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Riemannian optimization and automatic differentiation for complex quantum architectures

I. A. Luchnikov, Mikhail Krechetov, Sergey N. Filippov

Published Jul 2, 2020• 12 citations
OpenAlex

Abstract

Optimization methods on Riemannian manifolds are a powerful class of optimization methods that allow performing constrained optimization. We apply first-order Riemannian optimization methods to various problems of quantum physics including entanglement renormalization of local many-body Hamiltonians, quantum control, and quantum tomography. We show that the Riemannian optimization forms a new powerful numerical tool for solving different problems of quantum technologies. Besides, we provide a package written on top of TensorFlow for the Riemannian optimization in quantum physics

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Optimization methods on Riemannian manifolds are a powerful class of optimization methods that allow performing constrained optimization. We apply first-order Riemannian optimization methods to various problems of quantum physics including entanglement renormalization of local many-body Hamiltonians, quantum control, and quantum tomography. We show that the Riemannian optimization forms a new powerful numerical tool for solving different problems of quantum technologies. Besides, we provide a package written on top of TensorFlow for the Riemannian optimization in quantum physics
Many theoretical problems in quantum technology can be formulated and addressed as constrained optimization problems. The most common quantum mechanical constraints such as, e.g., orthogonality of isometric and unitary matrices, CPTP property of quantum channels, and conditions on density matrices, can be seen as quotient or embedded Riemannian manifolds. This allows to use Riemannian optimization techniques for solving quantum-mechanical constrained optimization problems. In the present work, we introduce QGOpt, the library for constrained optimization in quantum technology. QGOpt relies on the underlying Riemannian structure of quantum-mechanical constraints and permits application of standard gradient based optimization methods while preserving quantum mechanical constraints. Moreover, QGOpt is written on top of TensorFlow, which enables automatic differentiation to calculate necessary gradients for optimization. We show two application examples: quantum gate decomposition and quantum tomography.
Abstract Optimization with constraints is a typical problem in quantum physics and quantum information science that becomes especially challenging for high-dimensional systems and complex architectures like tensor networks. Here we use ideas of Riemannian geometry to perform optimization on the manifolds of unitary and isometric matrices as well as the cone of positive-definite matrices. Combining this approach with the up-to-date computational methods of automatic differentiation, we demonstrate the efficacy of the Riemannian optimization in the study of the low-energy spectrum and eigenstates of multipartite Hamiltonians, variational search of a tensor network in the form of the multiscale entanglement-renormalization ansatz, preparation of arbitrary states (including highly entangled ones) in the circuit implementation of quantum computation, decomposition of quantum gates, and tomography of quantum states. Universality of the developed approach together with the provided open source software enable one to apply the Riemannian optimization to complex quantum architectures well beyond the listed problems, for instance, to the optimal control of noisy quantum systems.
Constrained optimization plays a crucial role in the fields of quantum physics and quantum information science and becomes especially challenging for high-dimensional complex structure problems. One specific issue is that of quantum process tomography, in which the goal is to retrieve the underlying quantum process based on a given set of measurement data. In this paper, we introduce a modified version of stochastic gradient descent on a Riemannian manifold that integrates recent advancements in numerical methods for Riemannian optimization. This approach inherently supports the physically driven constraints of a quantum process, takes advantage of state-of-the-art large-scale stochastic objective optimization, and has superior performance to traditional approaches such as maximum likelihood estimation and projected least squares. The data-driven approach enables accurate, order-of-magnitude faster results, and works with incomplete data. We demonstrate our approach on simulations of quantum processes and in hardware by characterizing an engineered process on quantum computers.
Several tensor networks are built of isometric tensors, i.e. tensors satisfying W\dagger W = \mathbb{1} W † W = 1 . Prominent examples include matrix product states (MPS) in canonical form, the multiscale entanglement renormalization ansatz (MERA), and quantum circuits in general, such as those needed in state preparation and quantum variational eigensolvers. We show how gradient-based optimization methods on Riemannian manifolds can be used to optimize tensor networks of isometries to represent e.g. ground states of 1D quantum Hamiltonians. We discuss the geometry of Grassmann and Stiefel manifolds, the Riemannian manifolds of isometric tensors, and review how state-of-the-art optimization methods like nonlinear conjugate gradient and quasi-Newton algorithms can be implemented in this context. We apply these methods in the context of infinite MPS and MERA, and show benchmark results in which they outperform the best previously-known optimization methods, which are tailor-made for those specific variational classes. We also provide open-source implementations of our algorithms.
Constrained optimization plays a crucial role in the fields of quantum physics and quantum information science and becomes especially challenging for high-dimensional complex structure problems. One specific issue is that of quantum process tomography, in which the goal is to retrieve the underlying quantum process based on a given set of measurement data. In this paper, we introduce a modified version of stochastic gradient descent on a Riemannian manifold that integrates recent advancements in numerical methods for Riemannian optimization. This approach inherently supports the physically driven constraints of a quantum process, takes advantage of state-of-the-art large-scale stochastic objective optimization, and has superior performance to traditional approaches such as maximum likelihood estimation and projected least squares. The data-driven approach enables accurate, order-of-magnitude faster results, and works with incomplete data. We demonstrate our approach on simulations of quantum processes and in hardware by characterizing an engineered process on quantum computers.
Methods of optimization and control of quantum systems are widely used for various applications in quantum technologies including laser control of chemical reactions, nuclear magnetic resonance, gate generation for quantum computing, describing quantum transport in photosynthesis, etc. Among many topics in quantum control, we briefly outline Riemannian optimization and gradient projection method (GPM) on complex Stiefel manifolds and their relation to quantum control, as well as various related optimization tools such as incoherent GRAPE (InGRAPE) modification of the gradient ascent pulse engineering (GRAPE) algorithm, GPM in the dynamic picture for constrained optimization, and demonstrate operation of GRAPE and GPM for an investigation of the optimization efficiency over unconstrained and constrained quantum control landscapes for an example of a three-level Ξ\Xi Ξ -system having a seventh-order trap.1