Fisher information for smart sampling in time-domain spectroscopy.
J Chem Phys
; 160(21)2024 Jun 07.
Article
en En
| MEDLINE
| ID: mdl-38828816
ABSTRACT
Time-domain spectroscopy encompasses a wide range of techniques, such as Fourier-transform infrared, pump-probe, Fourier-transform Raman, and two-dimensional electronic spectroscopies. These methods enable various applications, such as molecule characterization, excited state dynamics studies, or spectral classification. Typically, these techniques rarely use sampling schemes that exploit the prior knowledge scientists typically have before the actual experiment. Indeed, not all sampling coordinates carry the same amount of information, and a careful selection of the sampling points may notably affect the resulting performance. In this work, we rationalize, with examples, the various advantages of using an optimal sampling scheme tailored to the specific experimental characteristics and/or expected results. We show that using a sampling scheme optimizing the Fisher information minimizes the variance of the desired parameters. This can greatly improve, for example, spectral classifications and multidimensional spectroscopy. We demonstrate how smart sampling may reduce the acquisition time of an experiment by one to two orders of magnitude, while still providing a similar level of information.
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1
Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
J Chem Phys
Año:
2024
Tipo del documento:
Article
País de afiliación:
España
Pais de publicación:
Estados Unidos