For paving the way to novel applications in quantum simulation, computation, and technology, increasingly large quantum systems have to be steered with high precision. It is a typical task amenable to numerical optimal control to turn the time course of pulses, i.e., piecewise constant control amplitudes, iteratively into an optimized shape. Here, we present a comparative study of optimal-control algorithms for a wide range of finite-dimensional applications. We focus on the most commonly used algorithms: GRAPE methods which update all controls concurrently, and Krotov-type methods which do so sequentially. Guidelines for their use are given and open research questions are pointed out. Moreover, we introduce a unifying algorithmic framework, DYNAMO (dynamic optimization platform), designed to provide the quantum-technology community with a convenient matlab-based tool set for optimal control. In addition, it gives researchers in optimal-control techniques a framework for benchmarking and comparing newly proposed algorithms with the state of the art. It allows a mix-and-match approach with various types of gradients, update and step-size methods as well as subspace choices. Open-source code including examples is made available at http://qlib.info.
For paving the way to novel applications in quantum simulation, computation, and technology, increasingly large quantum systems have to be steered with high precision. It is a typical task amenable to numerical optimal control to turn the time course of pulses, i.e., piecewise constant control amplitudes, iteratively into an optimized shape. Here, we present a comparative study of optimal-control algorithms for a wide range of finite-dimensional applications. We focus on the most commonly used algorithms: GRAPE methods which update all controls concurrently, and Krotov-type methods which do so sequentially. Guidelines for their use are given and open research questions are pointed out. Moreover, we introduce a unifying algorithmic framework, DYNAMO (dynamic optimization platform), designed to provide the quantum-technology community with a convenient matlab-based tool set for optimal control. In addition, it gives researchers in optimal-control techniques a framework for benchmarking and comparing newly proposed algorithms with the state of the art. It allows a mix-and-match approach with various types of gradients, update and step-size methods as well as subspace choices. Open-source code including examples is made available at http://qlib.info.
Efficient algorithms are of fundamental importance for the discovery of optimal control designs for coherent control of quantum processes. One important class of algorithms is sequential update algorithms, generally attributed to Krotov. Although widely and often successfully used, the associated theory is often involved and leaves many crucial questions unanswered, from the monotonicity and convergence of the algorithm to discretization effects, leading to the introduction of ad hoc penalty terms and suboptimal update schemes detrimental to the performance of the algorithm. We present a general framework for sequential update algorithms including specific prescriptions for efficient update rules with inexpensive dynamic search length control, taking into account discretization effects and eliminating the need for ad hoc penalty terms. The latter, despite being necessary for regularizing the problem in the limit of infinite time resolution, i.e. the continuum limit, are shown to be undesirable and unnecessary in the practically relevant case of finite time resolution. Numerical examples show that the ideas underlying many of these results extend even beyond what can be rigorously proved.
Abstract The mathematics of optimal control of quantum systems is of great interest in connection with fundamental problems of physics as well as with existing and prospective applications to quantum technologies. One important problem is the development of methods for constructing controls for quantum systems. One of the commonly used methods is the Krotov method, which was initially proposed outside of quantum control theory in articles by Krotov and Feldman (1978, 1983). This method was used to develop a novel approach to finding optimal controls for quantum systems in [64] (Tannor, Kazakov, and Orlov, 1992), [65] (Somlói, Kazakov, and Tannor, 1993), and in many other works by various scientists. Our survey discusses mathematical aspects of this method for optimal control of closed quantum systems. It outlines various modifications with different forms of the improvement function (for example, linear or linear-quadratic), different constraints on the control spectrum and on the admissible states of the quantum system, different regularisers, and so on. The survey describes applications of the Krotov method to controlling molecular dynamics and Bose–Einstein condensates, and to quantum gate generation. This method is compared with the GRAPE (GRadient Ascent Pulse Engineering) method, the CRAB (Chopped Random-Basis) method, and the Zhu–Rabitz and Maday–Turinici methods. Bibliography: 158 titles.
