---
_id: '10939'
abstract:
- lang: eng
  text: Understanding and characterising biochemical processes inside single cells
    requires experimental platforms that allow one to perturb and observe the dynamics
    of such processes as well as computational methods to build and parameterise models
    from the collected data. Recent progress with experimental platforms and optogenetics
    has made it possible to expose each cell in an experiment to an individualised
    input and automatically record cellular responses over days with fine time resolution.
    However, methods to infer parameters of stochastic kinetic models from single-cell
    longitudinal data have generally been developed under the assumption that experimental
    data is sparse and that responses of cells to at most a few different input perturbations
    can be observed. Here, we investigate and compare different approaches for calculating
    parameter likelihoods of single-cell longitudinal data based on approximations
    of the chemical master equation (CME) with a particular focus on coupling the
    linear noise approximation (LNA) or moment closure methods to a Kalman filter.
    We show that, as long as cells are measured sufficiently frequently, coupling
    the LNA to a Kalman filter allows one to accurately approximate likelihoods and
    to infer model parameters from data even in cases where the LNA provides poor
    approximations of the CME. Furthermore, the computational cost of filtering-based
    iterative likelihood evaluation scales advantageously in the number of measurement
    times and different input perturbations and is thus ideally suited for data obtained
    from modern experimental platforms. To demonstrate the practical usefulness of
    these results, we perform an experiment in which single cells, equipped with an
    optogenetic gene expression system, are exposed to various different light-input
    sequences and measured at several hundred time points and use parameter inference
    based on iterative likelihood evaluation to parameterise a stochastic model of
    the system.
acknowledgement: We thank Virgile Andreani for useful discussions about the model
  and parameter inference. We thank Johan Paulsson and Jeffrey J Tabor for kind gifts
  of plasmids. R was supported by the ANR grant CyberCircuits (ANR-18-CE91-0002).
  The funders had no role in study design, data collection and analysis, decision
  to publish, or preparation of the manuscript.
article_number: e1009950
article_processing_charge: No
article_type: original
author:
- first_name: Anđela
  full_name: Davidović, Anđela
  last_name: Davidović
- first_name: Remy P
  full_name: Chait, Remy P
  id: 3464AE84-F248-11E8-B48F-1D18A9856A87
  last_name: Chait
  orcid: 0000-0003-0876-3187
- first_name: Gregory
  full_name: Batt, Gregory
  last_name: Batt
- first_name: Jakob
  full_name: Ruess, Jakob
  id: 4A245D00-F248-11E8-B48F-1D18A9856A87
  last_name: Ruess
  orcid: 0000-0003-1615-3282
citation:
  ama: Davidović A, Chait RP, Batt G, Ruess J. Parameter inference for stochastic
    biochemical models from perturbation experiments parallelised at the single cell
    level. <i>PLoS Computational Biology</i>. 2022;18(3). doi:<a href="https://doi.org/10.1371/journal.pcbi.1009950">10.1371/journal.pcbi.1009950</a>
  apa: Davidović, A., Chait, R. P., Batt, G., &#38; Ruess, J. (2022). Parameter inference
    for stochastic biochemical models from perturbation experiments parallelised at
    the single cell level. <i>PLoS Computational Biology</i>. Public Library of Science.
    <a href="https://doi.org/10.1371/journal.pcbi.1009950">https://doi.org/10.1371/journal.pcbi.1009950</a>
  chicago: Davidović, Anđela, Remy P Chait, Gregory Batt, and Jakob Ruess. “Parameter
    Inference for Stochastic Biochemical Models from Perturbation Experiments Parallelised
    at the Single Cell Level.” <i>PLoS Computational Biology</i>. Public Library of
    Science, 2022. <a href="https://doi.org/10.1371/journal.pcbi.1009950">https://doi.org/10.1371/journal.pcbi.1009950</a>.
  ieee: A. Davidović, R. P. Chait, G. Batt, and J. Ruess, “Parameter inference for
    stochastic biochemical models from perturbation experiments parallelised at the
    single cell level,” <i>PLoS Computational Biology</i>, vol. 18, no. 3. Public
    Library of Science, 2022.
  ista: Davidović A, Chait RP, Batt G, Ruess J. 2022. Parameter inference for stochastic
    biochemical models from perturbation experiments parallelised at the single cell
    level. PLoS Computational Biology. 18(3), e1009950.
  mla: Davidović, Anđela, et al. “Parameter Inference for Stochastic Biochemical Models
    from Perturbation Experiments Parallelised at the Single Cell Level.” <i>PLoS
    Computational Biology</i>, vol. 18, no. 3, e1009950, Public Library of Science,
    2022, doi:<a href="https://doi.org/10.1371/journal.pcbi.1009950">10.1371/journal.pcbi.1009950</a>.
  short: A. Davidović, R.P. Chait, G. Batt, J. Ruess, PLoS Computational Biology 18
    (2022).
date_created: 2022-04-03T22:01:42Z
date_published: 2022-03-18T00:00:00Z
date_updated: 2022-04-04T10:21:53Z
day: '18'
ddc:
- '570'
- '000'
department:
- _id: CaGu
doi: 10.1371/journal.pcbi.1009950
file:
- access_level: open_access
  checksum: 458ef542761fb714ced214f240daf6b2
  content_type: application/pdf
  creator: dernst
  date_created: 2022-04-04T10:14:39Z
  date_updated: 2022-04-04T10:14:39Z
  file_id: '10947'
  file_name: 2022_PLoSCompBio_Davidovic.pdf
  file_size: 2958642
  relation: main_file
  success: 1
file_date_updated: 2022-04-04T10:14:39Z
has_accepted_license: '1'
intvolume: '        18'
issue: '3'
language:
- iso: eng
month: '03'
oa: 1
oa_version: Published Version
publication: PLoS Computational Biology
publication_identifier:
  eissn:
  - 1553-7358
  issn:
  - 1553-734X
publication_status: published
publisher: Public Library of Science
quality_controlled: '1'
related_material:
  link:
  - relation: software
    url: https://gitlab.pasteur.fr/adavidov/inferencelnakf
scopus_import: '1'
status: public
title: Parameter inference for stochastic biochemical models from perturbation experiments
  parallelised at the single cell level
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 18
year: '2022'
...
