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 |
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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: | 09 Aug 2024 09:49 |
URI: | https://tuprints.ulb.tu-darmstadt.de/id/eprint/26628 |
PPN: | 52043479X |
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