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The in vitro transcription (IVT) process is a critical step in RNA production. To ensure the efficiency of RNA manufacturing, it is essential to optimize and identify its key influencing factors. In this study, multiple Gaussian Process…

Quantitative Methods · Quantitative Biology 2024-11-01 Min Tao , Adithya Nair , Ioanna Kalospyrou , Robert A Milton , Mabrouka Maamra , Zoltan Kis , Joan Cordiner , Solomon F Brown

We present an algorithm for the stochastic simulation of gene expression and heterogeneous population dynamics. The algorithm combines an exact method to simulate molecular-level fluctuations in single cells and a constant-number Monte…

Computational Physics · Physics 2016-08-24 Daniel A. Charlebois , Jukka Intosalmi , Dawn Fraser , Mads Kaern

We consider the problem of efficiently performing simulation and inference for stochastic kinetic models. Whilst it is possible to work directly with the resulting Markov jump process, computational cost can be prohibitive for networks of…

Computation · Statistics 2015-06-18 Chris Sherlock , Andrew Golightly , Colin Gillespie

Several stochastic simulation algorithms (SSAs) have been recently proposed for modelling reaction-diffusion processes in cellular and molecular biology. In this paper, two commonly used SSAs are studied. The first SSA is an on-lattice…

Biological Physics · Physics 2015-05-13 Radek Erban , S Jonathan Chapman

Stochastic Reaction Networks (SRNs) are a fundamental modeling framework for systems ranging from chemical kinetics and epidemiology to ecological and synthetic biological processes. A central computational challenge is the estimation of…

Molecular Networks · Quantitative Biology 2025-12-09 Quentin Badolle , Arthur Theuer , Zhou Fang , Ankit Gupta , Mustafa Khammash

Gene regulatory networks (GRNs) orchestrate cellular decision making and survival strategies. Inferring the structure of these networks from high-dimensional transcriptomics data is a central challenge in systems biology. Traditional…

Applications · Statistics 2025-08-01 Visweswaran Ravikumar , Aaresh Bhathena , Wajd N Al-Holou , Salar Fattahi , Arvind Rao

Over the past twenty years, artificial Gene Regulatory Networks (GRNs) have shown their capacity to solve real-world problems in various domains such as agent control, signal processing and artificial life experiments. They have also…

Neural and Evolutionary Computing · Computer Science 2018-07-17 Dennis G Wilson , Kyle Harrington , Sylvain Cussat-Blanc , Hervé Luga

The stochastic simulation algorithm (SSA) is widely used to perform exact forward simulation of discrete stochastic processes in biology. However, the computational cost, driven by sequential event-by-event sampling across large ensembles,…

Quantitative Methods · Quantitative Biology 2026-05-04 Tom Kimpson , Mark B. Flegg , Jennifer A. Flegg

Reconstructing the causal network in a complex dynamical system plays a crucial role in many applications, from sub-cellular biology to economic systems. Here we focus on inferring gene regulation networks (GRNs) from perturbation or gene…

Quantitative Methods · Quantitative Biology 2016-12-21 Hoi-To Wai , Anna Scaglione , Uzi Harush , Baruch Barzel , Amir Leshem

Genetic algorithms have played an important role in engineering optimization. Traditional GAs treat each gene separately. However, biophysical studies of gene regulatory networks revealed direct associations between different genes. It…

Neural and Evolutionary Computing · Computer Science 2024-05-01 Zhaoning Shi , Meng Xiang , Zhaoyang Hai , Xiabi Liu , Yan Pei

We present novel algorithms for simulation optimization using random directions stochastic approximation (RDSA). These include first-order (gradient) as well as second-order (Newton) schemes. We incorporate both continuous-valued as well as…

Optimization and Control · Mathematics 2015-08-11 Prashanth L. A. , Shalabh Bhatnagar , Michael Fu , Steve Marcus

A major goal in genomics is to properly capture the complex dynamical behaviors of gene regulatory networks (GRNs). This includes inferring the complex interactions between genes, which can be used for a wide range of genomics analyses,…

Molecular Networks · Quantitative Biology 2023-01-18 Mohammad Alali , Mahdi Imani

A widely used approach to describe the dynamics of gene regulatory networks is based on the chemical master equation, which considers probability distributions over all possible combinations of molecular counts. The analysis of such models…

Molecular Networks · Quantitative Biology 2019-06-04 Pavel Kurasov , Alexander Lück , Delio Mugnolo , Verena Wolf

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

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

One of the focus areas of modern scientific research is to reveal mysteries related to genes and their interactions. The dynamic interactions between genes can be encoded into a gene regulatory network (GRN), which can be used to gain…

Optimization and Control · Mathematics 2020-07-16 Atte Aalto , Lauri Viitasaari , Pauliina Ilmonen , Laurent Mombaerts , Jorge Goncalves

We propose a universal approach for analysis and fast simulations of stiff stochastic biochemical kinetics networks, which rests on elimination of fast chemical species without a loss of information about mesoscopic, non-Poissonian…

Molecular Networks · Quantitative Biology 2009-07-07 N. A. Sinitsyn , Nicolas Hengartner , Ilya Nemenman

Stochastic simulation can make the molecular processes of cellular control more vivid than the traditional differential-equation approach by generating typical system histories instead of just statistical measures such as the mean and…

Subcellular Processes · Quantitative Biology 2018-09-18 Kevin Y. Chen , Daniel M. Zuckerman , Philip C. Nelson

Stochastic effect in cellular systems has been an important topic in systems biology. Stochastic modeling and simulation methods are important tools to study stochastic effect. Given the low efficiency of stochastic simulation algorithms,…

Numerical Analysis · Mathematics 2016-03-29 Shuo Wang , Yang Pu , Layne Watson , Yang Cao

In an experimental study of single enzyme reactions, it has been proposed that the rate constants of the enzymatic reactions fluctuate randomly, according to a given distribution. To quantify the uncertainty arising from random rate…

Quantitative Methods · Quantitative Biology 2012-02-07 Chia Ying Lee