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arXiv:2304.02613

Efficient Quantum Algorithms for Quantum Optimal Control

Xiantao Li, Chunhao Wang

Published Apr 5, 2023• 1 citation
arXivHTMLPDF

Abstract

In this paper, we present efficient quantum algorithms that are exponentially faster than classical algorithms for solving the quantum optimal control problem. This problem involves finding the control variable that maximizes a physical quantity at time $T$, where the system is governed by a time-dependent Schrödinger equation. This type of control problem also has an intricate relation with machine learning. Our algorithms are based on a time-dependent Hamiltonian simulation method and a fast gradient-estimation algorithm. We also provide a comprehensive error analysis to quantify the total error from various steps, such as the finite-dimensional representation of the control function, the discretization of the Schrödinger equation, the numerical quadrature, and optimization. Our quantum algorithms require fault-tolerant quantum computers.

DOI
10.48550/arxiv.2304.02613

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In this paper, we present efficient quantum algorithms that are exponentially faster than classical algorithms for solving the quantum optimal control problem. This problem involves finding the control variable that maximizes a physical quantity at time TTT, where the system is governed by a time-dependent Schrödinger equation. This type of control problem also has an intricate relation with machine learning. Our algorithms are based on a time-dependent Hamiltonian simulation method and a fast gradient-estimation algorithm. We also provide a comprehensive error analysis to quantify the total error from various steps, such as the finite-dimensional representation of the control function, the discretization of the Schrödinger equation, the numerical quadrature, and optimization. Our quantum algorithms require fault-tolerant quantum computers.
The optimal control problem for open quantum systems can be formulated as a time-dependent Lindbladian that is parameterized by a number of time-dependent control variables. Given an observable and an initial state, the goal is to tune the control variables so that the expected value of some observable with respect to the final state is maximized. In this paper, we present algorithms for solving this optimal control problem efficiently, i.e., having a poly-logarithmic dependency on the system dimension, which is exponentially faster than best-known classical algorithms. Our algorithms are hybrid, consisting of both quantum and classical components. The quantum procedure simulates time-dependent Lindblad evolution that drives the initial state to the final state, and it also provides access to the gradients of the objective function via quantum gradient estimation. The classical procedure uses the gradient information to update the control variables. At the technical level, we provide the first (to the best of our knowledge) simulation algorithm for time-dependent Lindbladians with an ℓ1\ell_1ℓ1​-norm dependence. As an alternative, we also present a simulation algorithm in the interaction picture to improve the algorithm for the cases where the time-independent component of a Lindbladian dominates the time-dependent part. On the classical side, we heavily adapt the state-of-the-art classical optimization analysis to interface with the quantum part of our algorithms. Both the quantum simulation techniques and the classical optimization analyses might be of independent interest.
The control of matter and energy at a fundamental level will be a cornerstone of new technologies for years to come. This idea is exemplified in a distilled form by controlling the dynamics of quantum mechanical systems via a time-dependent potential. The contributions detailed within this work focus on the computational aspects of formulating and solving quantum control problems efficiently. The accurate numerical computation of optimal controls of infinite dimensional quantum control problems is a very difficult task that requires to take into account the features of the original infinite dimensional problem. An important issue is the choice of the functional space where the minimization process is defined. A systematic comparison of L2 versus H1 based minimization shows that the choice of the appropriate functional space matters and has many consequences in the implementation of some optimization techniques. A matrix-free cascadic BFGS algorithm is introduced in the L 2 and H1 settings and it is demonstrated that the choice of H1 over L2 results in a substantial performance and robustness increase. A comparison between optimal control resulting from function space minimization and the control obtained by minimization over Chebyshev and POD basis function coefficients is presented. A theoretical and computational framework is presented to obtain accurate controls for fast quantum state transitions that are needed in a host of applications such as nano electronic devices and quantum computing. This method