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arXiv:2103.12604 · New Journal of Physics

Fully differentiable optimization protocols for non-equilibrium steady states

Rodrigo A. Vargas–Hernández, Ricky T. Q. Chen, Kenneth A. Jung, Paul W. Brumer

Published Nov 12, 2021• 19 citations
arXivHTMLPDF

Abstract

Abstract In the case of quantum systems interacting with multiple environments, the time-evolution of the reduced density matrix is described by the Liouvillian. For a variety of physical observables, the long-time limit or steady state (SS) solution is needed for the computation of desired physical observables. For inverse design or optimal control of such systems, the common approaches are based on brute-force search strategies. Here, we present a novel methodology, based on automatic differentiation, capable of differentiating the SS solution with respect to any parameter of the Liouvillian. Our approach has a low memory cost, and is agnostic to the exact algorithm for computing the SS. We illustrate the advantage of this method by inverse designing the parameters of a quantum heat transfer device that maximizes the heat current and the rectification coefficient. Additionally, we optimize the parameters of various Lindblad operators used in the simulation of energy transfer under natural incoherent light. We also present a sensitivity analysis of the SS for energy transfer under natural incoherent light as a function of the incoherent-light pumping rate.

DOI
10.1088/1367-2630/ac395e

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Abstract In the case of quantum systems interacting with multiple environments, the time-evolution of the reduced density matrix is described by the Liouvillian. For a variety of physical observables, the long-time limit or steady state (SS) solution is needed for the computation of desired physical observables. For inverse design or optimal control of such systems, the common approaches are based on brute-force search strategies. Here, we present a novel methodology, based on automatic differentiation, capable of differentiating the SS solution with respect to any parameter of the Liouvillian. Our approach has a low memory cost, and is agnostic to the exact algorithm for computing the SS. We illustrate the advantage of this method by inverse designing the parameters of a quantum heat transfer device that maximizes the heat current and the rectification coefficient. Additionally, we optimize the parameters of various Lindblad operators used in the simulation of energy transfer under natural incoherent light. We also present a sensitivity analysis of the SS for energy transfer under natural incoherent light as a function of the incoherent-light pumping rate.
We present a gradient-based optimal-control technique for open quantum systems that utilizes quantum trajectories to simulate the quantum dynamics during optimization. Using trajectories allows for optimizing open systems with less computational cost than the regular density matrix approaches in most realistic optimization problems. We introduce an improved-sampling algorithm which minimizes the number of trajectories needed per optimization iteration. Together with employing stochastic gradient descent techniques, this reduces the complexity of optimizing many realistic open quantum systems to the complexity encountered with closed systems. Our optimizer harnesses automatic differentiation to provide flexibility in optimization and to suit the different constraints and diverse parameter regimes of real-life experiments. We utilize the optimizer in a variety of applications to demonstrate how the use of quantum trajectories significantly reduces the computation complexity while achieving a multitude of simultaneous optimization targets. Demonstrated targets include high state-transfer fidelities despite dissipation, faster gate times, and maximization of qubit-readout fidelity while maintaining the quantum nondemolition nature of the measurement and allowing for subsequent fast resonator reset.
Non-equilibrium steady states are a focal point of research in the study of open quantum systems. Previous variational algorithms for searching these steady states have suffered from resource-intensive implementations due to vectorization or purification of the system density matrix, requiring large qubit resources and long-range coupling. In this work, we present a novel variational quantum algorithm that efficiently searches for non-equilibrium steady states by simulating the operator-sum form of the Lindblad equation. By introducing the technique of random measurement, we are able to estimate the nonlinear cost function while reducing the required qubit resources by half compared to previous methods. Additionally, we prove the existence of the parameter shift rule in our variational algorithm, enabling efficient updates of circuit parameters using gradient-based classical algorithms. To demonstrate the performance of our algorithm, we conduct simulations for dissipative quantum transverse Ising and Heisenberg models, achieving highly accurate results. Our approach offers a promising solution for effectively addressing non-equilibrium steady state problems while overcoming computational limitations and implementation challenges.
Simulating the dynamics and the non-equilibrium steady state of an open quantum system are hard computational tasks on conventional computers. For the simulation of the time evolution, several efficient quantum algorithms have recently been developed. However, computing the non-equilibrium steady state as the long-time limit of the system dynamics is often not a viable solution, because of exceedingly long transient features or strong quantum correlations in the dynamics. Here, we develop an efficient quantum algorithm for the direct estimation of averaged expectation values of observables on the non-equilibrium steady state, thus bypassing the time integration of the master equation. The algorithm encodes the vectorized representation of the density matrix on a quantum register, and makes use of quantum phase estimation to approximate the eigenvector associated to the zero eigenvalue of the generator of the system dynamics. We show that the output state of the algorithm allows to estimate expectation values of observables on the steady state. Away from critical points, where the Liouvillian gap scales as a power law of the system size, the quantum algorithm performs with exponential advantage compared to exact diagonalization.
We present a general method to efficiently design optimal control sequences for non-Markovian open quantum systems, and illustrate it by optimizing the shape of a laser pulse to prepare a quantum dot in a specific state. The optimization of control procedures for quantum systems with strong coupling to structured environments-where time-local descriptions fail-is a computationally challenging task. We modify the numerically exact time evolving matrix product operator (TEMPO) method, such that it allows the repeated computation of the time evolution of the reduced system density matrix for various sets of control parameters at very low computational cost. This method is potentially useful for studying numerous optimal control problems, in particular in solid state quantum devices where the coupling to vibrational modes is typically strong.
Several quantities important in condensed matter physics, quantum information, and quantum chemistry, as well as quantities required in meta-optimization of machine learning algorithms, can be expressed as gradients of implicitly defined functions of the parameters characterizing the system. Here, we show how to leverage implicit differentiation for gradient computation through variational quantum algorithms and explore applications in condensed matter physics, quantum machine learning, and quantum information. A function defined implicitly as the solution of a quantum algorithm, e.g., a variationally obtained ground- or steady-state, can be automatically differentiated using implicit differentiation while being agnostic to how the solution is computed. We apply this notion to the evaluation of physical quantities in condensed matter physics such as generalized susceptibilities studied through a variational quantum algorithm. Moreover, we develop two additional applications of implicit differentiation -- hyperparameter optimization in a quantum machine learning algorithm, and the variational construction of entangled quantum states based on a gradient-based maximization of a geometric measure of entanglement. Our work ties together several types of gradient calculations that can be computed using variational quantum circuits in a general way without relying on tedious analytic derivations, or approximate finite-difference methods.