---
_id: '6784'
abstract:
- lang: eng
  text: Mathematical models have been used successfully at diverse scales of biological
    organization, ranging from ecology and population dynamics to stochastic reaction
    events occurring between individual molecules in single cells. Generally, many
    biological processes unfold across multiple scales, with mutations being the best
    studied example of how stochasticity at the molecular scale can influence outcomes
    at the population scale. In many other contexts, however, an analogous link between
    micro- and macro-scale remains elusive, primarily due to the challenges involved
    in setting up and analyzing multi-scale models. Here, we employ such a model to
    investigate how stochasticity propagates from individual biochemical reaction
    events in the bacterial innate immune system to the ecology of bacteria and bacterial
    viruses. We show analytically how the dynamics of bacterial populations are shaped
    by the activities of immunity-conferring enzymes in single cells and how the ecological
    consequences imply optimal bacterial defense strategies against viruses. Our results
    suggest that bacterial populations in the presence of viruses can either optimize
    their initial growth rate or their population size, with the first strategy favoring
    simple immunity featuring a single restriction modification system and the second
    strategy favoring complex bacterial innate immunity featuring several simultaneously
    active restriction modification systems.
article_number: e1007168
article_processing_charge: No
article_type: original
author:
- first_name: Jakob
  full_name: Ruess, Jakob
  id: 4A245D00-F248-11E8-B48F-1D18A9856A87
  last_name: Ruess
  orcid: 0000-0003-1615-3282
- first_name: Maros
  full_name: Pleska, Maros
  id: 4569785E-F248-11E8-B48F-1D18A9856A87
  last_name: Pleska
  orcid: 0000-0001-7460-7479
- first_name: Calin C
  full_name: Guet, Calin C
  id: 47F8433E-F248-11E8-B48F-1D18A9856A87
  last_name: Guet
  orcid: 0000-0001-6220-2052
- first_name: Gašper
  full_name: Tkačik, Gašper
  id: 3D494DCA-F248-11E8-B48F-1D18A9856A87
  last_name: Tkačik
  orcid: 0000-0002-6699-1455
citation:
  ama: Ruess J, Pleska M, Guet CC, Tkačik G. Molecular noise of innate immunity shapes
    bacteria-phage ecologies. <i>PLoS Computational Biology</i>. 2019;15(7). doi:<a
    href="https://doi.org/10.1371/journal.pcbi.1007168">10.1371/journal.pcbi.1007168</a>
  apa: Ruess, J., Pleska, M., Guet, C. C., &#38; Tkačik, G. (2019). Molecular noise
    of innate immunity shapes bacteria-phage ecologies. <i>PLoS Computational Biology</i>.
    Public Library of Science. <a href="https://doi.org/10.1371/journal.pcbi.1007168">https://doi.org/10.1371/journal.pcbi.1007168</a>
  chicago: Ruess, Jakob, Maros Pleska, Calin C Guet, and Gašper Tkačik. “Molecular
    Noise of Innate Immunity Shapes Bacteria-Phage Ecologies.” <i>PLoS Computational
    Biology</i>. Public Library of Science, 2019. <a href="https://doi.org/10.1371/journal.pcbi.1007168">https://doi.org/10.1371/journal.pcbi.1007168</a>.
  ieee: J. Ruess, M. Pleska, C. C. Guet, and G. Tkačik, “Molecular noise of innate
    immunity shapes bacteria-phage ecologies,” <i>PLoS Computational Biology</i>,
    vol. 15, no. 7. Public Library of Science, 2019.
  ista: Ruess J, Pleska M, Guet CC, Tkačik G. 2019. Molecular noise of innate immunity
    shapes bacteria-phage ecologies. PLoS Computational Biology. 15(7), e1007168.
  mla: Ruess, Jakob, et al. “Molecular Noise of Innate Immunity Shapes Bacteria-Phage
    Ecologies.” <i>PLoS Computational Biology</i>, vol. 15, no. 7, e1007168, Public
    Library of Science, 2019, doi:<a href="https://doi.org/10.1371/journal.pcbi.1007168">10.1371/journal.pcbi.1007168</a>.
  short: J. Ruess, M. Pleska, C.C. Guet, G. Tkačik, PLoS Computational Biology 15
    (2019).
date_created: 2019-08-11T21:59:19Z
date_published: 2019-07-02T00:00:00Z
date_updated: 2023-08-29T07:10:06Z
day: '02'
ddc:
- '570'
department:
- _id: CaGu
- _id: GaTk
doi: 10.1371/journal.pcbi.1007168
external_id:
  isi:
  - '000481577700032'
file:
- access_level: open_access
  checksum: 7ded4721b41c2a0fc66a1c634540416a
  content_type: application/pdf
  creator: dernst
  date_created: 2019-08-12T12:27:26Z
  date_updated: 2020-07-14T12:47:40Z
  file_id: '6803'
  file_name: 2019_PlosComputBiology_Ruess.pdf
  file_size: 2200003
  relation: main_file
file_date_updated: 2020-07-14T12:47:40Z
has_accepted_license: '1'
intvolume: '        15'
isi: 1
issue: '7'
language:
- iso: eng
month: '07'
oa: 1
oa_version: Published Version
project:
- _id: 251D65D8-B435-11E9-9278-68D0E5697425
  grant_number: '24210'
  name: Effects of Stochasticity on the Function of Restriction-Modi cation Systems
    at the Single-Cell Level
- _id: 251BCBEC-B435-11E9-9278-68D0E5697425
  grant_number: RGY0079/2011
  name: Multi-Level Conflicts in Evolutionary Dynamics of Restriction-Modification
    Systems
publication: PLoS Computational Biology
publication_identifier:
  eissn:
  - 1553-7358
publication_status: published
publisher: Public Library of Science
quality_controlled: '1'
related_material:
  record:
  - id: '9786'
    relation: research_data
    status: public
scopus_import: '1'
status: public
title: Molecular noise of innate immunity shapes bacteria-phage ecologies
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 15
year: '2019'
...
---
_id: '9786'
article_processing_charge: No
author:
- first_name: Jakob
  full_name: Ruess, Jakob
  id: 4A245D00-F248-11E8-B48F-1D18A9856A87
  last_name: Ruess
  orcid: 0000-0003-1615-3282
- first_name: Maros
  full_name: Pleska, Maros
  id: 4569785E-F248-11E8-B48F-1D18A9856A87
  last_name: Pleska
  orcid: 0000-0001-7460-7479
- first_name: Calin C
  full_name: Guet, Calin C
  id: 47F8433E-F248-11E8-B48F-1D18A9856A87
  last_name: Guet
  orcid: 0000-0001-6220-2052
- first_name: Gašper
  full_name: Tkačik, Gašper
  id: 3D494DCA-F248-11E8-B48F-1D18A9856A87
  last_name: Tkačik
  orcid: 0000-0002-6699-1455
citation:
  ama: Ruess J, Pleska M, Guet CC, Tkačik G. Supporting text and results. 2019. doi:<a
    href="https://doi.org/10.1371/journal.pcbi.1007168.s001">10.1371/journal.pcbi.1007168.s001</a>
  apa: Ruess, J., Pleska, M., Guet, C. C., &#38; Tkačik, G. (2019). Supporting text
    and results. Public Library of Science. <a href="https://doi.org/10.1371/journal.pcbi.1007168.s001">https://doi.org/10.1371/journal.pcbi.1007168.s001</a>
  chicago: Ruess, Jakob, Maros Pleska, Calin C Guet, and Gašper Tkačik. “Supporting
    Text and Results.” Public Library of Science, 2019. <a href="https://doi.org/10.1371/journal.pcbi.1007168.s001">https://doi.org/10.1371/journal.pcbi.1007168.s001</a>.
  ieee: J. Ruess, M. Pleska, C. C. Guet, and G. Tkačik, “Supporting text and results.”
