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Published in:
2019 | OriginalPaper | Chapter
On the Effectiveness of the Fast Automatic Differentiation Methodology
Authors : Alla Albu, Andrei Gorchakov, Vladimir Zubov
Published in: Optimization and Applications
Publisher: Springer International Publishing
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Abstract
In this paper, we compare the three approaches for calculating the gradient of a complex function of many variables. The compared approaches are: the use of precise, analytically derived formulas; the usage of formulas derived with the aid of the Fast Automatic Differentiation methodology; the use of standard software packages that implement the ideas of Fast Automatic Differentiation methodology. Comparison of approaches is carried out with the help of a complex function that represents the energy of atoms system whose interaction potential is the Tersoff potential. As a comparison criterion, the computer time required to calculate the gradient of the function is used. The results show the superiority of the Fast Automatic Differentiation methodology in comparison with the approach using analytical formulas. Standard packages compute the function gradient around the same time as using the formula of the Fast Automatic Differentiation methodology.