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Motivated by chemical reaction rules, we introduce a rule-based epidemiological framework for the systematic mathematical modelling of future pandemics. Here we stress that we do not have a specific model in mind, but a whole collection of…

Populations and Evolution · Quantitative Biology 2024-05-24 David Alonso , Steffen Bauer , Markus Kirkilionis , Lisa Maria Kreusser , Luca Sbano

Gillespie's direct method for stochastic simulation of chemical kinetics is a staple of computational systems biology research. However, the algorithm requires explicit enumeration of all reactions and all chemical species that may arise in…

Quantitative Methods · Quantitative Biology 2018-02-01 Ryan Suderman , Eshan D. Mitra , Yen Ting Lin , Keesha E. Erickson , Song Feng , William S. Hlavacek

We present a simple and general framework to simulate statistically correct realizations of a system of non-Markovian discrete stochastic processes. We give the exact analytical solution and a practical an efficient algorithm alike the…

Disordered Systems and Neural Networks · Physics 2014-10-21 Marian Boguna , Luis F. Lafuerza , Raul Toral , M. Angeles Serrano

Stochastic simulations are one of the cornerstones of the analysis of dynamical processes on complex networks, and are often the only accessible way to explore their behavior. The development of fast algorithms is paramount to allow…

Quantitative Methods · Quantitative Biology 2015-11-09 Christian L. Vestergaard , Mathieu Génois

Many multiagent dynamics, including various collective dynamics occurring on networks, can be modeled as a stochastic process in which the agents in the system change their state over time in interaction with each other. The Gillespie…

Physics and Society · Physics 2022-12-19 Naoki Masuda , Christian L. Vestergaard

Over the course of the COVID-19 pandemic, Generalised Additive Models (GAMs) have been successfully employed on numerous occasions to obtain vital data-driven insights. In this paper we further substantiate the success story of GAMs,…

This paper gives an introduction to rule-based modelling applied to topics in infectious diseases. Rule-based models generalise reaction-based models with reagents that have internal state and may be bound together to form complexes, as in…

Populations and Evolution · Quantitative Biology 2021-08-10 William Waites , Matteo Cavaliere , David Manheim , Jasmina Panovska-Griffiths , Vincent Danos

Numerical simulation of continuous-time Markovian processes is an essential and widely applied tool in the investigation of epidemic spreading on complex networks. Due to the high heterogeneity of the connectivity structure through which…

Physics and Society · Physics 2017-07-26 Wesley Cota , Silvio C. Ferreira

The M{\O}D computational framework implements rule-based generative chemistries as explicit transformations of graphs representing chemical structural formulae. Here, we expand M{\O}D by a stochastic simulation module that simulates the…

Molecular Networks · Quantitative Biology 2025-09-30 Erika M. Herrera Machado , Jakob L. Andersen , Rolf Fagerberg , Christoph Flamm , Daniel Merkle , Peter F. Stadler

Models invoking the chemical master equation are used in many areas of science, and, hence, their simulation is of interest to many researchers. The complexity of the problems at hand often requires considerable computational power, so a…

Biological Physics · Physics 2016-03-02 Fabian Spill , Philip K. Maini , Helen Byrne

We developed a model and a software package for stochastic simulations of transmission of COVID-19 and other similar infectious diseases, that takes into account contact network structures and geographical distribution of population…

Populations and Evolution · Quantitative Biology 2021-05-19 Alexander Temerev , Liudmila Rozanova , Olivia Keiser , Janne Estill

COVID-19 pandemic is severely impacting the lives of billions across the globe. Even after taking massive protective measures like nation-wide lockdowns, discontinuation of international flight services, rigorous testing etc., the infection…

Quantitative Methods · Quantitative Biology 2020-08-28 Sayantari Ghosh , Saumik Bhattacharya

In the wake of the 2020 COVID-19 epidemic, much work has been performed on the development of mathematical models for the simulation of the epidemic, and of disease models generally. Most works follow the susceptible-infected-removed (SIR)…

Numerical Analysis · Mathematics 2022-05-18 Nicola Guglielmi , Elisa Iacomini , Alex Viguerie

Epidemic models are used to analyze the progression or outcome of an epidemic under different control policies like vaccinations, quarantines, lockdowns, use of face-masks, pharmaceutical interventions, etc. When these models accurately…

Quantitative Methods · Quantitative Biology 2022-04-19 Carlos Hernandez-Suarez , Osval Montsinos Lopez , Ramon Solano-Barajas

The stochastic simulation algorithm commonly known as Gillespie's algorithm is now used ubiquitously in the modelling of biological processes in which stochastic effects play an important role. In well-mixed scenarios at the sub-cellular…

Quantitative Methods · Quantitative Biology 2019-07-23 Christian A Yates , Matthew J Ford , Richard L Mort

The ongoing COVID-19 pandemic calls for a multi-faceted public health response comprising complementary interventions to control the spread of the disease while vaccines and therapies are developed. Many of these interventions need to be…

Applications · Statistics 2020-08-24 Andres Colubri , Kailash Yadav , Abhishek Jha , Pardis C. Sabeti

The COVID-19 pandemic has emphasized the need for a robust understanding of epidemic models. Current models of epidemics are classified as either mechanistic or non-mechanistic: mechanistic models make explicit assumptions on the dynamics…

Machine Learning · Statistics 2022-01-14 Arnab Sarker , Ali Jadbabaie , Devavrat Shah

It is of vital importance to understand and track the dynamics of rapidly unfolding epidemics. The health and economic consequences of the current COVID-19 pandemic provide a poignant case. Here we point out that since they are based on…

Populations and Evolution · Quantitative Biology 2020-04-28 Z. Fodor , S. D. Katz , T. G. Kovacs

In this paper we survey recent work on the use of statistical model checking techniques for biological applications. We begin with an overview of the basic modelling techniques for biochemical reactions and their corresponding stochastic…

Logic in Computer Science · Computer Science 2014-11-04 Paolo Zuliani

Modern Bayesian approaches and workflows emphasize in how simulation is important in the context of model developing. Simulation can help researchers understand how the model behaves in a controlled setting and can be used to stress the…

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