    Public Library of Science, 2019.
  ista: Ruess J, Pleska M, Guet CC, Tkačik G. 2019. Supporting text and results, Public
    Library of Science, <a href="https://doi.org/10.1371/journal.pcbi.1007168.s001">10.1371/journal.pcbi.1007168.s001</a>.
  mla: Ruess, Jakob, et al. <i>Supporting Text and Results</i>. Public Library of
    Science, 2019, doi:<a href="https://doi.org/10.1371/journal.pcbi.1007168.s001">10.1371/journal.pcbi.1007168.s001</a>.
  short: J. Ruess, M. Pleska, C.C. Guet, G. Tkačik, (2019).
date_created: 2021-08-06T08:23:43Z
date_published: 2019-07-02T00:00:00Z
date_updated: 2023-08-29T07:10:05Z
day: '02'
department:
- _id: CaGu
- _id: GaTk
doi: 10.1371/journal.pcbi.1007168.s001
month: '07'
oa_version: Published Version
publisher: Public Library of Science
related_material:
  record:
  - id: '6784'
    relation: used_in_publication
    status: public
status: public
title: Supporting text and results
type: research_data_reference
user_id: 6785fbc1-c503-11eb-8a32-93094b40e1cf
year: '2019'
...
---
_id: '613'
abstract:
- lang: eng
  text: 'Bacteria in groups vary individually, and interact with other bacteria and
    the environment to produce population-level patterns of gene expression. Investigating
    such behavior in detail requires measuring and controlling populations at the
    single-cell level alongside precisely specified interactions and environmental
    characteristics. Here we present an automated, programmable platform that combines
    image-based gene expression and growth measurements with on-line optogenetic expression
    control for hundreds of individual Escherichia coli cells over days, in a dynamically
    adjustable environment. This integrated platform broadly enables experiments that
    bridge individual and population behaviors. We demonstrate: (i) population structuring
    by independent closed-loop control of gene expression in many individual cells,
    (ii) cell-cell variation control during antibiotic perturbation, (iii) hybrid
    bio-digital circuits in single cells, and freely specifiable digital communication
    between individual bacteria. These examples showcase the potential for real-time
    integration of theoretical models with measurement and control of many individual
    cells to investigate and engineer microbial population behavior.'
acknowledgement: We are grateful to M. Lang, H. Janovjak, M. Khammash, A. Milias-Argeitis,
  M. Rullan, G. Batt, A. Bosma-Moody, Aryan, S. Leibler, and members of the Guet and
  Tkačik groups for helpful discussion, comments, and suggestions. We thank A. Moglich,
  T. Mathes, J. Tabor, and S. Schmidl for kind gifts of strains, and R. Hauschild,
  B. Knep, M. Lang, T. Asenov, E. Papusheva, T. Menner, T. Adletzberger, and J. Merrin
  for technical assistance. The research leading to these results has received funding
  from the People Programme (Marie Curie Actions) of the European Union’s Seventh
  Framework Programme (FP7/2007–2013) under REA grant agreement no. [291734]. (to
  R.C. and J.R.), Austrian Science Fund grant FWF P28844 (to G.T.), and internal IST
  Austria Interdisciplinary Project Support. J.R. acknowledges support from the Agence
  Nationale de la Recherche (ANR) under Grant Nos. ANR-16-CE33-0018 (MEMIP), ANR-16-CE12-0025
  (COGEX) and ANR-10-BINF-06-01 (ICEBERG).
article_number: '1535'
article_processing_charge: Yes (in subscription journal)
author:
- first_name: Remy P
  full_name: Chait, Remy P
  id: 3464AE84-F248-11E8-B48F-1D18A9856A87
  last_name: Chait
  orcid: 0000-0003-0876-3187
- first_name: Jakob
  full_name: Ruess, Jakob
  id: 4A245D00-F248-11E8-B48F-1D18A9856A87
  last_name: Ruess
  orcid: 0000-0003-1615-3282
- first_name: Tobias
  full_name: Bergmiller, Tobias
  id: 2C471CFA-F248-11E8-B48F-1D18A9856A87
  last_name: Bergmiller
  orcid: 0000-0001-5396-4346
- first_name: Gasper
  full_name: Tkacik, Gasper
  id: 3D494DCA-F248-11E8-B48F-1D18A9856A87
  last_name: Tkacik
  orcid: 0000-0002-6699-1455
- first_name: Calin C
  full_name: Guet, Calin C
  id: 47F8433E-F248-11E8-B48F-1D18A9856A87
  last_name: Guet
  orcid: 0000-0001-6220-2052
citation:
  ama: Chait RP, Ruess J, Bergmiller T, Tkačik G, Guet CC. Shaping bacterial population
    behavior through computer interfaced control of individual cells. <i>Nature Communications</i>.
    2017;8(1). doi:<a href="https://doi.org/10.1038/s41467-017-01683-1">10.1038/s41467-017-01683-1</a>
  apa: Chait, R. P., Ruess, J., Bergmiller, T., Tkačik, G., &#38; Guet, C. C. (2017).
    Shaping bacterial population behavior through computer interfaced control of individual
    cells. <i>Nature Communications</i>. Nature Publishing Group. <a href="https://doi.org/10.1038/s41467-017-01683-1">https://doi.org/10.1038/s41467-017-01683-1</a>
  chicago: Chait, Remy P, Jakob Ruess, Tobias Bergmiller, Gašper Tkačik, and Calin
    C Guet. “Shaping Bacterial Population Behavior through Computer Interfaced Control
    of Individual Cells.” <i>Nature Communications</i>. Nature Publishing Group, 2017.
