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A data-driven computational method is introduced to extract chemical reaction mechanisms from time series chemical concentration data. It is realized through the use of dynamic symbolic regression in which a sparse analytical form for a…

Chemical Physics · Physics 2026-02-13 Manuel Palma Banos , Joel D. Kress , Rigoberto Hernandez , Galen T. Craven

We develop a stochastic epidemic model progressing over dynamic networks, where infection rates are heterogeneous and may vary with individual-level covariates. The joint dynamics are modeled as a continuous-time Markov chain such that…

Methodology · Statistics 2021-12-16 Fan Bu , Allison E. Aiello , Alexander Volfovsky , Jason Xu

Stochastic modeling and simulation provide powerful predictive methods for the intrinsic understanding of fundamental mechanisms in complex biochemical networks. Typically, such mathematical models involve networks of coupled jump…

Information Theory · Computer Science 2013-08-02 Yannis Pantazis , Markos A. Katsoulakis , Dionisios G. Vlachos

Inferring parameters of models of biochemical kinetics from single-cell data remains challenging because of the uncertainty arising from the intractability of the likelihood function of stochastic reaction networks. Such uncertainty falls…

Quantitative Methods · Quantitative Biology 2025-01-14 Zekai Li , Mauricio Barahona , Philipp Thomas

Logistic regression is a common classification method in supervised learning. Surprisingly, there are very few solutions for performing logistic regression with missing values in the covariates. We suggest a complete approach based on a…

Methodology · Statistics 2019-08-09 Wei Jiang , Julie Josse , Marc Lavielle , TraumaBase Group

Network models are widely used as structural summaries of biochemical systems. Statistical estimation of networks is usually based on linear or discrete models. However, the dynamics of these systems are generally nonlinear, suggesting that…

Applications · Statistics 2014-06-03 C. J. Oates , F. Dondelinger , N. Bayani , J. Korola , J. W. Gray , S. Mukherjee

We consider the problem of inferring the unknown parameters of a stochastic biochemical network model from a single measured time-course of the concentration of some of the involved species. Such measurements are available, e.g., from…

Molecular Networks · Quantitative Biology 2011-11-22 Christian L. Muller , Rajesh Ramaswamy , Ivo F. Sbalzarini

Epidemics are inherently stochastic, and stochastic models provide an appropriate way to describe and analyse such phenomena. Given temporal incidence data consisting of, for example, the number of new infections or removals in a given time…

Methodology · Statistics 2024-05-24 Sam A. Whitaker , Andrew Golightly , Colin S. Gillespie , Theodore Kypraios

Compartmental models, especially the Susceptible-Infected-Removed (SIR) model, have long been used to understand the behaviour of various diseases. Allowing parameters, such as the transmission rate, to be time-dependent functions makes it…

Methodology · Statistics 2024-09-27 Son Luu , Edward Susko , Lam Si Tung Ho

Logistic regression is key method for modeling the probability of a binary outcome based on a collection of covariates. However, the classical formulation of logistic regression relies on the independent sampling assumption, which is often…

Statistics Theory · Mathematics 2024-09-25 Somabha Mukherjee , Ziang Niu , Sagnik Halder , Bhaswar B. Bhattacharya , George Michailidis

Chemical reaction networks describe interactions between biochemical species. Once an underlying reaction network is given for a biochemical system, the system dynamics can be modelled with various mathematical frameworks such as continuous…

Probability · Mathematics 2023-06-22 German Enciso , Radek Erban , Jinsu Kim

We introduce a new method for inference in stochastic epidemic models which uses recursive multinomial approximations to integrate over unobserved variables and thus circumvent likelihood intractability. The method is applicable to a class…

Methodology · Statistics 2021-02-24 Nick Whiteley , Lorenzo Rimella

Stochasticity is a key characteristic of intracellular processes such as gene regulation and chemical signalling. Therefore, characterising stochastic effects in biochemical systems is essential to understand the complex dynamics of living…

Molecular Networks · Quantitative Biology 2019-03-04 David J. Warne , Ruth E. Baker , Matthew J. Simpson

Global pandemics, such as the recent COVID-19 crisis, highlight the need for stochastic epidemic models that can capture the randomness inherent in the spread of disease. Such models must be accompanied by methods for estimating parameters…

Quantitative Methods · Quantitative Biology 2026-04-13 Vincent Wieland , Nils Wassmuth , Lorenzo Contento , Martin Kühn , Jan Hasenauer

A detailed algorithmic explanation is required for how a network of chemical reactions can generate the sophisticated behavior displayed by living cells. Though several previous works have shown that reaction networks are computationally…

Emerging Technologies · Computer Science 2018-04-25 Muppirala Viswa Virinchi , Abhishek Behera , Manoj Gopalkrishnan

Throughout the course of an epidemic, the rate at which disease spreads varies with behavioral changes, the emergence of new disease variants, and the introduction of mitigation policies. Estimating such changes in transmission rates can…

Methodology · Statistics 2022-11-29 Jenny Huang , Raphaël Morsomme , David Dunson , Jason Xu

We present herein an extension of an algebraic statistical method for inferring biochemical reaction networks from experimental data, proposed recently in [3]. This extension allows us to analyze reaction networks that are not necessarily…

Molecular Networks · Quantitative Biology 2009-02-26 Gheorghe Craciun , Casian Pantea , Grzegorz A. Rempala

The development of chemical reaction models aids understanding and prediction in areas ranging from biology to electrochemistry and combustion. A systematic approach to building reaction network models uses observational data not only to…

Computational Engineering, Finance, and Science · Computer Science 2019-01-23 Nikhil Galagali , Youssef M. Marzouk

We present a novel method for identifying a biochemical reaction network based on multiple sets of estimated reaction rates in the corresponding reaction rate equations arriving from various (possibly different) experiments. The current…

Applications · Statistics 2008-10-06 Gheorghe Craciun , Casian Pantea , Grzegorz A. Rempala

This paper utilizes a stochastic Susceptible-Infected-recovered (SIR) model with a non-linear incidence rate to perform a detailed mathematical study of optimal lock-down intensity and vaccination rate under the COVID-19 pandemic…

Optimization and Control · Mathematics 2022-09-29 Paramahansa Pramanik
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