is based on a reduced Hessian Krylov-Newton scheme applied to a norm-preserving discrete model of a dipole quantum control problem. The use of second-order numerical methods for solving the control problem is justified proving existence of optimal solutions and analyzing first- and second-order optimality conditions. Criteria for the discretization of the non-convex optimization problem and for the formulation of the Hessian are given to ensure accurate gradients and a symmetric Hessian. Robustness of the Newton approach is obtained using a globalization strategy with a robust linesearch procedure. Results of numerical experiments demonstrate that the Newton approach presented in this dissertation is able to provide fast and accurate controls for high-energy state transitions. Control of bound-to-bound and bound-to-continuum transitions in open quantum systems and vector field control of two-dimensional systems is presented. An efficient space-time spectral discretization of the time-dependent Schrodinger equation and preconditioning strategy for a fast approximate solution with Krylov methods is outlined.
We develop quantum algorithms for optimal control over a prescribed finite time interval (finite horizon), focusing on continuous-time linear-quadratic regulation (LQR). This foundational control problem often requires solving a nonlinear matrix Riccati equation, which can be costly for large systems and long control durations on conventional classical solvers. We instead work directly with the state-costate optimality equations, reformulating the LQR problem as a multiple-shooting linear system. Importantly, we prove a condition-number bound for the system that is independent of the horizon, under stabilizability and detectability assumptions. By incorporating the initial and final conditions into a single linear system, we can solve the subsequent linear system more efficiently with a quantum linear systems subroutine. For a given initial state, our quantum algorithms return classical estimates of the optimal cost and the optimal control inputs at a selected time, without constructing a Riccati solution operator. Given sparse-matrix block-encodings, an initial-state preparation oracle and a fixed number of control inputs, the query and gate complexities scale polylogarithmically with system size and control duration, provided that sparsity, relevant norms, and stability parameters are bounded. The dependence on the target error is inverse-linear up to logarithmic factors. We establish the required bounds uniformly in system size and duration for a family of damped mass-spring chains with two endpoint controls. Numerical experiments support the analysis.
We present the quantum equation and synthesize an optimal control proce dure for this equation. We develop a theoretical method for the analysis of quantum optimal control system given by the time depending Schrödinger equation. The Legendre wavelet method is proposed for solving this problem. This can be used as an efficient and accurate computational method for obtaining numerical solutions of different quantum optimal control problems. The distinguishing feature of this paper is that it makes the method, previously used to solve non-quantum control equations based on Legendre wavelets, usable by using a change of variables for quantum control equations.
We provide several quantum algorithms for continuous optimization that do not require gradient estimation. Instead, we encode the optimization problem into the dynamics of a physical system and coherently simulate the time evolution. We focus on the setting where the objective function can be accessed via a phase oracle. Our first two algorithms can find local optima of a differentiable function f : R N → R by simulating either classical or quantum dynamics with friction via a time-dependent Hamiltonian. We show that for the benchmark problem of optimizing a locally quadratic objective function, these methods require a total of O ( N 2 κ 2 / h x 2 ϵ ) queries to a phase oracle to find an ϵ -approximate local optimum, where κ is the condition number of the Hessian matrix and h x is the discretization spacing. In contrast, we show that methods based on gradient descent require O ( N 3 / 2 ( 1 / ϵ ) κ log ( 3 ) / 4 ) queries. This corresponds to an exponential separation between the query upper bounds for the benchmark problem. Our third algorithm can find the global optimum of f by preparing a classical low-temperature thermal state via simulation of the classical Liouvillian operator associated with the Nosé Hamiltonian. We use results from the quantum thermodynamics literature to bound the thermalization time for the discrete system. Additionally, we analyze barren plateau effects that commonly plague quantum optimization algorithms and observe that our approach is vastly less sensitive to this problem than standard gradient-based optimization. Our results suggest that these dynamical optimization approaches may be far more scalable for future quantum machine learning, optimization and variational experiments than was widely believed.