    <a href="https://doi.org/10.1038/s41467-017-01683-1">https://doi.org/10.1038/s41467-017-01683-1</a>.
  ieee: R. P. Chait, J. Ruess, T. Bergmiller, G. Tkačik, and C. C. Guet, “Shaping
    bacterial population behavior through computer interfaced control of individual
    cells,” <i>Nature Communications</i>, vol. 8, no. 1. Nature Publishing Group,
    2017.
  ista: Chait RP, Ruess J, Bergmiller T, Tkačik G, Guet CC. 2017. Shaping bacterial
    population behavior through computer interfaced control of individual cells. Nature
    Communications. 8(1), 1535.
  mla: Chait, Remy P., et al. “Shaping Bacterial Population Behavior through Computer
    Interfaced Control of Individual Cells.” <i>Nature Communications</i>, vol. 8,
    no. 1, 1535, Nature Publishing Group, 2017, doi:<a href="https://doi.org/10.1038/s41467-017-01683-1">10.1038/s41467-017-01683-1</a>.
  short: R.P. Chait, J. Ruess, T. Bergmiller, G. Tkačik, C.C. Guet, Nature Communications
    8 (2017).
date_created: 2018-12-11T11:47:30Z
date_published: 2017-12-01T00:00:00Z
date_updated: 2021-01-12T08:06:15Z
day: '01'
ddc:
- '576'
- '579'
department:
- _id: CaGu
- _id: GaTk
doi: 10.1038/s41467-017-01683-1
ec_funded: 1
file:
- access_level: open_access
  checksum: 44bb5d0229926c23a9955d9fe0f9723f
  content_type: application/pdf
  creator: system
  date_created: 2018-12-12T10:16:05Z
  date_updated: 2020-07-14T12:47:20Z
  file_id: '5190'
  file_name: IST-2017-911-v1+1_s41467-017-01683-1.pdf
  file_size: 1951699
  relation: main_file
file_date_updated: 2020-07-14T12:47:20Z
has_accepted_license: '1'
intvolume: '         8'
issue: '1'
language:
- iso: eng
month: '12'
oa: 1
oa_version: Published Version
project:
- _id: 25681D80-B435-11E9-9278-68D0E5697425
  call_identifier: FP7
  grant_number: '291734'
  name: International IST Postdoc Fellowship Programme
- _id: 254E9036-B435-11E9-9278-68D0E5697425
  call_identifier: FWF
  grant_number: P28844-B27
  name: Biophysics of information processing in gene regulation
publication: Nature Communications
publication_identifier:
  issn:
  - '20411723'
publication_status: published
publisher: Nature Publishing Group
publist_id: '7191'
pubrep_id: '911'
quality_controlled: '1'
scopus_import: 1
status: public
title: Shaping bacterial population behavior through computer interfaced control of
  individual cells
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: journal_article
user_id: 3E5EF7F0-F248-11E8-B48F-1D18A9856A87
volume: 8
year: '2017'
...
---
_id: '1148'
abstract:
- lang: eng
  text: Continuous-time Markov chain (CTMC) models have become a central tool for
    understanding the dynamics of complex reaction networks and the importance of
    stochasticity in the underlying biochemical processes. When such models are employed
    to answer questions in applications, in order to ensure that the model provides
    a sufficiently accurate representation of the real system, it is of vital importance
    that the model parameters are inferred from real measured data. This, however,
    is often a formidable task and all of the existing methods fail in one case or
    the other, usually because the underlying CTMC model is high-dimensional and computationally
    difficult to analyze. The parameter inference methods that tend to scale best
    in the dimension of the CTMC are based on so-called moment closure approximations.
    However, there exists a large number of different moment closure approximations
    and it is typically hard to say a priori which of the approximations is the most
    suitable for the inference procedure. Here, we propose a moment-based parameter
    inference method that automatically chooses the most appropriate moment closure
    method. Accordingly, contrary to existing methods, the user is not required to
    be experienced in moment closure techniques. In addition to that, our method adaptively
    changes the approximation during the parameter inference to ensure that always
    the best approximation is used, even in cases where different approximations are
    best in different regions of the parameter space. © 2016 Elsevier Ireland Ltd
acknowledgement: This work is based on the CMSB 2015 paper “Adaptive moment closure
  for parameter inference of biochemical reaction networks” (Bogomolov et al., 2015).
  The work was partly supported by the German Research Foundation (DFG) as part of
  the Transregional Collaborative Research Center “Automatic Verification and Analysis
  of Complex Systems” (SFB/TR 14 AVACS1), by the European Research Council (ERC) under
  grant 267989 (QUAREM) and by the Austrian Science Fund (FWF) under grants S11402-N23
  (RiSE) and Z211-N23 (Wittgenstein Award). J.R. acknowledges support from the People
  Programme (Marie Curie Actions) of the European Union's Seventh Framework Programme
  (FP7/2007-2013) under REA grant agreement no. 291734.
author:
- first_name: Christian
  full_name: Schilling, Christian
  last_name: Schilling
- first_name: Sergiy
  full_name: Bogomolov, Sergiy
  id: 369D9A44-F248-11E8-B48F-1D18A9856A87
  last_name: Bogomolov
  orcid: 0000-0002-0686-0365
- first_name: Thomas A
  full_name: Henzinger, Thomas A
  id: 40876CD8-F248-11E8-B48F-1D18A9856A87
  last_name: Henzinger
  orcid: 0000−0002−2985−7724
- first_name: Andreas
  full_name: Podelski, Andreas
  last_name: Podelski
- first_name: Jakob
  full_name: Ruess, Jakob
  id: 4A245D00-F248-11E8-B48F-1D18A9856A87
  last_name: Ruess
  orcid: 0000-0003-1615-3282
citation:
  ama: Schilling C, Bogomolov S, Henzinger TA, Podelski A, Ruess J. Adaptive moment
    closure for parameter inference of biochemical reaction networks. <i>Biosystems</i>.
    2016;149:15-25. doi:<a href="https://doi.org/10.1016/j.biosystems.2016.07.005">10.1016/j.biosystems.2016.07.005</a>
  apa: Schilling, C., Bogomolov, S., Henzinger, T. A., Podelski, A., &#38; Ruess,
    J. (2016). Adaptive moment closure for parameter inference of biochemical reaction
    networks. <i>Biosystems</i>. Elsevier. <a href="https://doi.org/10.1016/j.biosystems.2016.07.005">https://doi.org/10.1016/j.biosystems.2016.07.005</a>
  chicago: Schilling, Christian, Sergiy Bogomolov, Thomas A Henzinger, Andreas Podelski,
    and Jakob Ruess. “Adaptive Moment Closure for Parameter Inference of Biochemical
    Reaction Networks.” <i>Biosystems</i>. Elsevier, 2016. <a href="https://doi.org/10.1016/j.biosystems.2016.07.005">https://doi.org/10.1016/j.biosystems.2016.07.005</a>.
  ieee: C. Schilling, S. Bogomolov, T. A. Henzinger, A. Podelski, and J. Ruess, “Adaptive
    moment closure for parameter inference of biochemical reaction networks,” <i>Biosystems</i>,
    vol. 149. Elsevier, pp. 15–25, 2016.
  ista: Schilling C, Bogomolov S, Henzinger TA, Podelski A, Ruess J. 2016. Adaptive
    moment closure for parameter inference of biochemical reaction networks. Biosystems.
