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When the output of an atomistic simulation (such as the Gillespie stochastic simulation algorithm, SSA) can be approximated as a diffusion process, we may be interested in the dynamic features of the deterministic (drift) component of this…

Statistical Mechanics · Physics 2007-05-23 C. P. Calderon , G. A. Tsekouras , A. Provata , I. G. Kevrekidis

Discrete-state, continuous-time Markov models are widely used in the modeling of biochemical reaction networks. Their complexity often precludes analytic solution, and we rely on stochastic simulation algorithms to estimate system…

Quantitative Methods · Quantitative Biology 2016-05-20 Christopher Lester , Christian A. Yates , Michael B. Giles , Ruth E. Baker

We present a highly efficient and accurate hybrid stochastic simulation algorithm (HSSA) for the purpose of simulating a subset of biochemical reactions of large gene regulatory networks (GRN). The algorithm relies on the separability of a…

Molecular Networks · Quantitative Biology 2020-09-29 Jaroslav Albert

A variety of simulation methodologies have been used for modeling reaction-diffusion dynamics -- including approaches based on Differential Equations (DE), the Stochastic Simulation Algorithm (SSA), Brownian Dynamics (BD), Green's Function…

Chemical Physics · Physics 2021-05-21 Marcus Thomas , Russell Schwartz

The time-ordered product framework of quantum field theory can also be used to understand salient phenomena in stochastic biochemical networks. It is used here to derive Gillespie's Stochastic Simulation Algorithm (SSA) for chemical…

Quantitative Methods · Quantitative Biology 2015-06-11 Eric Mjolsness

The model of chemical reaction networks is among the oldest and most widely studied and used in natural science. The model describes reactions among abstract chemical species, for instance $A + B \to C$, which indicates that if a molecule…

Data Structures and Algorithms · Computer Science 2026-02-16 Joshua Petrack , David Doty

This is a method for discrete event simulation specified by survival analysis. It presents a sequence of steps. First, hazard rates from survival analysis specify the rates of a set of counting processes. Second, those counting processes…

Computation · Statistics 2016-10-14 Andrew J. Dolgert

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

Stochastic chemical systems with diffusion are modeled with a reaction-diffusion master equation. On a macroscopic level, the governing equation is a reaction-diffusion equation for the averages of the chemical species. On a mesoscopic…

Numerical Analysis · Mathematics 2009-03-06 Stefan Engblom , Lars Ferm , Andreas Hellander , Per Lötstedt

The stochastic simulation algorithm (SSA) and the corresponding Monte Carlo (MC) method are among the most common approaches for studying stochastic processes. They rely on knowledge of interevent probability density functions (PDFs) and on…

Computation · Statistics 2024-02-12 S. Rusconi , E. Akhmatskaya , D. Sokolovski , N. Ballard , J. C. de la Cal

Stochastic master equations are often used to describe conditional spin squeezing of atomic ensemble, but are limited so far to the systems with few atoms due to the exponentially increased Hilbert space. In this article, we present an…

Quantum Physics · Physics 2024-02-06 ZhiQing Zhang , Yuan Zhang , HaiZhong Guo , ChongXin Shan , Gang Chen , Klaus Mølmer

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

Efficient analysis and simulation of multiscale stochastic systems of chemical kinetics is an ongoing area for research, and is the source of many theoretical and computational challenges. In this paper, we present a significant improvement…

Numerical Analysis · Mathematics 2016-09-21 Simon Cotter

The simulation of complex stochastic network dynamics arising, for instance, from models of coupled biomolecular processes remains computationally challenging. Often, the necessity to scan a models' dynamics over a large parameter space…

Quantitative Methods · Quantitative Biology 2013-03-14 Tiago Ramalho , Marco Selig , Ulrich Gerland , Torsten A. Enßlin

In this paper, we evaluate stochastic-computing simulated annealing (SC-SA) for solving large-scale combinatorial optimization problems. SC-SA is designed using stochastic computing, where the computatoin is reazlied using random bitstream,…

Optimization and Control · Mathematics 2026-03-24 Kota Katsuki , Duckgyu Shin , Naoya Onizawa , Takahiro Hanyu

Stochastic agent-based models can account for millions of cells with spatiotemporal movement that can be a function of different factors. However, these simulations can be computationally expensive. In this work, we develop a novel…

Numerical Analysis · Mathematics 2019-09-11 Michael A. Yereniuk , Sarah D. Olson

It is increasingly realized that taking stochastic effects into account is important in order to study biological cells. However, the corresponding mathematical formulation, the chemical master equation (CME), suffers from the curse of…

Numerical Analysis · Mathematics 2023-09-18 Lukas Einkemmer , Julian Mangott , Martina Prugger

Discrete-state, continuous-time Markov models are becoming commonplace in the modelling of biochemical processes. The mathematical formulations that such models lead to are opaque, and, due to their complexity, are often considered…

Quantitative Methods · Quantitative Biology 2017-10-31 Christopher Lester

A practical introduction to stochastic modelling of reaction-diffusion processes is presented. No prior knowledge of stochastic simulations is assumed. The methods are explained using illustrative examples. The article starts with the…

Subcellular Processes · Quantitative Biology 2007-11-19 Radek Erban , Jonathan Chapman , Philip Maini

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