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The paper has two goals: It presents basic ideas, notions, and methods for reduction of reaction kinetics models: quasi-steady-state, quasi-equilibrium, slow invariant manifolds, and limiting steps. It describes briefly the current state of…

Chemical Physics · Physics 2022-05-17 A. N. Gorban

A useful approach to the mathematical analysis of large-scale biological networks is based upon their decompositions into monotone dynamical systems. This paper deals with two computational problems associated to finding decompositions…

Molecular Networks · Quantitative Biology 2007-05-23 Bhaskar DasGupta , German Andres Enciso , Eduardo Sontag , Yi Zhang

Chemical reactions modeled by ordinary differential equations are finite-dimensional dissipative dynamical systems with multiple time-scales. They are numerically hard to tackle -- especially when they enter an optimal control problem as…

Optimization and Control · Mathematics 2017-03-27 Marcus Heitel , Dirk Lebiedz

Graphical models are widely used to make inferences concerning interplay in multivariate systems. In many applications, data are collected from multiple related but nonidentical units whose underlying networks may differ but are likely to…

Methodology · Statistics 2014-12-04 Chris J. Oates , Jim Korkola , Joe W. Gray , Sach Mukherjee

Populations of heterogeneous cells play an important role in many biological systems. In this paper we consider systems where each cell can be modelled by an ordinary differential equation. To account for heterogeneity, parameter values are…

Quantitative Methods · Quantitative Biology 2009-09-27 Steffen Waldherr , Jan Hasenauer , Frank Allgöwer

We derive a reduction formula for singularly perturbed ordinary differential equations (in the sense of Tikhonov and Fenichel) with a known parameterization of the critical manifold. No a priori assumptions concerning separation of slow and…

Dynamical Systems · Mathematics 2020-02-19 Elisenda Feliu , Niclas Kruff , Sebastian Walcher

Dynamical system models of complex biochemical reaction networks are usually high-dimensional, nonlinear, and contain many unknown parameters. In some cases the reaction network structure dictates that positive equilibria must be unique for…

Dynamical Systems · Mathematics 2008-09-09 Gheorghe Craciun , J. William Helton , Ruth J. Williams

We consider a problem from biological network analysis of determining regions in a parameter space over which there are multiple steady states for positive real values of variables and parameters. We describe multiple approaches to address…

Symbolic Computation · Computer Science 2019-11-25 R. Bradford , J. H. Davenport , M. England , H. Errami , V. Gerdt , D. Grigoriev , C. Hoyt , M. Kosta , O. Radulescu , T. Sturm , A. Weber

Analyzing large volumes of high-dimensional data requires dimensionality reduction: finding meaningful low-dimensional structures hidden in their high-dimensional observations. Such practice is needed in atomistic simulations of complex…

Computational Physics · Physics 2023-10-17 Jakub Rydzewski , Ming Chen , Omar Valsson

We discuss a method of parameter reduction in complex models known as the Manifold Boundary Approximation Method (MBAM). This approach, based on a geometric interpretation of statistics, maps the model reduction problem to a geometric…

Data Analysis, Statistics and Probability · Physics 2016-05-30 Mark K. Transtrum

We propose a hybrid physics-informed machine learning framework to approximate invariant manifolds (IMs) of discrete-time dynamical systems driven by exogenous autonomous dynamics (exosystems). Such systems appear in applications ranging…

Models of biochemical networks are usually presented as connected graphs where vertices indicate proteins and edges are drawn to indicate activation or inhibition relationships. These diagrams are useful for drawing qualitative conclusions…

Dynamical Systems · Mathematics 2023-09-29 Chathranee Jayathilaka , Robyn Araujo , Lan Nguyen , Mark Flegg

Complex mathematical models of interaction networks are routinely used for prediction in systems biology. However, it is difficult to reconcile network complexities with a formal understanding of their behavior. Here, we propose a simple…

Biological Physics · Physics 2017-11-22 Félix Proulx-Giraldeau , Thomas J. Rademaker , Paul François

This work introduces a parametric simulation-free reduced order model for incompressible flows undergoing a Hopf bifurcation, leveraging the parametrisation method for invariant manifolds. Unlike data-driven approaches, this method operates…

Computational Engineering, Finance, and Science · Computer Science 2025-10-31 Alessio Colombo , Alessandra Vizzaccaro , Cyril Touzé , André de F. Stabile , Luc Pastur , Attilio Frangi

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

We present an elaborate framework for formally modelling pathways in chemical reaction networks on a mechanistic level. Networks are modelled mathematically as directed multi-hypergraphs, with vertices corresponding to molecules and…

Molecular Networks · Quantitative Biology 2017-12-08 Jakob L. Andersen , Christoph Flamm , Daniel Merkle , Peter F. Stadler

The concept of the limiting step is extended to the asymptotology of multiscale reaction networks. Complete theory for linear networks with well separated reaction rate constants is developed. We present algorithms for explicit…

Chemical Physics · Physics 2010-06-15 A. N. Gorban , O. Radulescu , A. Y. Zinovyev

Stochastic models for chemical reaction networks have become very popular in recent years. For such models, the estimation of parameter sensitivities is an important and challenging problem. Sensitivity values help in analyzing the network,…

Probability · Mathematics 2013-10-08 Ankit Gupta , Mustafa Khammash

In this paper, we review the construction of low-dimensional manifolds of reduced description for equations of chemical kinetics from the standpoint of the method of invariant manifold (MIM). MIM is based on a formulation of the condition…

Statistical Mechanics · Physics 2007-05-23 Alexander N. Gorban , Iliya V. Karlin

The automated inference of physically interpretable (bio)chemical reaction network models from measured experimental data is a challenging problem whose solution has significant commercial and academic ramifications. It is demonstrated,…

Neural and Evolutionary Computing · Computer Science 2014-12-22 Dominic P. Searson , Mark J. Willis , Allen Wright