    149, 15–25.
  mla: Schilling, Christian, et al. “Adaptive Moment Closure for Parameter Inference
    of Biochemical Reaction Networks.” <i>Biosystems</i>, vol. 149, Elsevier, 2016,
    pp. 15–25, doi:<a href="https://doi.org/10.1016/j.biosystems.2016.07.005">10.1016/j.biosystems.2016.07.005</a>.
  short: C. Schilling, S. Bogomolov, T.A. Henzinger, A. Podelski, J. Ruess, Biosystems
    149 (2016) 15–25.
date_created: 2018-12-11T11:50:24Z
date_published: 2016-11-01T00:00:00Z
date_updated: 2023-02-23T10:08:46Z
day: '01'
department:
- _id: ToHe
- _id: GaTk
doi: 10.1016/j.biosystems.2016.07.005
ec_funded: 1
intvolume: '       149'
language:
- iso: eng
month: '11'
oa_version: None
page: 15 - 25
project:
- _id: 25EE3708-B435-11E9-9278-68D0E5697425
  call_identifier: FP7
  grant_number: '267989'
  name: Quantitative Reactive Modeling
- _id: 25832EC2-B435-11E9-9278-68D0E5697425
  call_identifier: FWF
  grant_number: S 11407_N23
  name: Rigorous Systems Engineering
- _id: 25F42A32-B435-11E9-9278-68D0E5697425
  call_identifier: FWF
  grant_number: Z211
  name: The Wittgenstein Prize
- _id: 25681D80-B435-11E9-9278-68D0E5697425
  call_identifier: FP7
  grant_number: '291734'
  name: International IST Postdoc Fellowship Programme
publication: Biosystems
publication_status: published
publisher: Elsevier
publist_id: '6210'
quality_controlled: '1'
related_material:
  record:
  - id: '1658'
    relation: earlier_version
    status: public
scopus_import: 1
status: public
title: Adaptive moment closure for parameter inference of biochemical reaction networks
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 149
year: '2016'
...
---
_id: '10794'
abstract:
- lang: eng
  text: Mathematical models are of fundamental importance in the understanding of
    complex population dynamics. For instance, they can be used to predict the population
    evolution starting from different initial conditions or to test how a system responds
    to external perturbations. For this analysis to be meaningful in real applications,
    however, it is of paramount importance to choose an appropriate model structure
    and to infer the model parameters from measured data. While many parameter inference
    methods are available for models based on deterministic ordinary differential
    equations, the same does not hold for more detailed individual-based models. Here
    we consider, in particular, stochastic models in which the time evolution of the
    species abundances is described by a continuous-time Markov chain. These models
    are governed by a master equation that is typically difficult to solve. Consequently,
    traditional inference methods that rely on iterative evaluation of parameter likelihoods
    are computationally intractable. The aim of this paper is to present recent advances
    in parameter inference for continuous-time Markov chain models, based on a moment
    closure approximation of the parameter likelihood, and to investigate how these
    results can help in understanding, and ultimately controlling, complex systems
    in ecology. Specifically, we illustrate through an agricultural pest case study
    how parameters of a stochastic individual-based model can be identified from measured
    data and how the resulting model can be used to solve an optimal control problem
    in a stochastic setting. In particular, we show how the matter of determining
    the optimal combination of two different pest control methods can be formulated
    as a chance constrained optimization problem where the control action is modeled
    as a state reset, leading to a hybrid system formulation.
acknowledgement: "The authors would like to acknowledge contributions from Baptiste
  Mottet who performed preliminary analysis regarding parameter inference for the
  considered case study in a student project (Mottet, 2014/2015).\r\nThe research
  leading to these results has received funding from the People Programme (Marie Curie
  Actions) of the European Union's Seventh Framework Programme (FP7/2007-2013) under
  REA grant agreement No. [291734] and from SystemsX under the project SignalX."
article_number: '42'
article_processing_charge: No
article_type: original
author:
- first_name: Francesca
  full_name: Parise, Francesca
  last_name: Parise
- first_name: John
  full_name: Lygeros, John
  last_name: Lygeros
- first_name: Jakob
  full_name: Ruess, Jakob
  id: 4A245D00-F248-11E8-B48F-1D18A9856A87
  last_name: Ruess
  orcid: 0000-0003-1615-3282
citation:
  ama: 'Parise F, Lygeros J, Ruess J. Bayesian inference for stochastic individual-based
    models of ecological systems: a pest control simulation study. <i>Frontiers in
    Environmental Science</i>. 2015;3. doi:<a href="https://doi.org/10.3389/fenvs.2015.00042">10.3389/fenvs.2015.00042</a>'
  apa: 'Parise, F., Lygeros, J., &#38; Ruess, J. (2015). Bayesian inference for stochastic
    individual-based models of ecological systems: a pest control simulation study.
    <i>Frontiers in Environmental Science</i>. Frontiers. <a href="https://doi.org/10.3389/fenvs.2015.00042">https://doi.org/10.3389/fenvs.2015.00042</a>'
  chicago: 'Parise, Francesca, John Lygeros, and Jakob Ruess. “Bayesian Inference
    for Stochastic Individual-Based Models of Ecological Systems: A Pest Control Simulation
    Study.” <i>Frontiers in Environmental Science</i>. Frontiers, 2015. <a href="https://doi.org/10.3389/fenvs.2015.00042">https://doi.org/10.3389/fenvs.2015.00042</a>.'
  ieee: 'F. Parise, J. Lygeros, and J. Ruess, “Bayesian inference for stochastic individual-based
    models of ecological systems: a pest control simulation study,” <i>Frontiers in
    Environmental Science</i>, vol. 3. Frontiers, 2015.'
  ista: 'Parise F, Lygeros J, Ruess J. 2015. Bayesian inference for stochastic individual-based
    models of ecological systems: a pest control simulation study. Frontiers in Environmental
    Science. 3, 42.'
  mla: 'Parise, Francesca, et al. “Bayesian Inference for Stochastic Individual-Based
    Models of Ecological Systems: A Pest Control Simulation Study.” <i>Frontiers in
    Environmental Science</i>, vol. 3, 42, Frontiers, 2015, doi:<a href="https://doi.org/10.3389/fenvs.2015.00042">10.3389/fenvs.2015.00042</a>.'
  short: F. Parise, J. Lygeros, J. Ruess, Frontiers in Environmental Science 3 (2015).
date_created: 2022-02-25T11:42:25Z
date_published: 2015-06-10T00:00:00Z
date_updated: 2022-02-25T11:59:23Z
day: '10'
ddc:
- '000'
- '570'
department:
- _id: ToHe
- _id: GaTk
doi: 10.3389/fenvs.2015.00042
ec_funded: 1
file:
- access_level: open_access
  checksum: 26c222487564e1be02a11d688d6f769d
  content_type: application/pdf
  creator: dernst
  date_created: 2022-02-25T11:55:26Z
  date_updated: 2022-02-25T11:55:26Z
  file_id: '10795'
  file_name: 2015_FrontiersEnvironmScience_Parise.pdf
  file_size: 1371201
  relation: main_file
  success: 1
file_date_updated: 2022-02-25T11:55:26Z
has_accepted_license: '1'
intvolume: '         3'
keyword:
- General Environmental Science
language:
- iso: eng
month: '06'
oa: 1
oa_version: Published Version
project:
- _id: 25681D80-B435-11E9-9278-68D0E5697425
  call_identifier: FP7
  grant_number: '291734'
  name: International IST Postdoc Fellowship Programme
publication: Frontiers in Environmental Science
publication_identifier:
  issn:
  - 2296-665X
publication_status: published
publisher: Frontiers
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'Bayesian inference for stochastic individual-based models of ecological systems:
  a pest control simulation study'
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 3
year: '2015'
...
