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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

Models of reaction networks within interacting compartments (RNIC) are a generalization of stochastic reaction networks. It is most natural to think of the interacting compartments as "cells" that can appear, degrade, split, and even merge,…

Molecular Networks · Quantitative Biology 2025-02-27 David F. Anderson , Aidan S. Howells

The importance of stochasticity within biological systems has been shown repeatedly during the last years and has raised the need for efficient stochastic tools. We present SABRE, a tool for stochastic analysis of biochemical reaction…

Computational Engineering, Finance, and Science · Computer Science 2010-05-18 Frederic Didier , Thomas A. Henzinger , Maria Mateescu , Verena Wolf

The sensitivity analysis of biological system models can significantly contribute to identifying and explaining influences of internal or external changes on model and its elements. We propose here a comprehensive framework to study…

Molecular Networks · Quantitative Biology 2019-02-11 Gaoxiang Zhou , Kai-Wen Liang , Natasa Miskov-Zivanov

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 existing literature on stochastic simulation of chemical reaction networks has a tendency to move as quickly as possible to the abstract formulation of the stochastic dynamics in terms of probabilities based on the concept of the…

Statistics Theory · Mathematics 2007-06-13 Sergey Plyasunov

The interactions between parameters, model structure, and outputs can determine what inferences, predictions, and control strategies are possible for a given system. Parameter space reduction and parameter estimation---and, more generally,…

Dynamical Systems · Mathematics 2018-02-16 Andrew F. Brouwer , Marisa C. Eisenberg

Identifying network structure and inferring parameters are central challenges in modeling chemical reaction networks. In this study, we propose likelihood-based methods grounded in multinomial logistic regression to infer both…

Quantitative Methods · Quantitative Biology 2025-07-29 Boseung Choi , Hey-Won Kang , Grzegorz A. Rempala

Sensitivity methods for the analysis of the outputs of discrete Bayesian networks have been extensively studied and implemented in different software packages. These methods usually focus on the study of sensitivity functions and on the…

Artificial Intelligence · Computer Science 2016-07-05 Manuele Leonelli , Christiane Görgen , Jim Q. Smith

We propose a numerical technique for parameter inference in Markov models of biological processes. Based on time-series data of a process we estimate the kinetic rate constants by maximizing the likelihood of the data. The computation of…

Quantitative Methods · Quantitative Biology 2011-02-15 Aleksandr Andreychenko , Linar Mikeev , David Spieler , Verena Wolf

Background: Stochastic biochemical reaction networks are commonly modelled by the chemical master equation, and can be simulated as first order linear differential equations through a finite state projection. Due to the very high state…

Quantitative Methods · Quantitative Biology 2012-07-10 Steffen Waldherr , Bernard Haasdonk

We consider the problem of estimating parameter sensitivities for stochastic models of multiscale reaction networks. These sensitivity values are important for model analysis, and, the methods that currently exist for sensitivity estimation…

Probability · Mathematics 2018-10-02 Ankit Gupta , Mustafa Khammash

We propose a new sensitivity analysis methodology for complex stochastic dynamics based on the Relative Entropy Rate. The method becomes computationally feasible at the stationary regime of the process and involves the calculation of…

Mathematical Physics · Physics 2013-04-16 Yannis Pantazis , Markos A. Katsoulakis

We present a method for estimating parameters in stochastic models of biochemical reaction networks by fitting steady-state distributions using Wasserstein distances. We simulate a reaction network at different parameter settings and train…

Quantitative Methods · Quantitative Biology 2020-01-29 Kaan Öcal , Ramon Grima , Guido Sanguinetti

The development of mechanistic models of biological systems is a central part of Systems Biology. One major task in developing these models is the inference of the correct model parameters. Due to the size of most realistic models and their…

Quantitative Methods · Quantitative Biology 2016-06-28 Jan Mikelson , Mustafa Khammash

This report proposes a novel framework for a rigorous robustness analysis of stochastic biochemical systems. The technique is based on probabilistic model checking. We adapt the general definition of robustness introduced by Kitano to the…

Numerical Analysis · Computer Science 2013-10-18 Lubos Brim , Milan Ceska , Sven Drazan , David Safranek

Pathways-reduced analysis is one of the techniques used by the Fispact-II nuclear activation and transmutation software to study the sensitivity of the computed inventories to uncertainties in reaction cross-sections. Although deciding…

Computational Physics · Physics 2016-05-19 Wayne Arter , J. Guy Morgan , Samuel D. Relton , Nicholas J. Higham

Stochastic models of biochemical reaction networks are widely used to capture intrinsic noise in cellular systems. The typical formulation of these models are based on Markov processes for which there is extensive research on efficient…

Molecular Networks · Quantitative Biology 2025-12-03 Thomas P. Steele , David J. Warne

A vulnerability scan combined with information about a computer network can be used to create an attack graph, a model of how the elements of a network could be used in an attack to reach specific states or goals in the network. These…

Cryptography and Security · Computer Science 2021-03-19 Isaac Matthews , Sadegh Soudjani , Aad van Moorsel

Parametric sensitivity analysis is a critical component in the study of mathematical models of physical systems. Due to its simplicity, finite difference methods are used extensively for this analysis in the study of stochastically modeled…

Numerical Analysis · Mathematics 2020-09-03 David F. Anderson , Chaojie Yuan