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We present a numerical approximation technique for the analysis of continuous-time Markov chains that describe networks of biochemical reactions and play an important role in the stochastic modeling of biological systems. Our approach is…

Quantitative Methods · Quantitative Biology 2010-05-06 Thomas A. Henzinger , Maria Mateescu , Linar Mikeev , Verena Wolf

A reaction network is a chemical system involving multiple reactions and chemical species. Stochastic models of such networks treat the system as a continuous time Markov chain on the number of molecules of each species with reactions as…

Probability · Mathematics 2007-05-23 Karen Ball , Thomas G. Kurtz , Lea Popovic , Greg Rempala

A highly efficient formulation of moment equations for stochastic reaction networks is introduced. It is based on a set of binomial moments that capture the combinatorics of the reaction processes. The resulting set of equations can be…

Statistical Mechanics · Physics 2015-05-20 Baruch Barzel , Ofer Biham

Large scale dynamical systems (e.g. many nonlinear coupled differential equations) can often be summarized in terms of only a few state variables (a few equations), a trait that reduces complexity and facilitates exploration of behavioral…

In many astrophysical applications, the cost of solving a chemical network represented by a system of ordinary differential equations (ODEs) grows significantly with the size of the network, and can often represent a significant…

Instrumentation and Methods for Astrophysics · Physics 2022-12-21 T. Grassi , F. Nauman , J. P. Ramsey , S. Bovino , G. Picogna , B. Ercolano

Discriminating between correct and incorrect substrates is a core process in biology but how is energy apportioned between the conflicting demands of accuracy ($\mu$), speed ($\sigma$) and total entropy production rate ($P$)? Previous…

Molecular Networks · Quantitative Biology 2019-06-18 Felix Wong , Ariel Amir , Jeremy Gunawardena

Biological processes involve a variety of spatial and temporal scales. A holistic understanding of many biological processes therefore requires multi-scale models which capture the relevant properties on all these scales. In this manuscript…

Molecular Networks · Quantitative Biology 2015-06-23 Jan Hasenauer , Nick Jagiella , Sabrina Hross , Fabian J. Theis

In this paper, it is presented a methodology for implementing arbitrarily constructed time-homogenous Markov chains with biochemical systems. Not only discrete but also continuous-time Markov chains are allowed to be computed. By employing…

Molecular Networks · Quantitative Biology 2018-02-16 Chuan Zhang , Ziyuan Shen , Wei Wei , Jing Zhao , Zaichen Zhang , Xiaohu You

Multiscale and inhomogeneous molecular systems are challenging topics in the field of molecular simulation. In particular, modeling biological systems in the context of multiscale simulations and exploring material properties are driving a…

Computational Physics · Physics 2017-12-06 Horacio V. Guzman , Christoph Junghans , Kurt Kremer , Torsten Stuehn

In this survey paper, we will present a number of core algorithmic questions concerning several transitive reduction problems on network that have applications in network synthesis and analysis involving cellular processes. Our starting…

Computational Complexity · Computer Science 2013-12-30 Satabdi Aditya , Bhaskar DasGupta , Marek Karpinski

Biochemical reaction systems may be viewed as discrete event processes characterized by a number of states and state transitions. These systems may be modeled as state transition systems with transitions representing individual reaction…

Chemical Physics · Physics 2017-08-23 Scott M. Bugenhagen , Daniel A. Beard

This work presents a method for constructing online-efficient reduced models of large-scale systems governed by parametrized nonlinear scalar conservation laws. The solution manifolds induced by transport-dominated problems such as…

Numerical Analysis · Mathematics 2021-01-01 Donsub Rim , Benjamin Peherstorfer , Kyle T. Mandli

An efficient structural identifiability analysis algorithm is developed in this study for a broad range of network structures. The proposed method adopts the Wright's path coefficient method to generate identifiability equations in forms of…

Molecular Networks · Quantitative Biology 2017-08-25 Yulin Wang , Na Lu , Hongyu Miao

Studying the propagation of uncertainties in a nonlinear dynamical system usually involves generating a set of samples in the stochastic parameter space and then repeated simulations with different sampled parameters. The main difficulty…

Numerical Analysis · Mathematics 2017-09-19 Nan Jiang , Michael Schneier

We consider reaction networks that admit a singular perturbation reduction in a certain parameter range. The focus of this paper is on deriving "small parameters" (briefly for small perturbation parameters), to gauge the accuracy of the…

Dynamical Systems · Mathematics 2023-03-21 Justin Eilertsen , Santiago Schnell , Sebastian Walcher

We propose and show the efficacy of a new method to address generic inverse problems. Inverse modeling is the task whereby one seeks to determine the control parameters of a natural system that produce a given set of observed measurements.…

Machine Learning · Computer Science 2023-08-15 Gregory P. Spell , Simiao Ren , Leslie M. Collins , Jordan M. Malof

We develop tools from computational algebraic geometry for the study of steady state features of autonomous polynomial dynamical systems via elimination of variables. In particular, we obtain nontrivial bounds for the steady state…

Quantitative Methods · Quantitative Biology 2014-07-14 Mercedes Pérez Millán , Alicia Dickenstein

Cell signaling networks are complex and often incompletely characterized, making it difficult to obtain a comprehensive picture of the mechanisms they encode. Mathematical modeling of these networks provides important clues, but the models…

Molecular Networks · Quantitative Biology 2022-11-07 Soutick Saha , Hye-ran Moon , Bumsoo Han , Andrew Mugler

Systems biology seeks to create math models of biological systems to reduce inherent biological complexity and provide predictions for applications such as therapeutic development. However, it remains a challenge to determine which math…

Quantitative Methods · Quantitative Biology 2022-08-05 Vincent D. Zaballa , Elliot E. Hui

The modern thermodynamics of discrete systems is based on graph theory, which provides both algebraic methods to define observables and a geometric intuition of their meaning and role. However, because chemical reactions are usually…

Statistical Mechanics · Physics 2023-04-04 Sara Dal Cengio , Vivien Lecomte , Matteo Polettini