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arXiv:1906.07115 · Quantum

Time-dependent Hamiltonian simulation with L 1 -norm scaling

Dominic William Berry, Andrew M. Childs, Yuan Su, Xin Wang, Nathan Wiebe

Published Apr 20, 2020• 110 citations
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Abstract

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.

DOI
10.22331/q-2020-04-20-254

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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 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 .
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.
We give quantum algorithms for Hamiltonian simulation, linear differential equations, and linear systems with square-root dependence on sparsity. For an sss-sparse Hermitian matrix with row and column Euclidean norms bounded by ηηη, evolution for time ttt to error εεε uses O(sτ+sτlog⁡(1/ε)+log⁡(1/ε))\mathcal{O}(\sqrt{s}τ+\sqrt{sτ\log(1/ε)}+\log(1/ε))O(s​τ+sτlog(1/ε)​+log(1/ε)) queries, where τ=η∣t∣τ=η|t|τ=η∣t∣. The same bound holds for time-dependent Hamiltonians with coherent time-indexed sparse access and certified time discretisation. Our construction combines an exact entrywise representation with Cayley transducers. A joint lower bound nearly matches the time, sparsity, and precision dependence, ruling out a uniformly additive bound in sτ\sqrt{s}τs​τ and log⁡(1/ε)\log(1/ε)log(1/ε). For dissipative linear differential equations we obtain O(gˉ[s(τ+τ)+1]log⁡(Cgˉ/ε))\mathcal{O}(\bar g[\sqrt{s}(τ+\sqrtτ)+1]\log(C\bar g/ε))O(gˉ​[s​(τ+τ​)+1]log(Cgˉ​/ε)) queries, where τττ is the evolution time multiplied by a norm bound, gˉ\bar ggˉ​ bounds the ratio of combined input and source norms to the final-solution norm, and CCC is an absolute constant. We sharpen this bound by separating Hamiltonian and dissipative components, and treat general constant generators. Lower bounds capture joint parameter dependence for time-dependent equations and precision hardness for constant positive semidefinite dissipation. For linear systems, a Cayley walk and Chebyshev filter give O(κslog⁡(1/ε))\mathcal{O}(κ\sqrt{s}\log(1/ε))O(κs​log(1/ε)) queries when ∥A∥≤1\|A\|\le1∥A∥≤1 and ∥A−1∥≤κ\|A^{-1}\|\leκ∥A−1∥≤κ, and we give an alternative proof of a matching joint lower bound. We also give gate-efficient implementations of time-independent Hamiltonian simulation and the dissipative ODE solver, including Lipschitz time dependence, retaining the query bounds with polylogarithmic overhead in inverse precision given efficient entry decoding, arithmetic, and required source preparations.
We present an algorithm for sparse Hamiltonian simulation whose complexity is optimal (up to log factors) as a function of all parameters of interest. Previous algorithms had optimal or near-optimal scaling in some parameters at the cost of poor scaling in others. Hamiltonian simulation via a quantum walk has optimal dependence on the sparsity at the expense of poor scaling in the allowed error. In contrast, an approach based on fractional-query simulation provides optimal scaling in the error at the expense of poor scaling in the sparsity. Here we combine the two approaches, achieving the best features of both. By implementing a linear combination of quantum walk steps with coefficients given by Bessel functions, our algorithm's complexity (as measured by the number of queries and 2-qubit gates) is logarithmic in the inverse error, and nearly linear in the product tau of the evolution time, the sparsity, and the magnitude of the largest entry of the Hamiltonian. Our dependence on the error is optimal, and we prove a new lower bound showing that no algorithm can have sub linear dependence on tau.
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 provide a general method for efficiently simulating time-dependent Hamiltonian dynamics on a circuit-model-based quantum computer. Our approach is based on approximating the truncated Dyson series of the evolution operator, extending the earlier proposal by Berry et al. [Phys. Rev. Lett. 114, 090502 (2015)] to evolution generated by explicitly time-dependent Hamiltonians. Two alternative strategies are proposed to implement time ordering while exploiting the superposition principle for sampling the Hamiltonian at different times. The resource cost of our simulation algorithm retains the optimal logarithmic dependence on the inverse of the desired precision.