Fisher information for smart sampling in time-domain spectroscopy
Bolzonello, Luca ; van Hulst, Niek F. and Jakobsson, Andreas LU
(2024)
In Journal of Chemical Physics
160(21).
- 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... (More)
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.
(Less)
- author
- Bolzonello, Luca
; van Hulst, Niek F.
and Jakobsson, Andreas
LU
- organization
- publishing date
- 2024-06-07
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Journal of Chemical Physics
- volume
- 160
- issue
- 21
- article number
- 214110
- publisher
- American Institute of Physics (AIP)
- external identifiers
-
- pmid:38828816
- scopus:85195003639
- ISSN
- 0021-9606
- DOI
- 10.1063/5.0206838
- language
- English
- LU publication?
- yes
- id
- c40ec12d-450b-45ae-a251-f548458ddbd9
- date added to LUP
- 2024-08-14 13:56:46
- date last changed
- 2024-09-11 17:29:37
@article{c40ec12d-450b-45ae-a251-f548458ddbd9,
abstract = {{<p>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.</p>}},
author = {{Bolzonello, Luca and van Hulst, Niek F. and Jakobsson, Andreas}},
issn = {{0021-9606}},
language = {{eng}},
month = {{06}},
number = {{21}},
publisher = {{American Institute of Physics (AIP)}},
series = {{Journal of Chemical Physics}},
title = {{Fisher information for smart sampling in time-domain spectroscopy}},
url = {{http://dx.doi.org/10.1063/5.0206838}},
doi = {{10.1063/5.0206838}},
volume = {{160}},
year = {{2024}},
}