For a large class of variational quantum circuits, we show how arbitrary-order derivatives can be analytically evaluated in terms of simple parameter-shift rules, i.e., by running the same circuit with different shifts of the parameters. As particular cases, we obtain parameter-shift rules for the Hessian of an expectation value and for the metric tensor of a variational state, both of which can be efficiently used to analytically implement second-order optimization algorithms on a quantum computer. We also consider the impact of statistical noise by studying the mean squared error of different derivative estimators. In the second part of this work, some of the theoretical techniques for evaluating quantum derivatives are applied to their typical use case: the implementation of quantum optimizers. We find that the performance of different estimators and optimizers is intertwined with the values of different hyperparameters, such as a step size or a number of shots. Our findings are supported by several numerical and hardware experiments, including an experimental estimation of the Hessian of a simple variational circuit and an implementation of the Newton optimizer.
Quantum Algorithm for Estimating Gibbs Free Energy and Entropy via Energy Derivatives
Innovation and Digital Science, bp(bp 创新与数字科学);University of Toronto(多伦多大学);Pacific Northwest National Laboratory(太平洋西北国家实验室);Canadian Institute for Advanced Research(加拿大高级研究院)
A quantum implementation of high-order power method for estimating geometric entanglement of pure states
Equal1 Labs(Equal1实验室);Department of Mathematics, University of Trento(特伦托大学数学系);School of Electrical & Electronic Engineering, University College Dublin(都柏林大学学院电气与电子工程学院)
Data-Efficient Quantum Noise Modeling via Machine Learning
Institute for Quantum Computing Analytics (PGI-12), Forschungszentrum Jülich(于利希研究中心量子计算分析研究所);Fraunhofer Institute for Manufacturing Engineering and Automation (IPA)(弗劳恩霍夫制造工程与自动化研究所);Heilbronn University of Applied Sciences(海尔布隆应用技术大学);Institute of Computer Architecture and Computer Engineering, University of Stuttgart(斯图加特大学计算机体系结构与计算机工程研究所);Theoretical Physics, Saarland University(萨尔兰州立大学理论物理系)
Designing a Machine Learning-Driven, Cross-Hardware Emulator for Noisy Quantum Computers with Gate-Based Protocols
Institute of High Performance Computing (IHPC), Agency for Science, Technology and Research (A*STAR)(高性能计算研究所,科学技术研究局);Dipartimento di Fisica, Università degli Studi di Milano(米兰大学物理系);INFN, Sezione di Milano(意大利国家核物理研究所,米兰分部);Theoretical Physics Department, CERN(欧洲核子研究中心理论物理部);Quantum Research Center, Technology Innovation Institute(技术创新研究所量子研究中心)
Quantum Derivative Pricing for SPDEs via BDSDE Representation
Yau Mathematical Sciences Center, Tsinghua University(丘成桐数学科学中心,清华大学);Qiuzhen College, Tsinghua University(邱士林学院,清华大学);Institute for AI Industry Research, Tsinghua University(清华人工智能研究院,清华大学);Department of Mathematics, Tsinghua University(数学系,清华大学);Yanqi Lake Beijing Institute of Mathematical Sciences and Applications(北京雁栖湖应用数学研究院);Institute for Applied Mathematics, Tsinghua University(应用数学研究所,清华大学)