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arXiv:2212.05952 · Quantum

Importance sampling for stochastic quantum simulations

Oriel Kiss, Michele Grossi, Alessandro Roggero

Published Apr 13, 2023• 17 citations
arXivHTMLPDF

Abstract

Simulating many-body quantum systems is a promising task for quantum computers. However, the depth of most algorithms, such as product formulas, scales with the number of terms in the Hamiltonian, and can therefore be challenging to implement on near-term, as well as early fault-tolerant quantum devices. An efficient solution is given by the stochastic compilation protocol known as qDrift, which builds random product formulas by sampling from the Hamiltonian according to the coefficients. In this work, we unify the qDrift protocol with importance sampling, allowing us to sample from arbitrary probability distributions, while controlling both the bias, as well as the statistical fluctuations. We show that the simulation cost can be reduced while achieving the same accuracy, by considering the individual simulation cost during the sampling stage. Moreover, we incorporate recent work on composite channel and compute rigorous bounds on the bias and variance, showing how to choose the number of samples, experiments, and time steps for a given target accuracy. These results lead to a more efficient implementation of the qDrift protocol, both with and without the use of composite channels. Theoretical results are confirmed by numerical simulations performed on a lattice nuclear effective field theory.

DOI
10.22331/q-2023-04-13-977

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Simulating many-body quantum systems is a promising task for quantum computers. However, the depth of most algorithms, such as product formulas, scales with the number of terms in the Hamiltonian, and can therefore be challenging to implement on near-term, as well as early fault-tolerant quantum devices. An efficient solution is given by the stochastic compilation protocol known as qDrift, which builds random product formulas by sampling from the Hamiltonian according to the coefficients. In this work, we unify the qDrift protocol with importance sampling, allowing us to sample from arbitrary probability distributions, while controlling both the bias, as well as the statistical fluctuations. We show that the simulation cost can be reduced while achieving the same accuracy, by considering the individual simulation cost during the sampling stage. Moreover, we incorporate recent work on composite channel and compute rigorous bounds on the bias and variance, showing how to choose the number of samples, experiments, and time steps for a given target accuracy. These results lead to a more efficient implementation of the qDrift protocol, both with and without the use of composite channels. Theoretical results are confirmed by numerical simulations performed on a lattice nuclear effective field theory.
Randomized protocols are procedures that incorporate probabilistic choices during their execution and they play a central role in quantum algorithms, spanning Hamiltonian simulation, noise mitigation, and measurement tasks. In practical implementations, the dominant cost of such protocols typically arises from circuit execution and measurement, and depends on hardware-specific resources such as gate counts, circuit depth, runtime, or dissipated energy. We introduce a general framework for applying classical importance sampling to randomized quantum protocols. Given a cost function for running quantum circuits, the proposed approach minimizes a net-cost figure of merit that jointly captures the computational expense per circuit and the estimator variance. We further extend the framework to scenarios where the quantum computation is subject to errors arising either from algorithmic approximations or from physical noise, proving that importance sampling preserves estimator bias despite altering the sampling distribution, and to settings with error-detection schemes, where we characterize the resulting changes in the optimal sampling strategy and achievable net-cost reduction. Representative applications include the Qdrift protocol, dephasing channels, mixed-states simulation, composite observables estimation, classical shadows, and probabilistic error cancellation. Overall, our results establish a principled approach for reducing the computational resources required by randomized quantum protocols through classical sampling optimization.
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Hamiltonian simulation is a central application of quantum computing. Randomized Hamiltonian simulation approximates the target dynamics by sampling quantum circuits and often allows simpler circuit implementations. We develop a framework for randomized Hamiltonian simulation in which Hamiltonian terms are sampled with arbitrary probabilities and the corresponding short-time evolutions are implemented sequentially. The leading channel error relative to ideal time evolution is governed by the variance of the sampled generators. Minimizing the variance-based upper bound on the worst-case error recovers qDRIFT, a leading randomized Hamiltonian simulation algorithm that samples terms in proportion to their operator norms. For typical input states, however, this sampling distribution need not be optimal. Minimizing Haar-averaged error bounds instead yields sampling probabilities proportional to the Hilbert-Schmidt norms of the terms. This choice can provide smaller average-error bounds than conventional qDRIFT. For Hamiltonians expressed as sums of Pauli strings, we combine this framework with commuting Pauli grouping to obtain smaller error bounds than conventional qDRIFT at fixed RzR_zRz​ depth. Numerical benchmarks for the Sachdev-Ye-Kitaev model show error-bound improvement factors consistent with linear scaling in the number of qubits. For the 108-qubit FeMoco Hamiltonian, the error bounds are reduced by a factor of about 5.65. These results establish average-error optimization as a practical design principle for randomized Hamiltonian simulation.
