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Reaction networks are often used to model interacting species in fields such as biochemistry and ecology. When the counts of the species are sufficiently large, the dynamics of their concentrations are typically modeled via a system of…

数值分析 · 数学 2022-01-05 David F. Anderson , Kurt W. Ehlert

We propose a hierarchy of multi-level kinetic Monte Carlo methods for sampling high-dimensional, stochastic lattice particle dynamics with complex interactions. The method is based on the efficient coupling of different spatial resolution…

数值分析 · 数学 2012-08-06 Evangelia Kalligiannaki , Markos A. Katsoulakis , Petr Plechac

In dynamic discrete choice models, some parameters, such as the discount factor, are being fixed instead of being estimated. This paper proposes two sensitivity analysis procedures for dynamic discrete choice models with respect to the…

计量经济学 · 经济学 2024-08-30 Chun Pong Lau

We study a variance reduction strategy based on control variables for simulating the averaged macroscopic behavior of a stochastic slow-fast system. We assume that this averaged behavior can be written in terms of a few slow degrees of…

数值分析 · 数学 2016-09-16 Ward Melis , Giovanni Samaey

Stochastic modeling of chemical reaction systems based on master equations has been an indispensable tool in physical sciences. In the long-time limit, the properties of these systems are characterized by stationary distributions of…

统计力学 · 物理学 2023-05-03 Yuji Hirono , Ryo Hanai

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…

定量方法 · 定量生物学 2012-02-07 Chia Ying Lee

Molecular motors and other complex nonequilibrium systems are controlled by large sets of design parameters, and optimizing those parameters requires computing sensitivities -- derivatives of dynamical observables with respect to the…

统计力学 · 物理学 2026-05-12 John Strahan , Todd R. Gingrich

Stochastic evolution of Chemical Reactions Networks (CRNs) over time is usually analysed through solving the Chemical Master Equation (CME) or performing extensive simulations. Analysing stochasticity is often needed, particularly when some…

计算机科学中的逻辑 · 计算机科学 2015-09-11 Luca Laurenti , Luca Cardelli , Marta Kwiatkowska

This work reviews deterministic and diffusion approximations of the stochastic chemical reaction networks and explains their applications. We discuss the added value the diffusion approximation provides for systems with different phenomena,…

There exist several methods for simulating biological and physical systems as represented by chemical reaction networks. Systems with low numbers of particles are frequently modelled as discrete-state Markov jump processes and are typically…

定量方法 · 定量生物学 2022-10-24 Joshua C. Kynaston , Christian A Yates , Anna Hekkink , Chris Guiver

We study networks of biochemical reactions modelled by continuous-time Markov processes. Such networks typically contain many molecular species and reactions and are hard to study analytically as well as by simulation. Particularly, we are…

分子网络 · 定量生物学 2018-05-22 Daniele Cappelletti , Carsten Wiuf

We consider chemical reaction networks modeled by a discrete state and continuous in time Markov process for the vector copy number of the species and provide a novel particle filter method for state and parameter estimation based on exact…

分子网络 · 定量生物学 2021-02-24 Muruhan Rathinam , Mingkai Yu

Complex behaviour in many systems arises from the stochastic interactions of spatially distributed particles or agents. Stochastic reaction-diffusion processes are widely used to model such behaviour in disciplines ranging from biology to…

统计力学 · 物理学 2016-08-23 David Schnoerr , Ramon Grima , Guido Sanguinetti

We discuss a method of approximate model reduction for networks of biochemical reactions. This method can be applied to networks with polynomial or rational reaction rates and whose parameters are given by their orders of magnitude. In…

分子网络 · 定量生物学 2015-05-27 Ovidiu Radulescu , Sergei Vakulenko , Dima Grigoriev

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…

计算工程、金融与科学 · 计算机科学 2019-01-23 Nikhil Galagali , Youssef M. Marzouk

Sensitivity analysis is an effective tool for systematically identifying specific perturbations in parameters that have significant effects on the behavior of a given biosystem, at the scale investigated. In this work, using a…

定量方法 · 定量生物学 2007-12-04 Zhihui Wang , Christina M. Birch , Thomas S. Deisboeck

Uncertainty quantification is a primary challenge for reliable modeling and simulation of complex stochastic dynamics. Such problems are typically plagued with incomplete information that may enter as uncertainty in the model parameters, or…

概率论 · 数学 2015-07-15 Paul Dupuis , Markos A. Katsoulakis , Yannis Pantazis , Petr Plechac

In this paper, we propose an optimization-based sparse learning approach to identify the set of most influential reactions in a chemical reaction network. This reduced set of reactions is then employed to construct a reduced chemical…

最优化与控制 · 数学 2017-12-14 Farshad Harirchi , Omar A. Khalil , Sijia Liu , Paolo Elvati , Angela Violi , Alfred O. Hero

Sensitivity analysis measures the influence of a Bayesian network's parameters on a quantity of interest defined by the network, such as the probability of a variable taking a specific value. Various sensitivity measures have been defined…

统计方法学 · 统计学 2023-02-02 Rafael Ballester-Ripoll , Manuele Leonelli

In the following article we provide an exposition of exact computational methods to perform parameter inference from partially observed network models. In particular, we consider the duplication attachment (DA) model which has a likelihood…

统计计算 · 统计学 2013-06-20 Junshan Wang , Ajay Jasra , Maria De Iorio