---
_id: '1658'
abstract:
- lang: eng
  text: Continuous-time Markov chain (CTMC) models have become a central tool for
    understanding the dynamics of complex reaction networks and the importance of
    stochasticity in the underlying biochemical processes. When such models are employed
    to answer questions in applications, in order to ensure that the model provides
    a sufficiently accurate representation of the real system, it is of vital importance
    that the model parameters are inferred from real measured data. This, however,
    is often a formidable task and all of the existing methods fail in one case or
    the other, usually because the underlying CTMC model is high-dimensional and computationally
    difficult to analyze. The parameter inference methods that tend to scale best
    in the dimension of the CTMC are based on so-called moment closure approximations.
    However, there exists a large number of different moment closure approximations
    and it is typically hard to say a priori which of the approximations is the most
    suitable for the inference procedure. Here, we propose a moment-based parameter
    inference method that automatically chooses the most appropriate moment closure
    method. Accordingly, contrary to existing methods, the user is not required to
    be experienced in moment closure techniques. In addition to that, our method adaptively
    changes the approximation during the parameter inference to ensure that always
    the best approximation is used, even in cases where different approximations are
    best in different regions of the parameter space.
alternative_title:
- LNCS
author:
- first_name: Sergiy
  full_name: Bogomolov, Sergiy
  id: 369D9A44-F248-11E8-B48F-1D18A9856A87
  last_name: Bogomolov
  orcid: 0000-0002-0686-0365
- first_name: Thomas A
  full_name: Henzinger, Thomas A
  id: 40876CD8-F248-11E8-B48F-1D18A9856A87
  last_name: Henzinger
  orcid: 0000−0002−2985−7724
- first_name: Andreas
  full_name: Podelski, Andreas
  last_name: Podelski
- first_name: Jakob
  full_name: Ruess, Jakob
  id: 4A245D00-F248-11E8-B48F-1D18A9856A87
  last_name: Ruess
  orcid: 0000-0003-1615-3282
- first_name: Christian
  full_name: Schilling, Christian
  last_name: Schilling
citation:
  ama: Bogomolov S, Henzinger TA, Podelski A, Ruess J, Schilling C. Adaptive moment
    closure for parameter inference of biochemical reaction networks. 2015;9308:77-89.
    doi:<a href="https://doi.org/10.1007/978-3-319-23401-4_8">10.1007/978-3-319-23401-4_8</a>
  apa: 'Bogomolov, S., Henzinger, T. A., Podelski, A., Ruess, J., &#38; Schilling,
    C. (2015). Adaptive moment closure for parameter inference of biochemical reaction
    networks. Presented at the CMSB: Computational Methods in Systems Biology, Nantes,
    France: Springer. <a href="https://doi.org/10.1007/978-3-319-23401-4_8">https://doi.org/10.1007/978-3-319-23401-4_8</a>'
  chicago: Bogomolov, Sergiy, Thomas A Henzinger, Andreas Podelski, Jakob Ruess, and
    Christian Schilling. “Adaptive Moment Closure for Parameter Inference of Biochemical
    Reaction Networks.” Lecture Notes in Computer Science. Springer, 2015. <a href="https://doi.org/10.1007/978-3-319-23401-4_8">https://doi.org/10.1007/978-3-319-23401-4_8</a>.
  ieee: S. Bogomolov, T. A. Henzinger, A. Podelski, J. Ruess, and C. Schilling, “Adaptive
    moment closure for parameter inference of biochemical reaction networks,” vol.
    9308. Springer, pp. 77–89, 2015.
  ista: Bogomolov S, Henzinger TA, Podelski A, Ruess J, Schilling C. 2015. Adaptive
    moment closure for parameter inference of biochemical reaction networks. 9308,
    77–89.
  mla: Bogomolov, Sergiy, et al. <i>Adaptive Moment Closure for Parameter Inference
    of Biochemical Reaction Networks</i>. Vol. 9308, Springer, 2015, pp. 77–89, doi:<a
    href="https://doi.org/10.1007/978-3-319-23401-4_8">10.1007/978-3-319-23401-4_8</a>.
  short: S. Bogomolov, T.A. Henzinger, A. Podelski, J. Ruess, C. Schilling, 9308 (2015)
    77–89.
conference:
  end_date: 2015-09-18
  location: Nantes, France
  name: 'CMSB: Computational Methods in Systems Biology'
  start_date: 2015-09-16
date_created: 2018-12-11T11:53:18Z
date_published: 2015-09-01T00:00:00Z
date_updated: 2023-02-21T16:17:24Z
day: '01'
department:
- _id: ToHe
- _id: GaTk
doi: 10.1007/978-3-319-23401-4_8
ec_funded: 1
intvolume: '      9308'
language:
- iso: eng
month: '09'
oa_version: None
page: 77 - 89
project:
- _id: 25EE3708-B435-11E9-9278-68D0E5697425
  call_identifier: FP7
  grant_number: '267989'
  name: Quantitative Reactive Modeling
- _id: 25F42A32-B435-11E9-9278-68D0E5697425
  call_identifier: FWF
  grant_number: Z211
  name: The Wittgenstein Prize
- _id: 25832EC2-B435-11E9-9278-68D0E5697425
  call_identifier: FWF
  grant_number: S 11407_N23
  name: Rigorous Systems Engineering
- _id: 25681D80-B435-11E9-9278-68D0E5697425
  call_identifier: FP7
  grant_number: '291734'
  name: International IST Postdoc Fellowship Programme
publication_status: published
publisher: Springer
publist_id: '5492'
quality_controlled: '1'
related_material:
  record:
  - id: '1148'
    relation: later_version
    status: public
scopus_import: 1
series_title: Lecture Notes in Computer Science
status: public
title: Adaptive moment closure for parameter inference of biochemical reaction networks
type: conference
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 9308
year: '2015'
...
