期刊
JOURNAL OF CHEMICAL PHYSICS
卷 144, 期 20, 页码 -出版社
AIP Publishing
DOI: 10.1063/1.4949534
关键词
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资金
- EPSRC [EP/H003789/1]
- European Commission [297861/QUAINT]
- Engineering and Physical Sciences Research Council [EP/H003789/1, 1361717] Funding Source: researchfish
- EPSRC [EP/H003789/1] Funding Source: UKRI
Quadratic convergence throughout the active space is achieved for the gradient ascent pulse engineering (GRAPE) family of quantum optimal control algorithms. We demonstrate in this communication that the Hessian of the GRAPE fidelity functional is unusually cheap, having the same asymptotic complexity scaling as the functional itself. This leads to the possibility of using very efficient numerical optimization techniques. In particular, the Newton-Raphson method with a rational function optimization (RFO) regularized Hessian is shown in this work to require fewer system trajectory evaluations than any other algorithm in the GRAPE family. This communication describes algebraic and numerical implementation aspects (matrix exponential recycling, Hessian regularization, etc.) for the RFO Newton-Raphson version of GRAPE and reports benchmarks for common spin state control problems in magnetic resonance spectroscopy. Published by AIP Publishing.
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