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In most natural sciences there is currently the insight that it is necessary to bridge gaps between different processes which can be observed on different scales. This is especially true in the field of chemical reactions where the…

Molecular Networks · Quantitative Biology 2008-03-03 L. Sbano , M. Kirkilionis

Can a scientific simulation system be physically consistent, interpretable by design, and scalable across regimes--all at once? Despite decades of progress, this trifecta remains elusive. Classical methods like Kinetic Monte Carlo ensure…

Artificial Intelligence · Computer Science 2025-07-02 Qi Li , Kun Li , Haozhi Han , Honghui Shang , Xinfu He , Yunquan Zhang , Hong An , Ting Cao , Mao Yang

Motivation: Stochastic reaction networks are a widespread model to describe biological systems where the presence of noise is relevant, such as in cell regulatory processes. Unfortu-nately, in all but simplest models the resulting discrete…

Quantitative Methods · Quantitative Biology 2021-01-12 Luca Cardelli , Isabel Cristina Perez-Verona , Mirco Tribastone , Max Tschaikowski , Andrea Vandin , Tabea Waizmann

Stochastic fluctuations of molecule numbers are ubiquitous in biological systems. Important examples include gene expression and enzymatic processes in living cells. Such systems are typically modelled as chemical reaction networks whose…

Quantitative Methods · Quantitative Biology 2017-01-13 David Schnoerr , Guido Sanguinetti , Ramon Grima

Many biochemical and industrial applications involve complicated networks of simultaneously occurring chemical reactions. Under the assumption of mass action kinetics, the dynamics of these chemical reaction networks are governed by systems…

Dynamical Systems · Mathematics 2014-07-15 Matthew D. Johnston

Background: Nuclear reactions are complex, with a large number of possible channels. Understanding how different channels contribute to a given reaction is investigated by perturbing the continuous spectrum. Purpose: To develop tools to…

Nuclear Theory · Physics 2024-06-28 Brady J. Martin , Wayne N. Polyzou

There exist several methods for simulating biological and physical systems as represented by chemical reaction networks. Systems with low numbers of particles are frequently modelled as discrete-state Markov jump processes and are typically…

Quantitative Methods · Quantitative Biology 2022-10-24 Joshua C. Kynaston , Christian A Yates , Anna Hekkink , Chris Guiver

Within a fully microscopic setting, we derive a variational principle for the non-equilibrium steady states of chemical reaction networks, valid for time-scales over which chemical potentials can be taken to be slowly varying: at…

Molecular Networks · Quantitative Biology 2015-06-05 Andrea De Martino , Daniele De Martino , Roberto Mulet , Guido Uguzzoni

Markov chains on the non-negative quadrant of dimension $d$ are often used to model the stochastic dynamics of the number of $d$ entities, such as $d$ chemical species in stochastic reaction networks. The infinite state space poses…

Probability · Mathematics 2024-10-17 Wai-Tong Louis Fan , Jinsu Kim , Chaojie Yuan

Stochastic reaction network models arise in intracellular chemical reactions, epidemiological models and other population process models, and are a class of continuous time Markov chains which have the nonnegative integer lattice as state…

Numerical Analysis · Mathematics 2024-07-26 Muruhan Rathinam , Mingkai Yu

We discuss a method to describe the qualitative dynamics of chemical reaction networks in terms of symbolic dynamics. The method, that can be applied to mass-action reaction networks with separated timescales, uses solutions of the partial…

Molecular Networks · Quantitative Biology 2022-05-17 Aurélien Desoeuvres , Peter Szmolyan , Ovidiu Radulescu

We introduce the notion of corresponding a chemical reaction network to a split network translation, and use this novel process to extend the scope of existing network-based theory for characterizing the steady state set of mass-action…

Dynamical Systems · Mathematics 2021-04-09 Matthew D. Johnston

The chemical master equation (CME) is frequently used in systems biology to quantify the effects of stochastic fluctuations that arise due to biomolecular species with low copy numbers. The CME is a system of ordinary differential equations…

Quantitative Methods · Quantitative Biology 2017-10-25 Ankit Gupta , Jan Mikelson , Mustafa Khammash

We study the effects of fast spatial movement of molecules on the dynamics of chemical species in a spatially heterogeneous chemical reaction network using a compartment model. The reaction networks we consider are either single- or…

Probability · Mathematics 2015-10-27 Peter Pfaffelhuber , Lea Popovic

We consider steady states of dynamics that have an underlying network structure. We study how a steady state responds to small perturbations in the network parameters and how this sensitivity is connected to the network structure. We…

Molecular Networks · Quantitative Biology 2023-03-20 Robin Chemnitz

In chemical reaction networks (CRNs) with stochastic semantics based on continuous-time Markov chains (CTMCs), the typically large populations of species cause combinatorially large state spaces. This makes the analysis very difficult in…

Logic in Computer Science · Computer Science 2017-07-10 Luca Cardelli , Mirco Tribastone , Max Tschaikowski , Andrea Vandin

The complexity of mathematical models in biology has rendered model reduction an essential tool in the quantitative biologist's toolkit. For stochastic reaction networks described using the Chemical Master Equation, commonly used methods…

Quantitative Methods · Quantitative Biology 2023-03-29 K. Öcal , G. Sanguinetti , R. Grima

For two molecules to react they first have to meet. Yet, reaction times are rarely on par with the first-passage times that govern such molecular encounters. A prime reason for this discrepancy is stochastic transitions between reactive and…

Statistical Mechanics · Physics 2021-07-21 Yuval Scher , Shlomi Reuveni

In living cells, chemical reactions form a complex network. Complicated dynamics arising from such networks are the origins of biological functions. We propose a novel mathematical method to analyze bifurcation behaviors of a reaction…

Molecular Networks · Quantitative Biology 2018-08-08 Takashi Okada , Je-Chiang Tsai , Atsushi Mochizuki

In this paper, we present criteria for non-exponential ergodicity of continuous-time Markov chains on a countable state space. These criteria can be verified by examining the ratio of transition rates over certain paths. We applied this…

Probability · Mathematics 2024-02-09 Minjoon Kim , Jinsu Kim