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The dynamics of stochastic reaction networks within cells are inevitably modulated by factors considered extrinsic to the network such as for instance the fluctuations in ribsome copy numbers for a gene regulatory network. While several…

Quantitative Methods · Quantitative Biology 2015-06-19 Christoph Zechner , Heinz Koeppl

We consider the problem of estimating the dynamic latent states of an intracellular multiscale stochastic reaction network from time-course measurements of fluorescent reporters. We first prove that accurate solutions to the filtering…

Methodology · Statistics 2020-09-09 Zhou Fang , Ankit Gupta , Mustafa Khammash

In the stochastic formulation of chemical kinetics, the stationary moments of the population count of species can be described via a set of linear equations. However, except for some specific cases such as systems with linear reaction…

Quantitative Methods · Quantitative Biology 2017-01-02 Khem Raj Ghusinga , Cesar A. Vargas-Garcia , Andrew Lamperski , Abhyudai Singh

Steady states are frequently used to investigate the long-term behaviors of (bio)-chemical systems. Recently, there has been a growing interest in network-based approaches due to their efficiency in deriving parametrizations of positive…

Dynamical Systems · Mathematics 2024-04-02 Bryan S. Hernandez , Patrick Vincent N. Lubenia

There has been an increasing demand for formal methods in the design process of safety-critical synthetic genetic circuits. Probabilistic model checking techniques have demonstrated significant potential in analyzing the intrinsic…

Emerging Technologies · Computer Science 2019-01-24 Thakur Neupane , Zhen Zhang , Curtis Madsen , Hao Zheng , Chris J. Myers

In this paper we consider large state space continuous time Markov chains (MCs) arising in the field of systems biology. For density dependent families of MCs that represent the interaction of large groups of identical objects, Kurtz has…

Performance · Computer Science 2015-03-04 Alessio Angius , Gianfranco Balbo , Marco Beccuti , Enrico Bibbona , Andras Horvath , Roberta Sirovich

Hybrid systems, and Piecewise Deterministic Markov Processes in particular, are widely used to model and numerically study systems exhibiting multiple time scales in biochemical reaction kinetics and related areas. In this paper an almost…

Numerical Analysis · Mathematics 2011-12-07 Martin G. Riedler

Stochastic processes can model many emerging phenomena on networks, like the spread of computer viruses, rumors, or infectious diseases. Understanding the dynamics of such stochastic spreading processes is therefore of fundamental interest.…

Social and Information Networks · Computer Science 2019-01-07 Gerrit Großmann , Verena Wolf

We present an inference scheme of long timescale, non-exponential kinetics from Molecular Dynamics simulations accelerated by stochastic resetting. Standard simulations provide valuable insight into chemical processes but are limited to…

Chemical Physics · Physics 2024-10-15 Ofir Blumer , Shlomi Reuveni , Barak Hirshberg

System identification in scenarios where the observed number of variables is less than the degrees of freedom in the dynamics is an important challenge. In this work we tackle this problem by using a recognition network to increase the…

Computational Physics · Physics 2020-10-14 Constantino A. Garcia , Paulo Felix , Jesus M. Presedo , Abraham Otero

In the presence of multiscale dynamics in a reaction network, direct simulation methods become inefficient as they can only advance the system on the smallest scale. This work presents stochastic averaging techniques to accelerate…

Probability · Mathematics 2016-03-23 Araz Hashemi , Marcel Nunez , Petr Plechac , Dionisios G. Vlachos

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

We present a systematic study of the reconstruction of a non-negative function via maximum entropy approach utilizing the information contained in a finite number of moments of the function. For testing the efficacy of the approach, we…

Mathematical Physics · Physics 2015-05-18 Parthapratim Biswas , Arun K. Bhattacharya

We propose to model the dynamics of metabolic networks from a systems biology point of view by four dynamical structure elements: potential function, transverse matrix, degradation matrix, and stochastic force. These four elements are…

Molecular Networks · Quantitative Biology 2007-05-23 P. Ao

Biological neural networks are notoriously hard to model due to their stochastic behavior and high dimensionality. We tackle this problem by constructing a dynamical model of both the expectations and covariances of the fractions of active…

Neurons and Cognition · Quantitative Biology 2025-02-25 Vincent Painchaud , Patrick Desrosiers , Nicolas Doyon

Atomistic simulations provide valuable insights into the physical processes governing material behavior. However, their applicability is fundamentally constrained by the limited time scales accessible to brute-force simulations. This…

Computational Physics · Physics 2026-02-16 Michael Kim , Wei Cai

Stochastic dynamics of chemical reactions in a mutually repressing two-gene circuit is numerically simulated. The circuit has a rich variety of different states when the kinetic change of DNA status is slow. The stochastic switching…

Disordered Systems and Neural Networks · Physics 2009-11-11 Tomohiro Ushikubo , Wataru Inoue , Mitsumasa Yoda , Masaki Sasai

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

The notion of entropy is shared between statistics and thermodynamics, and is fundamental to both disciplines. This makes statistical problems particularly suitable for reaction network implementations. In this paper we show how to perform…

Molecular Networks · Quantitative Biology 2017-04-07 Muppirala Viswa Virinchi , Abhishek Behera , Manoj Gopalkrishnan

Finding reduced models of spatially-distributed chemical reaction networks requires an estimation of which effective dynamics are relevant. We propose a machine learning approach to this coarse graining problem, where a maximum entropy…

Biological Physics · Physics 2018-08-15 Oliver K. Ernst , Thomas Bartol , Terrence Sejnowski , Eric Mjolsness