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The adoption of detailed mechanisms for chemical kinetics often poses two types of severe challenges: First, the number of degrees of freedom is large; and second, the dynamics is characterized by widely disparate time scales. As a result,…

Dynamical Systems · Mathematics 2025-10-01 Eliodoro Chiavazzo , C. William Gear , Carmeline J. Dsilva , Neta Rabin , Ioannis G. Kevrekidis

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

In dissipative ordinary differential equation systems different time scales cause anisotropic phase volume contraction along solution trajectories. Model reduction methods exploit this for simplifying chemical kinetics via a time scale…

Dynamical Systems · Mathematics 2011-01-13 Dirk Lebiedz , Volkmar Reinhardt , Jochen Siehr

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

Finite-dimensional dissipative dynamical systems with multiple time-scales are obtained when modeling chemical reaction kinetics with ordinary differential equations. Such stiff systems are computationally hard to solve and therefore,…

Optimization and Control · Mathematics 2019-07-03 Marcus Heitel , Robin Verschueren , Moritz Diehl , Dirk Lebiedz

Chemical kinetic models in terms of ordinary differential equations correspond to finite dimensional dissipative dynamical systems involving a multiple time scale structure. Most dimension reduction approaches aimed at a slow…

Dynamical Systems · Mathematics 2014-10-27 Dirk Lebiedz , Jonas Unger

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…

Molecular Networks · Quantitative Biology 2015-05-27 Ovidiu Radulescu , Sergei Vakulenko , Dima Grigoriev

Biochemical reaction systems may be viewed as discrete event processes characterized by a number of states and state transitions. These systems may be modeled as state transition systems with transitions representing individual reaction…

Chemical Physics · Physics 2017-08-23 Scott M. Bugenhagen , Daniel A. Beard

In the present work we compare reliability of several most widely used reduced detailed chemical kinetic schemes for hydrogen-air and hydrogen-oxygen combustible mixtures. The validation of the schemes includes detailed analysis of 0D and…

Fluid Dynamics · Physics 2013-12-13 M. F. Ivanov , A. D. Kiverin , M. A. Liberman , A. E Smygalina

The numerical simulation of realistic reactive flows is a major challenge due to the stiffness and high dimension of the corresponding kinetic differential equations. Manifold-based model reduction techniques address this problem by…

Dynamical Systems · Mathematics 2026-01-06 Jörn Dietrich , Dirk Lebiedz

This work proposes a model-reduction approach for the material point method on nonlinear manifolds. Our technique approximates the $\textit{kinematics}$ by approximating the deformation map using an implicit neural representation that…

Machine Learning · Computer Science 2023-02-13 Peter Yichen Chen , Maurizio M. Chiaramonte , Eitan Grinspun , Kevin Carlberg

A promising approach to investigating high-dimensional problems is to identify their intrinsically low-dimensional features, which can be achieved through recently developed techniques for effective low-dimensional representation of…

Analysis of PDEs · Mathematics 2025-06-02 Zeyu Jin , Ruo Li

Accurate low dimension chemical kinetic models for methane are an essential component in the design of efficient gas turbine combustors. Kinetic models coupled to computational fluid dynamics (CFD) provide quick and efficient ways to test…

Chemical Physics · Physics 2022-06-10 Mark Kelly , Gilles Bourque , Stephen Dooley

The use of machine learning algorithms to predict behaviors of complex systems is booming. However, the key to an effective use of machine learning tools in multi-physics problems, including combustion, is to couple them to physical and…

Propagating uncertainties introduced by chemical reaction rate parameters to high-fidelity numerical simulations of complex combustion devices is necessary to ascertain impact on computational predictions. However, the high cost of detailed…

Computational Physics · Physics 2026-03-12 Vansh Sharma , Shuzhi Zhang , Rahul Jain , Venkat Raman

In this contribution we develop an efficient reduced order model for solving parametrized linear-quadratic optimal control problems with linear time-varying state system. The fully reduced model combines reduced basis approximations of the…

Numerical Analysis · Mathematics 2024-08-29 Hendrik Kleikamp , Lukas Renelt

When addressing spatial biological questions using mathematical models, symmetries within the system are often exploited to simplify the problem by reducing its physical dimension. In a reduced-dimension model molecular movement is…

Quantitative Methods · Quantitative Biology 2025-02-17 Natasha S. Savage

We present a symbolic algorithmic approach that allows to compute invariant manifolds and corresponding reduced systems for differential equations modeling biological networks which comprise chemical reaction networks for cellular…

Molecular Networks · Quantitative Biology 2021-03-03 Niclas Kruff , Christoph Lüders , Ovidiu Radulescu , Thomas Sturm , Sebastian Walcher

Mode-based model-reduction is used to reduce the degrees of freedom of high dimensional systems, often by describing the system state by a linear combination of spatial modes. Transport dominated phenomena, ubiquitous in technical and…

Numerical Analysis · Mathematics 2020-02-28 Julius Reiss

We investigate the use of reduced-order modelling to run discrete element simulations at higher speeds. Taking a data-driven approach, we run many offline simulations in advance and train a model to predict the velocity field from the mass…

Computational Physics · Physics 2021-03-02 Erik Wallin , Martin Servin
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