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arXiv:1804.02484 · Quantum

Approximating Hamiltonian dynamics with the Nyström method

Alessandro Rudi, Leonard Wossnig, Carlo Ciliberto, Andrea Rocchetto, Massimiliano Pontil, Simone Severini B

Published Feb 20, 2020• 5 citations
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Abstract

Simulating the time-evolution of quantum mechanical systems is BQP-hard and expected to be one of the foremost applications of quantum computers. We consider classical algorithms for the approximation of Hamiltonian dynamics using subsampling methods from randomized numerical linear algebra. We derive a simulation technique whose runtime scales polynomially in the number of qubits and the Frobenius norm of the Hamiltonian. As an immediate application, we show that sample based quantum simulation, a type of evolution where the Hamiltonian is a density matrix, can be efficiently classically simulated under specific structural conditions. Our main technical contribution is a randomized algorithm for approximating Hermitian matrix exponentials. The proof leverages a low-rank, symmetric approximation via the Nyström method. Our results suggest that under strong sampling assumptions there exist classical poly-logarithmic time simulations of quantum computations.

DOI
10.22331/q-2020-02-20-234

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Simulating the time-evolution of quantum mechanical systems is BQP-hard and expected to be one of the foremost applications of quantum computers. We consider classical algorithms for the approximation of Hamiltonian dynamics using subsampling methods from randomized numerical linear algebra. We derive a simulation technique whose runtime scales polynomially in the number of qubits and the Frobenius norm of the Hamiltonian. As an immediate application, we show that sample based quantum simulation, a type of evolution where the Hamiltonian is a density matrix, can be efficiently classically simulated under specific structural conditions. Our main technical contribution is a randomized algorithm for approximating Hermitian matrix exponentials. The proof leverages a low-rank, symmetric approximation via the Nyström method. Our results suggest that under strong sampling assumptions there exist classical poly-logarithmic time simulations of quantum computations.
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.
Simulating the time-evolution of quantum mechanical systems is BQP-hard and expected to be one of the foremost applications of quantum computers. We consider classical algorithms for the approximation of Hamiltonian dynamics using subsampling methods from randomized numerical linear algebra. We derive a simulation technique whose runtime scales polynomially in the number of qubits and the Frobenius norm of the Hamiltonian. As an immediate application, we show that sample based quantum simulation, a type of evolution where the Hamiltonian is a density matrix, can be efficiently classically simulated under specific structural conditions. Our main technical contribution is a randomized algorithm for approximating Hermitian matrix exponentials. The proof leverages a low-rank, symmetric approximation via the Nyström method. Our results suggest that under strong sampling assumptions there exist classical poly-logarithmic time simulations of quantum computations.
Inspired by the quantum computing algorithms for Linear Algebra problems [HHL,TaShma] we study how the simulation on a classical computer of this type of "Phase Estimation algorithms" performs when we apply it to solve the Eigen-Problem of Hermitian matrices. The result is a completely new, efficient and stable, parallel algorithm to compute an approximate spectral decomposition of any Hermitian matrix. The algorithm can be implemented by Boolean circuits in O(log⁡2n)O(\log^2 n)O(log2n) parallel time with a total cost of O(nω+1)O(n^{ω+1})O(nω+1) Boolean operations. This Boolean complexity matches the best known rigorous O(log⁡2n)O(\log^2 n)O(log2n) parallel time algorithms, but unlike those algorithms our algorithm is (logarithmically) stable, so further improvements may lead to practical implementations. All previous efficient and rigorous approaches to solve the Eigen-Problem use randomization to avoid bad condition as we do too. Our algorithm makes further use of randomization in a completely new way, taking random powers of a unitary matrix to randomize the phases of its eigenvalues. Proving that a tiny Gaussian perturbation and a random polynomial power are sufficient to ensure almost pairwise independence of the phases (mod  (2π))(\mod (2π))(mod(2π)) is the main technical contribution of this work. This randomization enables us, given a Hermitian matrix with well separated eigenvalues, to sample a random eigenvalue and produce an approximate eigenvector in O(log⁡2n)O(\log^2 n)O(log2n) parallel time and O(nω)O(n^ω)O(nω) Boolean complexity. We conjecture that further improvements of our method can provide a stable solution to the full approximate spectral decomposition problem with complexity similar to the complexity (up to a logarithmic factor) of sampling a single eigenvector.
