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arXiv:1805.00675

Hamiltonian Simulation in the Interaction Picture

Guang Hao Low, Nathan Wiebe

Published May 2, 2018• 53 citations
arXivHTMLPDF

Abstract

We present a low-space overhead simulation algorithm based on the truncated Dyson series for time-dependent quantum dynamics. This algorithm is applied to simulating time-independent Hamiltonians by transitioning to the interaction picture, where some portions are made time-dependent. This can provide a favorable complexity trade-off as the algorithm scales exponentially better with derivatives of the time-dependent component than the original Hamiltonian. We show that this leads to an exponential improvement in gate complexity for simulating some classes of diagonally dominant Hamiltonian. Additionally we show that this can reduce the gate-complexity scaling for simulating $N$-site Hubbard models for time $t$ with arbitrary long-range interactions as well as reduce the cost of quantum chemistry simulations within a similar-sized plane-wave basis to $\widetilde{\mathcal{O}}(N^2t)$ from $\widetilde{\mathcal{O}}(N^{11/3}t)$. We also show a quadratic improvement in query complexity for simulating sparse time-dependent Hamiltonians, which may be of independent interest.

DOI
10.48550/arxiv.1805.00675

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We present a low-space overhead simulation algorithm based on the truncated Dyson series for time-dependent quantum dynamics. This algorithm is applied to simulating time-independent Hamiltonians by transitioning to the interaction picture, where some portions are made time-dependent. This can provide a favorable complexity trade-off as the algorithm scales exponentially better with derivatives of the time-dependent component than the original Hamiltonian. We show that this leads to an exponential improvement in gate complexity for simulating some classes of diagonally dominant Hamiltonian. Additionally we show that this can reduce the gate-complexity scaling for simulating NNN-site Hubbard models for time ttt with arbitrary long-range interactions as well as reduce the cost of quantum chemistry simulations within a similar-sized plane-wave basis to O~(N2t)\widetilde{\mathcal{O}}(N^2t)O(N2t) from O~(N11/3t)\widetilde{\mathcal{O}}(N^{11/3}t)O(N11/3t). We also show a quadratic improvement in query complexity for simulating sparse time-dependent Hamiltonians, which may be of independent interest.
The difficulty of simulating quantum dynamics depends on the norm of the Hamiltonian. When the Hamiltonian varies with time, the simulation complexity should only depend on this quantity instantaneously. We develop quantum simulation algorithms that exploit this intuition. For sparse Hamiltonian simulation, the gate complexity scales with the L 1 norm ∫ 0 t d τ ‖ H ( τ ) ‖ max , whereas the best previous results scale with t max τ ∈ [ 0 , t ] ‖ H ( τ ) ‖ max . We also show analogous results for Hamiltonians that are linear combinations of unitaries. Our approaches thus provide an improvement over previous simulation algorithms that can be substantial when the Hamiltonian varies significantly. We introduce two new techniques: a classical sampler of time-dependent Hamiltonians and a rescaling principle for the Schrödinger equation. The rescaled Dyson-series algorithm is nearly optimal with respect to all parameters of interest, whereas the sampling-based approach is easier to realize for near-term simulation. These algorithms could potentially be applied to semi-classical simulations of scattering processes in quantum chemistry.
We develop a quantum algorithm for slow analytic Hamiltonians H~(t)=H(t/T)\widetilde H(t)=H(t/T)H(t)=H(t/T) with ∥H(s)∥≤α\|H(s)\|\leqα∥H(s)∥≤α that achieves nearly additive query complexity and low gate overhead. Our main technical contribution is a periodic Gevrey extension of H(s)H(s)H(s), together with Fourier component decay and truncation bounds that enable an efficient finite-dimensional simulation. Combined with Floquet embedding and optimal time-independent Hamiltonian simulation technique, this gives query complexity O~ ⁣(αT+log⁡(1/ε))\widetilde{\mathcal O}\!\left(αT+\log(1/\varepsilon)\right)O(αT+log(1/ε)) and additional gate complexity O~ ⁣((αT+log⁡(1/ε))2log⁡(1/ε))\widetilde{\mathcal O}\!\left((αT+\log(1/\varepsilon))^2\log(1/\varepsilon)\right)O((αT+log(1/ε))2log(1/ε)), assuming coherent access to H′(s)H'(s)H′(s) and endpoint derivatives. For slow analytic control Hamiltonians, only block encodings of the time-independent control operators are required, with the same query complexity and lower gate overhead. Our method also extends to Gevrey Hamiltonians and improves the precision dependence for simulating slow analytic semi-dissipative linear differential equations.
