Fisher Information in Time-Domain Spectroscopy

TL;DR

This paper introduces a Fisher information-based approach to optimize sampling schemes in time-domain spectroscopy, significantly reducing acquisition time while maintaining spectral information quality.

Contribution

It proposes a novel method to tailor sampling schemes using Fisher information, enhancing efficiency and accuracy in various spectroscopy techniques.

Findings

Smart sampling reduces acquisition time by 10-100 times.

Fisher information optimization improves spectral classification accuracy.

The method is applicable across multiple time-domain spectroscopy techniques.

Abstract

Spectroscopy detected in the time domain entails many techniques, such as FTIR, pump-probe, FT-Raman, and 2DES, and applications, such as molecule characterization, excited state dynamics studies, or spectra classifications. Surprisingly, all these techniques use sampling schemes that rarely exploit the a priori knowledge the scientist has before the experiment. Indeed, not all the sampling coordinates carry the same amount of information. In this work, we rationalize with examples the various advantages of a smart sampling scheme tailored to the specific experiment characteristics and/or the expected results. The application of a Fisher information approach allows for finding the best sampling scheme to minimize the variance of a desired observable, greatly improving, for example, spectral classifications and multidimensional spectroscopy. In general, we demonstrate how a smart sampling allows reducing by one to two orders of magnitude the acquisition time of an experiment while still providing a similar level of information.