---
_id: '1861'
abstract:
- lang: eng
  text: Continuous-time Markov chains are commonly used in practice for modeling biochemical
    reaction networks in which the inherent randomness of themolecular interactions
    cannot be ignored. This has motivated recent research effort into methods for
    parameter inference and experiment design for such models. The major difficulty
    is that such methods usually require one to iteratively solve the chemical master
    equation that governs the time evolution of the probability distribution of the
    system. This, however, is rarely possible, and even approximation techniques remain
    limited to relatively small and simple systems. An alternative explored in this
    article is to base methods on only some low-order moments of the entire probability
    distribution. We summarize the theory behind such moment-based methods for parameter
    inference and experiment design and provide new case studies where we investigate
    their performance.
acknowledgement: "HYCON2; EC; European Commission\r\n"
article_number: '8'
author:
- first_name: Jakob
  full_name: Ruess, Jakob
  id: 4A245D00-F248-11E8-B48F-1D18A9856A87
  last_name: Ruess
  orcid: 0000-0003-1615-3282
- first_name: John
  full_name: Lygeros, John
  last_name: Lygeros
citation:
  ama: Ruess J, Lygeros J. Moment-based methods for parameter inference and experiment
    design for stochastic biochemical reaction networks. <i>ACM Transactions on Modeling
    and Computer Simulation</i>. 2015;25(2). doi:<a href="https://doi.org/10.1145/2688906">10.1145/2688906</a>
  apa: Ruess, J., &#38; Lygeros, J. (2015). Moment-based methods for parameter inference
    and experiment design for stochastic biochemical reaction networks. <i>ACM Transactions
    on Modeling and Computer Simulation</i>. ACM. <a href="https://doi.org/10.1145/2688906">https://doi.org/10.1145/2688906</a>
  chicago: Ruess, Jakob, and John Lygeros. “Moment-Based Methods for Parameter Inference
    and Experiment Design for Stochastic Biochemical Reaction Networks.” <i>ACM Transactions
    on Modeling and Computer Simulation</i>. ACM, 2015. <a href="https://doi.org/10.1145/2688906">https://doi.org/10.1145/2688906</a>.
  ieee: J. Ruess and J. Lygeros, “Moment-based methods for parameter inference and
    experiment design for stochastic biochemical reaction networks,” <i>ACM Transactions
    on Modeling and Computer Simulation</i>, vol. 25, no. 2. ACM, 2015.
  ista: Ruess J, Lygeros J. 2015. Moment-based methods for parameter inference and
    experiment design for stochastic biochemical reaction networks. ACM Transactions
    on Modeling and Computer Simulation. 25(2), 8.
  mla: Ruess, Jakob, and John Lygeros. “Moment-Based Methods for Parameter Inference
    and Experiment Design for Stochastic Biochemical Reaction Networks.” <i>ACM Transactions
    on Modeling and Computer Simulation</i>, vol. 25, no. 2, 8, ACM, 2015, doi:<a
    href="https://doi.org/10.1145/2688906">10.1145/2688906</a>.
  short: J. Ruess, J. Lygeros, ACM Transactions on Modeling and Computer Simulation
    25 (2015).
date_created: 2018-12-11T11:54:25Z
date_published: 2015-02-01T00:00:00Z
date_updated: 2021-01-12T06:53:41Z
day: '01'
department:
- _id: ToHe
- _id: GaTk
doi: 10.1145/2688906
intvolume: '        25'
issue: '2'
language:
- iso: eng
month: '02'
oa_version: None
publication: ACM Transactions on Modeling and Computer Simulation
publication_status: published
publisher: ACM
publist_id: '5238'
quality_controlled: '1'
scopus_import: 1
status: public
title: Moment-based methods for parameter inference and experiment design for stochastic
  biochemical reaction networks
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 25
year: '2015'
...
---
_id: '1538'
abstract:
- lang: eng
  text: Systems biology rests on the idea that biological complexity can be better
    unraveled through the interplay of modeling and experimentation. However, the
    success of this approach depends critically on the informativeness of the chosen
    experiments, which is usually unknown a priori. Here, we propose a systematic
    scheme based on iterations of optimal experiment design, flow cytometry experiments,
    and Bayesian parameter inference to guide the discovery process in the case of
    stochastic biochemical reaction networks. To illustrate the benefit of our methodology,
    we apply it to the characterization of an engineered light-inducible gene expression
    circuit in yeast and compare the performance of the resulting model with models
    identified from nonoptimal experiments. In particular, we compare the parameter
    posterior distributions and the precision to which the outcome of future experiments
    can be predicted. Moreover, we illustrate how the identified stochastic model
    can be used to determine light induction patterns that make either the average
    amount of protein or the variability in a population of cells follow a desired
    profile. Our results show that optimal experiment design allows one to derive
    models that are accurate enough to precisely predict and regulate the protein
    expression in heterogeneous cell populations over extended periods of time.
acknowledgement: 'J.R., F.P., and J.L. acknowledge support from the European Commission
  under the Network of Excellence HYCON2 (highly-complex and networked control systems)
  and SystemsX.ch under the SignalX Project. J.R. acknowledges support from the People
  Programme (Marie Curie Actions) of the European Union’s Seventh Framework Programme
  FP7/2007-2013 under REA (Research Executive Agency) Grant 291734. M.K. acknowledges
  support from Human Frontier Science Program Grant RP0061/2011 (www.hfsp.org). '
author:
- first_name: Jakob
  full_name: Ruess, Jakob
  id: 4A245D00-F248-11E8-B48F-1D18A9856A87
  last_name: Ruess
  orcid: 0000-0003-1615-3282
- first_name: Francesca
  full_name: Parise, Francesca
  last_name: Parise
- first_name: Andreas
  full_name: Milias Argeitis, Andreas
  last_name: Milias Argeitis
- first_name: Mustafa
  full_name: Khammash, Mustafa
  last_name: Khammash
- first_name: John
  full_name: Lygeros, John
  last_name: Lygeros
citation:
  ama: Ruess J, Parise F, Milias Argeitis A, Khammash M, Lygeros J. Iterative experiment
    design guides the characterization of a light-inducible gene expression circuit.
    <i>PNAS</i>. 2015;112(26):8148-8153. doi:<a href="https://doi.org/10.1073/pnas.1423947112">10.1073/pnas.1423947112</a>
  apa: Ruess, J., Parise, F., Milias Argeitis, A., Khammash, M., &#38; Lygeros, J.
    (2015). Iterative experiment design guides the characterization of a light-inducible
    gene expression circuit. <i>PNAS</i>. National Academy of Sciences. <a href="https://doi.org/10.1073/pnas.1423947112">https://doi.org/10.1073/pnas.1423947112</a>
  chicago: Ruess, Jakob, Francesca Parise, Andreas Milias Argeitis, Mustafa Khammash,
    and John Lygeros. “Iterative Experiment Design Guides the Characterization of
    a Light-Inducible Gene Expression Circuit.” <i>PNAS</i>. National Academy of Sciences,
    2015. <a href="https://doi.org/10.1073/pnas.1423947112">https://doi.org/10.1073/pnas.1423947112</a>.
  ieee: J. Ruess, F. Parise, A. Milias Argeitis, M. Khammash, and J. Lygeros, “Iterative
    experiment design guides the characterization of a light-inducible gene expression
    circuit,” <i>PNAS</i>, vol. 112, no. 26. National Academy of Sciences, pp. 8148–8153,
    2015.