Abstract This chapter presents some quantum algorithms to simulate the dynamics of a quantum system, one of the most important applications of a quantum computer. We introduce the conditions for efficient simulation of Hamiltonian dynamics. We then present some Trotterization methods, in which the time evolution operator is approximated as a product of terms, each of which can be implemented by a quantum circuit at polynomial cost. We show high-order decompositions and illustrate the use of a Trotterization method to simulate sparse Hamiltonians. We discuss the Taylor series method and the qubitization method. The latter achieves optimal cost in simulation time and target accuracy. We conclude the chapter with a proof that simulating Hamiltonian dynamics is BQP-complete
Solving linear systems of equations is a fundamental problem with a wide variety of applications across many fields of science, and there is increasing effort to develop quantum linear solver algorithms. Subaşı . [Phys. Rev. Lett. 122, 060504 (2019)] proposed a randomized algorithm inspired by adiabatic quantum computing, based on a sequence of random Hamiltonian simulation steps, with suboptimal scaling in the condition number κ of the linear system and the target error ϵ . Here we go beyond these results in several ways. Firstly, using filtering [Lin and Tong, Quantum 4, 361 (2020)] and Poissonization techniques [Cunningham and Roland, ArXiv:2406.03972 (2024)], the algorithm complexity is improved to the optimal scaling O ( κ log  ( 1 / ϵ ) ) —an exponential improvement in ϵ , and a shaving of a log  κ scaling factor in κ . Secondly, the algorithm is further modified to achieve constant factor improvements, which are vital as we progress towards hardware implementations on fault-tolerant devices. We introduce a cheaper randomized walk operator method replacing Hamiltonian simulation—which also removes the need for potentially challenging classical precomputations; randomized routines are sampled over optimized random variables; circuit constructions are improved. We obtain a closed formula rigorously upper bounding the expected number of times one needs to apply a block-encoding of the linear system matrix to output a quantum state encoding the solution to the linear system. The upper bound is 837 κ at ϵ = 10 − 10 for Hermitian matrices.
The simulation of quantum physical systems is expected to be an important application for quantum computers. The work presented in this dissertation aims to improve the resource requirements of quantum computers for solving simulation problems, by providing both novel quantum algorithms and improved implementations of existing ones. I present three main results that cover diverse aspects of simulation including equilibrium physics, the preparation of useful quantum states, and simulations based on classical stochastic processes. The results rely on established quantum algorithms and other recent techniques which I review. My first original contribution is a new quantum algorithm to sample from the thermal Gibbs state of quantum Hamiltonians. The complexity of this algorithm has an exponentially improved dependence on precision compared to an earlier quantum algorithm, and also provides polynomial improvements in other parameters. My second contribution is an improved algorithm to implement reflections about the eigenstates of unitary operators and Hamiltonians, an operation that can be used to prepare ground states of many-body Hamiltonians by quantum amplitude amplification. The improved algorithm for implementing reflections significantly reduces the number of ancilla qubits required over earlier implementations. The improvement relies in part on a novel quantum algorithm for efficiently preparing states with Gaussian-like amplitudes, which may have broad applications. I also prove a lower bound for implementing reflections, which shows that our algorithm is almost optimal. My third and final contribution regards quantum algorithms for classical stochastic processes, which are of importance in statistical physics. I present a quantum algorithm that estimates the average running time of a stochastic process, and provides a quadratic speed-up over a comparable classical algorithm.