuit depth. We develop a profiling method by introducing an auxiliary parameter to estimate the error effects in expectation values, enabling significant error suppression with a fixed number of Trotter steps. Our approach offers an efficient way of quantum simulation on near-term quantum processors with shallow circuits.
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.
Quantum simulation is a promising way toward practical quantum advantage, but noise in current quantum hardware poses a significant obstacle. We prove that not only the physical error but also the algorithmic error in a single Trotter step decreases exponentially with the circuit depth. This theoretical finding is validated by our numerical results over various Hamiltonians, initial states, and noise channels. Furthermore, we derive the optimal number of Trotter steps and the noise requirement to guarantee total simulation precision. To explicitly show the requirements for robust quantum simulation, we plot a phase diagram of the accumulated error in terms of circuit depth and noise rate. At last, we demonstrate that our improved error analysis leads to significant resourcesaving for fault-tolerant Trotter circuits. By addressing these aspects, this work provides fresh and systematic insight on the practical quantum advantage through quantum simulation.
Digital quantum simulation of many-body dynamics faces a tension between algorithmic Trotter error and physical noise that accumulates with circuit depth. Typical higher-order product formulas mitigate the algorithmic error at the cost of deeper circuits. Our benchmark shows that, within the limited physical error budget, the feasible advantage is confined to absolute errors well below the 10−210^{-2}10−2 scale, which vanishes under noise levels of current quantum hardware. In sharp contrast to the previous Trotter error mitigation methods, we introduce a constant-depth multi-product formula (cd-MPF) that suppresses the Trotter error by combining multiple circuits at fixed circuit depth. We identify an auxiliary parameter ααα, which reshapes the Trotter error terms while leaving the target evolution invariant. The classical linear combination of the measured expectation values cancels the leading (Δt)2(Δt)^{2}(Δt)2 algorithmic contribution and steepens the Trotter-error scaling with the two-qubit circuit depth ddd from d−2d^{-2}d−2 to d−4d^{-4}d−4. Combined with physical-noise mitigation, our method can serve as a key ingredient for realizing long-time quantum dynamics simulation on near-term hardware.
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.