We present a quantum algorithm for the dynamical simulation of time-dependent Hamiltonians.Our method involves expanding the interaction-picture Hamiltonian as a sum of generalized permutations, which leads to an integral-free Dyson series of the time-evolution operator.Under this representation, we perform a quantum simulation for the time-evolution operator by means of the linear combination of unitaries technique.We optimize the time steps of the evolution based on the Hamiltonian's dynamical characteristics, leading to a gate count that scales with an L 1 -norm-like scaling with respect only to the norm of the interaction Hamiltonian, rather than that of the total Hamiltonian.We demonstrate that the cost of the algorithm is independent of the Hamiltonian's frequencies, implying its advantage for systems with highly oscillating components, and for time-decaying systems the cost does not scale with the total evolution time asymptotically.In addition, our algorithm retains the near optimal log(1/ )/ log log(1/ ) scaling with simulation error .
Efficient simulation of quantum dynamics with time-dependent Hamiltonians is important not only for time-varying systems but also for time-independent Hamiltonians in the interaction picture. Such simulations are more challenging than their time-independent counterparts due to the complexity introduced by time ordering. Existing algorithms that aim to capture commutator-based scaling either exhibit polynomial cost dependence on the Hamiltonian’s time derivatives or are limited to low-order accuracy. In this work, we establish the general commutator-scaling error bounds for the truncated Magnus expansion at arbitrary order, where only Hamiltonian terms appear in the nested commutators, with no time derivatives involved. Building on this analysis, we design a high-order quantum algorithm with explicit circuit constructions. The algorithm achieves cost scaling with the commutator structure in the high-precision regime and depends only logarithmically on the Hamiltonian’s time variation, making it efficient under the standard input model for general time-dependent settings, including Hamiltonians arising in the interaction picture.
Conventional methods of quantum simulation involve trade-offs that limit their applicability to specific contexts where their use is optimal. In particular, the interaction picture simulation has been found to provide substantial asymptotic advantages for some Hamiltonians, but incurs prohibitive constant factors and is incompatible with methods like qubitization. We provide a framework that allows different simulation methods to be hybridized and thereby improve performance for interaction picture simulations over known algorithms. These approaches show asymptotic improvements over the individual methods that comprise them and further make interaction picture simulation methods practical in the near term. Physical applications of these hybridized methods yield a gate complexity scaling as log2⁡Λ in the electric cutoff Λ for the Schwinger Model and independent of the electron density for collective neutrino oscillations, outperforming the scaling for all current algorithms with these parameters. For the general problem of Hamiltonian simulation subject to dynamical constraints, these methods yield a query complexity independent of the penalty parameter λ used to impose an energy cost on time-evolution into an unphysical subspace.
Hamiltonian simulations are key subroutines in adiabatic quantum computation and quantum many-body physics, where quantum dynamics often happen in the low-energy sector. Previous studies have shown that the low-energy assumption can reduce the resource requirements of standard time-independent Hamiltonian simulation algorithms. However, whether such advantages extend to time-dependent Hamiltonian simulation remains open. In this paper, we consider the adiabatic regime where the relevant low-energy subspace is spanned by a fixed number of low-energy eigenstates and separated from the rest of the spectrum by a gap. We show that, for simulating spin Hamiltonians by product formulas, the explicit system size dependence in the leading commutator-scaling term can be replaced by a low-energy scale up to logarithmic factors. Technically, we derive the low-energy simulation error with commutator scaling for product formulas by leveraging adiabatic perturbation theory to analyze the time-variant energy spectrum of the underlying Hamiltonian. We further conduct numerical experiments on adiabatic state preparation of an illustrative example system to support our theoretical findings. Finally, we prove a lower bound of query complexity for generic time-dependent Hamiltonian simulations.