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	0009-0001-2455-8135
	1402678932

Jan Hellwig

Efficient solutions to modeling time series of NMR spectroscopic data

Universität Rostock, 16.07.2025

https://doi.org/10.18453/rosdok_id00005643

Abstract: In this work, we first discuss the question of whether the problem of modeling NMR time series has ambiguous or unique solutions in the continuous and discrete case and using several common types of model functions. In the second part, we propose an efficient and automated solution, by interpolating the parameters using cubic spline functions. Additionally, we improve on the optimization approach by introducing convolutional neural networks, which better initialize the optimization routines. We demonstrate the functionality of our algorithms on constructed and experimental data sets.

doctoral thesis   free access