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Biochemical reaction networks are an amalgamation of reactions where each reaction represents the interaction of different species. Generally, these networks exhibit a multi-scale behavior caused by the high variability in reaction rates…

Quantitative Methods · Quantitative Biology 2023-04-14 Derya Altıntan , Bastian Alt , Heinz Koeppl

Fluorescent and luminescent gene reporters allow us to dynamically quantify changes in molecular species concentration over time on the single cell level. The mathematical modeling of their interaction through multivariate dynamical models…

Quantitative Methods · Quantitative Biology 2009-07-07 Michal Komorowski , Barbel Finkenstadt , Claire V. Harper , David A. Rand

The quasi-steady-state approximation (or stochastic averaging principle) is a useful tool in the study of multiscale stochastic systems, giving a practical method by which to reduce the number of degrees of freedom in a model. The method is…

Chemical Physics · Physics 2015-06-18 Maria Bruna , S. Jonathan Chapman , Matthew J. Smith

In this paper, a general framework for the analysis of a connection between the training of artificial neural networks via the dynamics of Markov chains and the approximation of conservation law equations is proposed. This framework allows…

Computational Engineering, Finance, and Science · Computer Science 2025-10-20 Roderick V. N. Melnik

The quasi-steady state approximation and time-scale separation are commonly applied methods to simplify models of biochemical reaction networks based on ordinary differential equations (ODEs). The concentrations of the "fast" species are…

Dynamical Systems · Mathematics 2016-05-10 Meritxell Sáez , Carsten Wiuf , Elisenda Feliu

Cellular signaling networks have evolved to cope with intrinsic fluctuations, coming from the small numbers of constituents, and the environmental noise. Stochastic chemical kinetics equations govern the way biochemical networks process…

Quantitative Methods · Quantitative Biology 2009-11-13 Yueheng Lan , Peter G. Wolynes , Garegin A. Papoian

We propose a novel Markov chain Monte-Carlo (MCMC) method for reverse engineering the topological structure of stochastic reaction networks, a notoriously challenging problem that is relevant in many modern areas of research, like…

Methodology · Statistics 2018-10-08 Daniel F. Linder , Grzegorz A. Rempala

Many cellular behaviors are regulated by gene regulation networks, kinetics of which is one of the main subjects in the study of systems biology. Because of the low number molecules in these reacting systems, stochastic effects are…

Quantitative Methods · Quantitative Biology 2011-04-26 Jinzhi Lei

Reaction networks are widely used models to describe biochemical processes. Stochastic fluctuations in the counts of biological macromolecules have amplified consequences due to their small population sizes. This makes it necessary to favor…

Probability · Mathematics 2022-02-28 Daniele Cappelletti , Badal Joshi

The stochastic description of chemical reaction networks with the kinetic chemical master equation (CME) is important for studying biological cells, but it suffers from the curse of dimensionality: The amount of data to be stored grows…

Numerical Analysis · Mathematics 2024-08-02 Lukas Einkemmer , Julian Mangott , Martina Prugger

The slow processes of metastable stochastic dynamical systems are difficult to access by direct numerical simulation due the sampling problem. Here, we suggest an approach for modeling the slow parts of Markov processes by approximating the…

Mathematical Physics · Physics 2012-12-03 Frank Noé , Feliks Nüske

We study a system of diffusing point particles in which any triplet of particles reacts and is removed from the system when the relative proximity of the constituent particles satisfies a predefined condition. Proximity-based reaction…

Numerical Analysis · Mathematics 2025-04-07 Taylor Kearney , Ricardo Ruiz-Baier , Mark B. Flegg

Estimation of parameter sensitivities for stochastic chemical reaction networks is an important and challenging problem. Sensitivity values are important in the analysis, modeling and design of chemical networks. They help in understanding…

Probability · Mathematics 2012-12-21 Ankit Gupta , Mustafa Khammash

Complex networks, comprised of individual elements that interact with each other through reaction channels, are ubiquitous across many scientific and engineering disciplines. Examples include biochemical, pharmacokinetic, epidemiological,…

Mathematical Physics · Physics 2013-06-14 John Goutsias , Garrett Jenkinson

Stochastic reaction-diffusion models are employed to represent many complex physical, biological, societal, and ecological systems. The macroscopic reaction rates describing the large-scale kinetics in such systems are effective,…

Biological Physics · Physics 2024-07-22 Mohamed Swailem , Uwe C. Täuber

Modeling the time evolution of discrete sets of items (e.g., genetic mutations) is a fundamental problem in many biomedical applications. We approach this problem through the lens of continuous-time Markov chains, and show that the…

Machine Learning · Computer Science 2021-07-08 Alkis Gotovos , Rebekka Burkholz , John Quackenbush , Stefanie Jegelka

A goal of systems biology is to understand the dynamics of intracellular systems. Stochastic chemical kinetic models are often utilized to accurately capture the stochastic nature of these systems due to low numbers of molecules. Collecting…

Computation · Statistics 2015-03-17 Jarad Niemi , Matthew Wheeler

Simulation of biomolecular networks is now indispensable for studying biological systems, from small reaction networks to large ensembles of cells. Here we present a novel approach for stochastic simulation of networks embedded in the…

Quantitative Methods · Quantitative Biology 2016-09-28 Margaritis Voliotis , Philipp Thomas , Ramon Grima , Clive G. Bowsher

Bisimulation metrics are powerful tools for measuring similarities between stochastic processes, and specifically Markov chains. Recent advances have uncovered that bisimulation metrics are, in fact, optimal-transport distances, which has…

Machine Learning · Computer Science 2025-05-26 Sergio Calo , Anders Jonsson , Gergely Neu , Ludovic Schwartz , Javier Segovia-Aguas

Reaction networks are systems in which the populations of a finite number of species evolve through predefined interactions. Such networks are found as modeling tools in many biological disciplines such as biochemistry, ecology,…

Molecular Networks · Quantitative Biology 2015-06-15 Ankit Gupta , Corentin Briat , Mustafa Khammash
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