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DOE OSTI · 2467396

Calculation of machine precision second order derivatives using dual-complex numbers

Millwater, Harry·Balcer, Matthew Ryan·Millwater, Nathan
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Abstract

It is well known that both complex and dual numbers can be employed to obtain machine precision first-order derivatives; however, neither, on their own, can compute machine precision 2nd order derivatives. To address this limitation, it is demonstrated in this paper that combined dual-complex numbers can be used to compute machine precision 1st and 2nd order derivatives. The dual-complex approach is simpler than utilizing multicomplex or hyper-dual numbers as existing dual libraries can be used as is or easily augmented to accept complex numbers, and the complexity of developing, integrating, and deploying multicomplex or hyper-dual libraries is avoided. The efficacy of this approach is demonstrated for both univariate and multivariate functions. Finally, source code examples using the Python, Julia, and Mathematica languages are provided as supplemental material.

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97 MATHEMATICS AND COMPUTINGComplex Taylor Series Expansionautomatic differentiationdual numbersnumerical methodssensitivity methods

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Millwater, Harry, Balcer, Matthew Ryan, Millwater, Nathan. 2024-10-04. Calculation of machine precision second order derivatives using dual-complex numbers. https://doi.org/10.1007/s11075-024-01937-2

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