Recent study has shown that it can be advantageous to implement a composite channel that partitions the Hamiltonian H for a given simulation problem into subsets A and B such that H=A+B , where the terms in A are simulated with a Trotter-Suzuki channel and the B terms are randomly sampled via the Qdrift algorithm. Here we extend Qdrift and composite product formulas to imaginary time, formulating candidate classical algorithms for quantum Monte Carlo calculations. We upper bound the induced Schatten- 1→1 norm on both imaginary-time Qdrift and composite channels. Another recent result demonstrated that simulations of lattice Hamiltonians containing geometrically local interactions can be improved using a Lieb-Robinson argument to decompose H into subsets that contain only terms supported on that subset of the lattice. Here, we provide a quantum algorithm by unifying this result with the composite approach into “local composite channels” and we upper bound the diamond distance. We provide exact numerical simulations of algorithmic cost by counting the number of gates of the form e−iHjt and e−Hjβ to meet a certain error tolerance ε . In doing so, we optimize the partitioning into sets A and B using gradient boosted tree models from machine learning. These numerical studies are important given that product formulas have been historically known to outperform analytic upper bounds. We show constant factor advantages for a variety of interesting Hamiltonians, the maximum of which is a ≈20 -fold speedup that occurs in the simulation of Jellium. Published by the American Physical Society 2024
Simulating quantum dynamics is one of the central applications of quantum computing. For Hamiltonians written as a sum of many terms, deterministic Trotter--Suzuki product formulas can require applying a large number of term-wise evolutions at each time step, leading to high circuit costs for large or dense systems. Randomized methods such as qDRIFT offer an alternative: each step samples only one Hamiltonian term, giving a circuit depth with no explicit dependence on the number of terms. However, when qDRIFT is used for observable estimation, high precision requires many independent random circuit realizations, resulting in a total gate complexity that scales as O(ε−3)\mathcal{O}(\varepsilon^{-3})O(ε−3). We introduce a multilevel Monte Carlo framework for qDRIFT that reduces this sampling overhead. The method constructs a hierarchy of qDRIFT estimators with increasing circuit depths and couples adjacent levels by sharing their random Hamiltonian-term samples. This coupling makes the variance of the level differences decay with depth, allowing most samples to be taken on cheaper, coarse circuits and only a few on expensive, fine circuits. We prove that the resulting MLMC-qDRIFT estimator reduces the total gate complexity for fixed-precision observable estimation from the standard qDRIFT scaling O(ε−3)\mathcal{O}(\varepsilon^{-3})O(ε−3) to O(ε−2log⁡2(1/ε))\mathcal{O}(\varepsilon^{-2}\log^2(1/\varepsilon))O(ε−2log2(1/ε)), while preserving qDRIFT's lack of explicit dependence on the number of Hamiltonian terms. Numerical experiments for spin-chain dynamics confirm the predicted variance decay and demonstrate the practical gate-count savings of the multilevel construction.
Hamiltonian simulation is known to be one of the fundamental building blocks of a variety of quantum algorithms such as its most immediate application, that of simulating many-body systems to extract their physical properties. In this work, we present qSWIFT, a high-order randomized algorithm for Hamiltonian simulation. In qSWIFT, the required number of gates for a given precision is independent of the number of terms in the Hamiltonian, while the systematic error is exponentially reduced with regard to the order parameter. In this respect, our qSWIFT is a higher-order counterpart of the previously proposed quantum stochastic drift protocol (qDRIFT), the number of gates in which scales linearly with the inverse of the precision required. We construct the qSWIFT channel and establish a rigorous bound for the systematic error quantified by the diamond norm. qSWIFT provides an algorithm to estimate given physical quantities by using a system with one ancilla qubit, which is as simple as other product-formula-based approaches such as regular Trotter-Suzuki decompositions and qDRIFT. Our numerical experiment reveals that the required number of gates in qSWIFT is significantly reduced compared to qDRIFT. In particular, the advantage is significant for problems where high precision is required; e.g., to achieve a systematic relative propagation error of 10−6 , the required number of gates in third-order qSWIFT is 1000 times smaller than that of qDRIFT. Published by the American Physical Society 2024