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Steady state is an essential concept in reaction networks. Its stability reflects fundamental characteristics of several biological phenomena such as cellular signal transduction and gene expression. Because biochemical reactions occur at…

Molecular Networks · Quantitative Biology 2019-04-19 Tan Van Vu , Yoshihiko Hasegawa

Hidden Markov models have successfully been applied as models of discrete time series in many fields. Often, when applied in practice, the parameters of these models have to be estimated. The currently predominating identification methods,…

Machine Learning · Statistics 2015-07-24 Robert Mattila , Cristian R. Rojas , Bo Wahlberg

This study performs parameter inference in a partial differential equations system of pulmonary circulation. We use a fluid dynamics network model that takes selected parameter values and mimics the behaviour of the pulmonary haemodynamics…

This chapter reviews how molecular dynamics simulations, experimental data, and Markov state models can synergize to map-out the mechanism of protein-protein association and dissociation.

Biological Physics · Physics 2021-05-07 Simon Olsson

We demonstrate and characterize a first-principles approach to modeling the mass action dynamics of metabolism. Starting from a basic definition of entropy expressed as a multinomial probability density using Boltzmann probabilities with…

Chemical Physics · Physics 2024-07-10 William R. Cannon , Samuel Britton , Mikahl Banwarth-Kuhn , Mark Alber

We introduce a new method to accurately and efficiently estimate the effective dynamics of collective variables in molecular simulations. Such reduced dynamics play an essential role in the study of a broad class of processes, ranging from…

Statistical Mechanics · Physics 2022-03-28 Hadrien Vroylandt , Ludovic Goudenège , Pierre Monmarché , Fabio Pietrucci , Benjamin Rotenberg

Network models are widely used as structural summaries of biochemical systems. Statistical estimation of networks is usually based on linear or discrete models. However, the dynamics of these systems are generally nonlinear, suggesting that…

Applications · Statistics 2014-06-03 C. J. Oates , F. Dondelinger , N. Bayani , J. Korola , J. W. Gray , S. Mukherjee

We propose sequential Monte Carlo based algorithms for maximum likelihood estimation of the static parameters in hidden Markov models with an intractable likelihood using ideas from approximate Bayesian computation. The static parameter…

Computation · Statistics 2013-11-19 Sinan Yildirim , Sumeetpal Singh , Thomas Dean , Ajay Jasra

In this paper we consider the problem of parameter inference for Markov jump process (MJP) representations of stochastic kinetic models. Since transition probabilities are intractable for most processes of interest yet forward simulation is…

Computation · Statistics 2014-09-16 Andrew Golightly , Darren J. Wilkinson

We present a novel and simple method to numerically calculate Fisher Information Matrices for stochastic chemical kinetics models. The linear noise approximation is used to derive model equations and a likelihood function which leads to an…

Applications · Statistics 2015-05-27 Michal Komorowski , Maria J. Costa , David A. Rand , Michael Stumpf

For Markov processes evolving on multiple time-scales a combination of large component scalings and averaging of rapid fluctuations can lead to useful limits for model approximation. A general approach to proving a law of large numbers to a…

Probability · Mathematics 2020-12-29 Lea Popovic

Parametric Markov chains occur quite naturally in various applications: they can be used for a conservative analysis of probabilistic systems (no matter how the parameter is chosen, the system works to specification); they can be used to…

Logic in Computer Science · Computer Science 2018-11-05 Paul Gainer , Ernst Moritz Hahn , Sven Schewe

Reaction rate equations are ordinary differential equations that are frequently used to describe deterministic chemical kinetics at the macroscopic scale. At the microscopic scale, the chemical kinetics is stochastic and can be captured by…

Soft Condensed Matter · Physics 2021-05-12 Ariana Torres-Knoop , Ivan Kryven

Mathematical modelling has become an established tool for studying the dynamics of biological systems. Current applications range from building models that reproduce quantitative data to identifying systems with predefined qualitative…

Molecular Networks · Quantitative Biology 2018-02-07 Carsten Conradi , Elisenda Feliu , Maya Mincheva , Carsten Wiuf

Reversibility is a key concept in Markov models and Master-equation models of molecular kinetics. The analysis and interpretation of the transition matrix encoding the kinetic properties of the model relies heavily on the reversibility…

Chemical Physics · Physics 2015-09-23 Benjamin Trendelkamp-Schroer , Hao Wu , Fabian Paul , Frank Noé

Consider the standard stochastic reaction network model where the dynamics is given by a continuous-time Markov chain over a discrete lattice. For such models, estimation of parameter sensitivities is an important problem, but the existing…

Quantitative Methods · Quantitative Biology 2019-05-01 Patrik Dürrenberger , Ankit Gupta , Mustafa Khammash

Many biological systems can be modeled as a chemical reaction network with unknown parameters. Data available to identify these parameters are often in the form of a stationary distribution, such as that obtained from measurements of a cell…

Systems and Control · Electrical Eng. & Systems 2023-09-14 Theodore W. Grunberg , Domitilla Del Vecchio

This study explores a Gaussian quasi-likelihood approach for estimating parameters of diffusion processes with Markovian regime switching. Assuming the ergodicity under high-frequency sampling, we will show the asymptotic normality of the…

Statistics Theory · Mathematics 2025-05-19 Yuzhong Cheng , Hiroki Masuda

Many systems in biology, physics and engineering can be described by systems of ordinary differential equation containing many parameters. When studying the dynamic behavior of these large, nonlinear systems, it is useful to identify and…

Molecular Networks · Quantitative Biology 2016-04-13 Heather A. Harrington , Dhagash Mehta , Helen M. Byrne , Jonathan D. Hauenstein

The ability to represent intracellular biochemical dynamics via deterministic and stochastic modelling is one of the crucial components to move biological sciences in the observe-predict-control-design knowledge ladder. Compared to the…

Quantitative Methods · Quantitative Biology 2013-03-14 Michał Włodarczyk , Tomasz Lipniacki , Michał Komorowski
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