An exquisite control over the dynamics of a quantum system is essential for realizing any quantum technology. This thesis presents some practical and efficient strategies for coherent quantum control: a paradigm for controlling quantum dynamics using electromagnetic fields. Coherent control is a common framework for describing the physical implementation of quantum logic gates in several quantum information processing platforms including superconducting qubits and trapped ions. For the purpose of demonstration, however, liquid-state Nuclear Magnetic Resonance (NMR) is used in this thesis as it is an ideal test-bed for developing, testing and benchmarking coherent control tools and techniques. Coherent control was revitalised in 2005 by the development of Gradient Ascent Pulse Engineering (GRAPE), a powerful optimal control technique that is widely used for designing shaped pulses for a variety of tasks. GRAPE, like any other closed-loop optimal control algorithm, requires multiple evaluations of the computationally expensive matrix exponential and the full time-evolution propagator. To this end, I present strategies to sidestep the explicit evaluation of matrix exponentials, thereby offering substantial speed-ups over conventional implementations of the GRAPE algorithm. The results are demonstrated experimentally in NMR, but also in simulations of ultracold molecules and superconducting qubits. Beyond GRAPE, this thesis also considers methods for designing spin-echo sequences for implementing any arbitrary network of controlled-Z gates in a system of qubits with zz-couplings. First, a method based on linear-programming provides near time-optimal sequences in fully-coupled systems having up to a few hundred qubits. Further, an analytic method based on graph colouring finds near time-optimal spin echo sequences in engineered systems with any number of qubits having only nearest and next-nearest neighbour-couplings.
Quantum computing vendors are beginning to open up application programming interfaces for direct pulse-level quantum control. With this, programmers can begin to describe quantum kernels of execution via sequences of arbitrary pulse shapes. This opens new avenues of research and development with regards to smart quantum compilation routines that enable direct translation of higher-level digital assembly representations to these native pulse instructions. In this work, we present an extension to the XACC system-level quantum-classical software framework that directly enables this compilation lowering phase via user-specified quantum optimal control techniques. This extension enables the translation of digital quantum circuit representations to equivalent pulse sequences that are optimal with respect to the backend system dynamics. Our work is modular and extensible, enabling third party optimal control techniques and strategies in both C++ and Python. We demonstrate this extension with familiar gradient-based methods like gradient ascent pulse engineering (GRAPE), gradient optimization of analytic controls (GOAT), and Krotov's method. Our work serves as a foundational component of future quantum-classical compiler designs that lower high-level programmatic representations to low-level machine instructions.
Quantum control aims to manipulate quantum systems toward specific quantum states or desired operations. Designing highly accurate and effective control steps is vitally important to various quantum applications, including energy minimization and circuit compilation. In this paper we focus on discrete binary quantum control problems and apply different optimization algorithms and techniques to improve computational efficiency and solution quality. Specifically, we develop a generic model and extend it in several ways. We introduce a squared L2 -penalty function to handle additional side constraints, to model requirements such as allowing at most one control to be active. We introduce a total variation (TV) regularizer to reduce the number of switches in the control. We modify the popular gradient ascent pulse engineering (GRAPE) algorithm, develop a new alternating direction method of multipliers (ADMM) algorithm to solve the continuous relaxation of the penalized model, and then apply rounding techniques to obtain binary control solutions. We propose a modified trust-region method to further improve the solutions. Our algorithms can obtain high-quality control results, as demonstrated by numerical studies on diverse quantum control examples.
Mathematical problems of optimal control of quantum systems attract high interest in connection with both fundamental questions and existing and prospective applications. An important problem is the development of methods for constructing controls for quantum systems. One of the widely used methods is the Krotov method. The article is the first part of the review devoted to mathematical aspects of this method for optimal control of quantum systems. Beyond quantum control this method was suggested in the articles [V.F. Krotov, I.N. Feldman, Eng. Cybern. 1983. Vol. 21, 123], [A.I. Konnov, V.F. Krotov, Automat. Remote Control, 1999], and then adopted to optimal quantum control in papers by V.A. Kazakov, V.F. Krotov, R. Kosloff, C.P. Koch, D.J. Tannor, and others. The review considers this method, including cases with constraints on control spectrum and on states of the quantum system, various ways for choosing the improvement function, in particular, linear or linear-quadratic form, etc. We also discuss GRAPE (GRadient Ascent Pulse Engineering) and CRAB (Chopped Random-Basis) methods, as well as combined methods such as the method suggested by I. Maday and G. Turinici for generalizing the 1st order Krotov method and the Zhu-Rabitz method. Nowadays, various versions of the Krotov method are used as a key tool in optimal quantum control, and the review describes applications of this method to mathematical control problems for molecular dynamics, Bose-Einstein condensate, nuclear-magnetic resonance, quantum gates generation, etc. The first part of the review is devoted to closed quantum systems.