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Memory effects and static disorder reduce information in single-molecule signals

Kevin Song, Dmitrii E. Makarov, Etienne Vouga
doi: https://doi.org/10.1101/2022.01.13.476256
Kevin Song
1Department of Computer Science, University of Texas at Austin, Austin, Texas 78712
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Dmitrii E. Makarov
2Department of Chemistry and Biochemistry, University of Texas at Austin, Austin, Texas 78712
3Oden Institute for Computational Engineering and Sciences, University of Texas at Austin, Austin, Texas 78712
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  • For correspondence: makarov@cm.utexas.edu
Etienne Vouga
1Department of Computer Science, University of Texas at Austin, Austin, Texas 78712
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Abstract

A key theoretical challenge posed by single-molecule studies is the inverse problem of deducing the underlying molecular dynamics from the time evolution of low-dimensional experimental observables. Toward this goal, a variety of low-dimensional models have been proposed as descriptions of single-molecule signals, including random walks with or without conformational memory and/or with static or dynamics disorder. Differentiating among different models presents a challenge, as many distinct physical scenarios lead to similar experimentally observable behaviors such as anomalous diffusion and nonexponential relaxation. Here we show that information-theory-based analysis of single-molecule time series, inspired by Shannon’s work studying the information content of printed English, can differentiate between Markov (memoryless) and non-Markov single-molecule signals and between static and dynamic disorder. In particular, non-Markov time series are more predictable and thus can be compressed and transmitted within shorter messages (i.e. have a lower entropy rate) than appropriately constructed Markov approximations, and we demonstrate that in practice the LZMA compression algorithm reliably differentiates between these entropy rates across several simulated dynamical models.

Competing Interest Statement

The authors have declared no competing interest.

Copyright 
The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY-NC-ND 4.0 International license.
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Posted January 16, 2022.
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Memory effects and static disorder reduce information in single-molecule signals
Kevin Song, Dmitrii E. Makarov, Etienne Vouga
bioRxiv 2022.01.13.476256; doi: https://doi.org/10.1101/2022.01.13.476256
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Memory effects and static disorder reduce information in single-molecule signals
Kevin Song, Dmitrii E. Makarov, Etienne Vouga
bioRxiv 2022.01.13.476256; doi: https://doi.org/10.1101/2022.01.13.476256

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