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arXiv:1011.3489 · Journal of Physics A Mathematical and Theoretical

Simulating quantum dynamics on a quantum computer

Nathan Wiebe, Dominic William Berry, Peter Høyer, Barry C. Sanders

Published Oct 18, 2011• 111 citations
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Abstract

We explicitly show how to simulate time-dependent sparse Hamiltonian evolution on a quantum computer, with complexity that is close to linear in the evolution time. The complexity also depends on the magnitude of the derivatives of the Hamiltonian. We propose a range of techniques to simulate Hamiltonians with badly behaved derivatives. These include using adaptive time steps, adapting the order of the integrators, and omitting regions about discontinuities. The complexity of the algorithm is quantified by calls to an oracle, which yields information about the Hamiltonian, and accounts for all computational resources. We explicitly determine the number of bits of output that this oracle needs to provide, and show how to efficiently perform the required 1-sparse unitary operations using these bits. We also account for discretization error in the time, as well as accounting for Hamiltonians that are a sum of terms that are sparse in different bases.

DOI
10.1088/1751-8113/44/44/445308

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We explicitly show how to simulate time-dependent sparse Hamiltonian evolution on a quantum computer, with complexity that is close to linear in the evolution time. The complexity also depends on the magnitude of the derivatives of the Hamiltonian. We propose a range of techniques to simulate Hamiltonians with badly behaved derivatives. These include using adaptive time steps, adapting the order of the integrators, and omitting regions about discontinuities. The complexity of the algorithm is quantified by calls to an oracle, which yields information about the Hamiltonian, and accounts for all computational resources. We explicitly determine the number of bits of output that this oracle needs to provide, and show how to efficiently perform the required 1-sparse unitary operations using these bits. We also account for discretization error in the time, as well as accounting for Hamiltonians that are a sum of terms that are sparse in different bases.
In this thesis, we present three innovations that can be used to simulate quantum dynamics on both quantum and classical computers. Our primary innovation is an efficient quantum algorithm for simulating time-dependent Hamiltonian evolution of general input states on a quantum computer. Given conditions on the smoothness of the Hamiltonian, the complexity of the algorithm is close to linear in the evolution time, and therefore is comparable to algorithms for time-independent Hamiltonians. In addition, we show how the complexity can be reduced by optimizing the time steps. The complexity of the algorithm is quantified by calls to an oracle, which yields information about the Hamiltonian. In contrast to previous work, which allowed an oracle query to yield an arbitrary number of bits or qubits, we assign a cost for each bit or qubit accessed, revealing hitherto unnoticed simulation costs. We also account for discretization errors in the time and the representation of the Hamiltonian. This work is enabled by our development of a decomposition scheme based on Lie-Trotter- Suzuki product formulae for ordered operator exponentials. We show, by counterexample, that Lie-Trotter-Suzuki approximations may be lower order than expected when applied to problems that have singularities or discontinuous derivatives of appropriate order. We address this problem by presenting a set of criteria that is sufficient for the validity of these approximations, prove convergence and provide upper bounds for the approximation error. We also provide a new analysis of the evolution of quantum adiabatic systems in this thesis. Our work contains the tightest upper bounds that are currently known, and the first tight lower bounds, for the error in the adiabatic approximation applied to fixed Hamiltonians in the limit of slow evolution. We use our results to address the Marzlin- Sanders counterexample Hamiltonian. Specifically, we provide sufficiency conditions for the validity of the adiabatic approximation and demonstrate that the Marzlin-Sanders counterexample fails to satisfy them. We also find a new class of time-dependent Hamiltonians that are related to the Marzlin0Sanders counterexample Hamiltonian, but nonetheless obey the adiabatic approximation for sufficiently slow evolutions.
Dominic W. Berry, Graeme Ahokas, Richard Cleve, and Barry C. Sanders Abstract Arguably one of the most important applications of quantum computers is the simulation of quantum systems. In the case where the Hamiltonian consists of a sum of interaction terms between small subsystems, the simulation is thought to be exponentially more efficient than classical simulation. More generally, evolution under suitably specified sparse Hamiltonians may be efficiently simulated. In recent work we have shown that the complexity of simulating evolution under a Hamiltonian is very close to linear in the evolution time. In addition, we have shown that in the general case of a sparse Hamiltonian the complexity grows slowly with respect to the number of qubits. In this chapter we review these results.
We present a quantum algorithm for simulating the dynamics of Hamiltonians that are not necessarily sparse. Our algorithm is based on the input model where the entries of the Hamiltonian are stored in a data structure in a quantum random access memory (qRAM) which allows for the efficient preparation of states that encode the rows of the Hamiltonian. We use a linear combination of quantum walks to achieve poly-logarithmic dependence on precision. The time complexity of our algorithm, measured in terms of the circuit depth, is O(t\sqrt{N}\norm{H}\,\polylog(N, t\norm{H}, 1/\epsilon)), where t is the evolution time, NNN is the dimension of the system, and ϵ\epsilonϵ is the error in the final state, which we call precision. Our algorithm can be directly applied as a subroutine for unitary implementation and quantum linear systems solvers, achieving \widetilde{O}(\sqrt{N}) dependence for both applications.
We present the problem of approximating the time-evolution operator e−iH^t to error ϵ , where the Hamiltonian H^=(⟨G|⊗I^)U^(|G⟩⊗I^) is the projection of a unitary oracle U^ onto the state |G⟩ created by another unitary oracle. Our algorithm solves this with a query complexity O(t+log⁡(1/ϵ)) to both oracles that is optimal with respect to all parameters in both the asymptotic and non-asymptotic regime, and also with low overhead, using at most two additional ancilla qubits. This approach to Hamiltonian simulation subsumes important prior art considering Hamiltonians which are d -sparse or a linear combination of unitaries, leading to significant improvements in space and gate complexity, such as a quadratic speed-up for precision simulations. It also motivates useful new instances, such as where H^ is a density matrix. A key technical result is `qubitization', which uses the controlled version of these oracles to embed any H^ in an invariant SU(2) subspace. A large class of operator functions of H^ can then be computed with optimal query complexity, of which e−iH^t is a special case.
We study how parallelism can speed up quantum simulation. A parallel quantum algorithm is proposed for simulating the dynamics of a large class of Hamiltonians with good sparse structures, called uniform-structured Hamiltonians, including various Hamiltonians of practical interest like local Hamiltonians and Pauli sums. Given the oracle access to the target sparse Hamiltonian, in both query and gate complexity, the running time of our parallel quantum simulation algorithm measured by the quantum circuit depth has a doubly (poly-)logarithmic dependence polylog⁡log⁡(1/ϵ) on the simulation precision ϵ . This presents an exponential improvement over the dependence polylog⁡(1/ϵ) of previous optimal sparse Hamiltonian simulation algorithm without parallelism. To obtain this result, we introduce a novel notion of parallel quantum walk, based on Childs' quantum walk. The target evolution unitary is approximated by a truncated Taylor series, which is obtained by combining these quantum walks in a parallel way. A lower bound Ω(log⁡log⁡(1/ϵ)) is established, showing that the ϵ -dependence of the gate depth achieved in this work cannot be significantly improved.Our algorithm is applied to simulating three physical models: the Heisenberg model, the Sachdev-Ye-Kitaev model and a quantum chemistry model in second quantization. By explicitly calculating the gate complexity for implementing the oracles, we show that on all these models, the total gate depth of our algorithm has a polylog⁡log⁡(1/ϵ) dependence in the parallel setting.