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Tensor-train approximation of the chemical master equation and its application for parameter inference

Ion, Ion Gabriel ; Wildner, Christian ; Loukrezis, Dimitrios ; Koeppl, Heinz ; De Gersem, Herbert (2024)
Tensor-train approximation of the chemical master equation and its application for parameter inference.
In: The Journal of Chemical Physics, 2021, 155 (3)
doi: 10.26083/tuprints-00026628
Article, Secondary publication, Publisher's Version

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Item Type: Article
Type of entry: Secondary publication
Title: Tensor-train approximation of the chemical master equation and its application for parameter inference
Language: English
Date: 30 April 2024
Place of Publication: Darmstadt
Year of primary publication: 2021
Place of primary publication: Melville, NY
Publisher: AIP Publishing
Journal or Publication Title: The Journal of Chemical Physics
Volume of the journal: 155
Issue Number: 3
Collation: 17 Seiten
DOI: 10.26083/tuprints-00026628
Corresponding Links:
Origin: Secondary publication service
Abstract:

In this work, we perform Bayesian inference tasks for the chemical master equation in the tensor-train format. The tensor-train approximation has been proven to be very efficient in representing high-dimensional data arising from the explicit representation of the chemical master equation solution. An additional advantage of representing the probability mass function in the tensor-train format is that parametric dependency can be easily incorporated by introducing a tensor product basis expansion in the parameter space. Time is treated as an additional dimension of the tensor and a linear system is derived to solve the chemical master equation in time. We exemplify the tensor-train method by performing inference tasks such as smoothing and parameter inference using the tensor-train framework. A very high compression ratio is observed for storing the probability mass function of the solution. Since all linear algebra operations are performed in the tensor-train format, a significant reduction in the computational time is observed as well.

Uncontrolled Keywords: Bayesian inference, Numerical linear algebra, Algebraic operation, Probability theory, Chemical reaction dynamics, Tensor network theory, Stochastic processes
Identification Number: Artikel-ID: 034102
Status: Publisher's Version
URN: urn:nbn:de:tuda-tuprints-266282
Classification DDC: 000 Generalities, computers, information > 004 Computer science
500 Science and mathematics > 530 Physics
500 Science and mathematics > 540 Chemistry
Divisions: 18 Department of Electrical Engineering and Information Technology > Institute for Telecommunications > Bioinspired Communication Systems
18 Department of Electrical Engineering and Information Technology > Institute for Accelerator Science and Electromagnetic Fields > Computational Electromagnetics
18 Department of Electrical Engineering and Information Technology > Self-Organizing Systems Lab
18 Department of Electrical Engineering and Information Technology > Institute for Accelerator Science and Electromagnetic Fields > Electromagnetic Field Theory (until 31.12.2018 Computational Electromagnetics Laboratory)
Interdisziplinäre Forschungsprojekte > Centre for Synthetic Biology
Date Deposited: 30 Apr 2024 09:06
Last Modified: 30 Apr 2024 09:06
URI: https://tuprints.ulb.tu-darmstadt.de/id/eprint/26628
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