  ista: Ruess J, Parise F, Milias Argeitis A, Khammash M, Lygeros J. 2015. Iterative
    experiment design guides the characterization of a light-inducible gene expression
    circuit. PNAS. 112(26), 8148–8153.
  mla: Ruess, Jakob, et al. “Iterative Experiment Design Guides the Characterization
    of a Light-Inducible Gene Expression Circuit.” <i>PNAS</i>, vol. 112, no. 26,
    National Academy of Sciences, 2015, pp. 8148–53, doi:<a href="https://doi.org/10.1073/pnas.1423947112">10.1073/pnas.1423947112</a>.
  short: J. Ruess, F. Parise, A. Milias Argeitis, M. Khammash, J. Lygeros, PNAS 112
    (2015) 8148–8153.
date_created: 2018-12-11T11:52:36Z
date_published: 2015-06-30T00:00:00Z
date_updated: 2021-01-12T06:51:27Z
day: '30'
department:
- _id: ToHe
- _id: GaTk
doi: 10.1073/pnas.1423947112
ec_funded: 1
external_id:
  pmid:
  - '26085136'
intvolume: '       112'
issue: '26'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4491780/
month: '06'
oa: 1
oa_version: Submitted Version
page: 8148 - 8153
pmid: 1
project:
- _id: 25681D80-B435-11E9-9278-68D0E5697425
  call_identifier: FP7
  grant_number: '291734'
  name: International IST Postdoc Fellowship Programme
publication: PNAS
publication_status: published
publisher: National Academy of Sciences
publist_id: '5633'
quality_controlled: '1'
scopus_import: 1
status: public
title: Iterative experiment design guides the characterization of a light-inducible
  gene expression circuit
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 112
year: '2015'
...
---
_id: '1539'
abstract:
- lang: eng
  text: 'Many stochastic models of biochemical reaction networks contain some chemical
    species for which the number of molecules that are present in the system can only
    be finite (for instance due to conservation laws), but also other species that
    can be present in arbitrarily large amounts. The prime example of such networks
    are models of gene expression, which typically contain a small and finite number
    of possible states for the promoter but an infinite number of possible states
    for the amount of mRNA and protein. One of the main approaches to analyze such
    models is through the use of equations for the time evolution of moments of the
    chemical species. Recently, a new approach based on conditional moments of the
    species with infinite state space given all the different possible states of the
    finite species has been proposed. It was argued that this approach allows one
    to capture more details about the full underlying probability distribution with
    a smaller number of equations. Here, I show that the result that less moments
    provide more information can only stem from an unnecessarily complicated description
    of the system in the classical formulation. The foundation of this argument will
    be the derivation of moment equations that describe the complete probability distribution
    over the finite state space but only low-order moments over the infinite state
    space. I will show that the number of equations that is needed is always less
    than what was previously claimed and always less than the number of conditional
    moment equations up to the same order. To support these arguments, a symbolic
    algorithm is provided that can be used to derive minimal systems of unconditional
    moment equations for models with partially finite state space. '
article_number: '244103'
author:
- first_name: Jakob
  full_name: Ruess, Jakob
  id: 4A245D00-F248-11E8-B48F-1D18A9856A87
  last_name: Ruess
  orcid: 0000-0003-1615-3282
citation:
  ama: Ruess J. Minimal moment equations for stochastic models of biochemical reaction
    networks with partially finite state space. <i>Journal of Chemical Physics</i>.
    2015;143(24). doi:<a href="https://doi.org/10.1063/1.4937937">10.1063/1.4937937</a>
  apa: Ruess, J. (2015). Minimal moment equations for stochastic models of biochemical
    reaction networks with partially finite state space. <i>Journal of Chemical Physics</i>.
    American Institute of Physics. <a href="https://doi.org/10.1063/1.4937937">https://doi.org/10.1063/1.4937937</a>
  chicago: Ruess, Jakob. “Minimal Moment Equations for Stochastic Models of Biochemical
    Reaction Networks with Partially Finite State Space.” <i>Journal of Chemical Physics</i>.
    American Institute of Physics, 2015. <a href="https://doi.org/10.1063/1.4937937">https://doi.org/10.1063/1.4937937</a>.
  ieee: J. Ruess, “Minimal moment equations for stochastic models of biochemical reaction
    networks with partially finite state space,” <i>Journal of Chemical Physics</i>,
    vol. 143, no. 24. American Institute of Physics, 2015.
  ista: Ruess J. 2015. Minimal moment equations for stochastic models of biochemical
    reaction networks with partially finite state space. Journal of Chemical Physics.
    143(24), 244103.
  mla: Ruess, Jakob. “Minimal Moment Equations for Stochastic Models of Biochemical
    Reaction Networks with Partially Finite State Space.” <i>Journal of Chemical Physics</i>,
    vol. 143, no. 24, 244103, American Institute of Physics, 2015, doi:<a href="https://doi.org/10.1063/1.4937937">10.1063/1.4937937</a>.
  short: J. Ruess, Journal of Chemical Physics 143 (2015).
date_created: 2018-12-11T11:52:36Z
date_published: 2015-12-22T00:00:00Z
date_updated: 2021-01-12T06:51:28Z
day: '22'
ddc:
- '000'
department:
- _id: ToHe
- _id: GaTk
doi: 10.1063/1.4937937
ec_funded: 1
file:
- access_level: open_access
  checksum: 838657118ae286463a2b7737319f35ce
  content_type: application/pdf
  creator: system
  date_created: 2018-12-12T10:07:43Z
  date_updated: 2020-07-14T12:45:01Z
  file_id: '4641'
  file_name: IST-2016-593-v1+1_Minimal_moment_equations.pdf
  file_size: 605355
  relation: main_file
file_date_updated: 2020-07-14T12:45:01Z
has_accepted_license: '1'
intvolume: '       143'
issue: '24'
language:
- iso: eng
month: '12'
oa: 1
oa_version: Published Version
project:
- _id: 25EE3708-B435-11E9-9278-68D0E5697425
  call_identifier: FP7
  grant_number: '267989'
  name: Quantitative Reactive Modeling
- _id: 25832EC2-B435-11E9-9278-68D0E5697425
  call_identifier: FWF
  grant_number: S 11407_N23
  name: Rigorous Systems Engineering
- _id: 25F42A32-B435-11E9-9278-68D0E5697425
  call_identifier: FWF
  grant_number: Z211
  name: The Wittgenstein Prize
- _id: 25681D80-B435-11E9-9278-68D0E5697425
  call_identifier: FP7
  grant_number: '291734'
  name: International IST Postdoc Fellowship Programme
publication: Journal of Chemical Physics
publication_status: published
publisher: American Institute of Physics
publist_id: '5632'
pubrep_id: '593'
quality_controlled: '1'
scopus_import: 1
status: public
title: Minimal moment equations for stochastic models of biochemical reaction networks
  with partially finite state space
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 143
year: '2015'
...
