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In astrophysics, solving complex chemical reaction networks is essential but computationally demanding due to the high dimensionality and stiffness of the ODE systems. Traditional approaches for reducing computational load are often…

Astrophysics of Galaxies · Physics 2023-12-12 Immanuel Sulzer , Tobias Buck

Sessile ciliates attach to substrates and generate feeding currents to capture passing particulates and dissolved nutrients. Optimal ciliary activity that maximizes nutrient flux at the cell surface while minimizing the rate of hydrodynamic…

Fluid Dynamics · Physics 2024-12-24 Jingyi Liu , Yi Man , Eva Kanso

Microbial communities routinely have several alternative stable states observed for the same environmental parameters. Sudden and irreversible transitions between these states make external manipulation of these systems more complicated. To…

Populations and Evolution · Quantitative Biology 2018-10-12 Veronika Dubinkina , Yulia Fridman , Parth Pandey , Sergei Maslov

The construction of a reaction network containing all relevant intermediates and elementary reactions is necessary for the accurate description of chemical processes. In the case of a complex chemical reaction (involving, for instance, many…

Chemical Physics · Physics 2017-12-19 Gregor N. Simm , Markus Reiher

Ordinary Differential Equations are widespread tools to model chemical, physical, biological process but they usually rely on parameters which are of critical importance in terms of dynamic and need to be estimated directly from the data.…

Methodology · Statistics 2014-10-29 Nicolas Brunel , Quentin Clairon

Many physical processes such as weather phenomena or fluid mechanics are governed by partial differential equations (PDEs). Modelling such dynamical systems using Neural Networks is an active research field. However, current methods are…

Machine Learning · Computer Science 2022-10-12 Andrzej Dulny , Andreas Hotho , Anna Krause

We propose a new approach to learning the subgrid-scale model when simulating partial differential equations (PDEs) solved by the method of lines and their representation in chaotic ordinary differential equations, based on neural ordinary…

Numerical Analysis · Mathematics 2023-04-14 Shinhoo Kang , Emil M. Constantinescu

Dynamic power system models are instrumental in real-time stability, monitoring, and control. Such models are traditionally posed as systems of nonlinear differential algebraic equations (DAEs): the dynamical part models generator…

Systems and Control · Electrical Eng. & Systems 2024-02-02 Mohamad H. Kazma , Ahmad F. Taha

This work concerns the exponential stabilization of underactuated linear homogeneous systems of m parabolic partial differential equations (PDEs) in cascade (reaction-diffusion systems), where only the first state is controlled either…

Optimization and Control · Mathematics 2023-10-19 Constantinos Kitsos , Emilia Fridman

Species transport models typically combine partial differential equations (PDEs) with relations from hindered transport theory to quantify electromigrative, convective, and diffusive transport through complex nanoporous systems; however,…

Machine Learning · Computer Science 2023-12-06 Danyal Rehman , John H. Lienhard

Multidimensional systems coupled via complex networks are widespread in nature and thus frequently invoked for a large plethora of interesting applications. From ecology to physics, individual entities in mutual interactions are grouped in…

Physics and Society · Physics 2018-11-21 Giulia Cencetti , Franco Bagnoli , Giorgio Battistelli , Luigi Chisci , Duccio Fanelli

In this paper, we establish a reaction-diffusion-advection partial differential equation model to describe the growth of algae depending on both nutrients and inorganic carbon in a poorly mixed water column. Nutrients from the water bottom…

Populations and Evolution · Quantitative Biology 2020-02-10 Jimin Zhang , Junping Shi , Xiaoyuan Chang

Numerous aqueous systems host elements in multiple redox states, with wide ranging implications such as their influence on the formation/dissolution of minerals, water toxicity, and nutrient cycling. To uncover governing mechanisms and…

Materials Science · Physics 2025-01-22 Shishir Mundra , Mohit Pundir , Barbara Lothenbach , David S. Kammer , Ueli M. Angst

Multistationary chemical reaction networks are of interest to scientists and mathematicians alike. While some criteria for multistationarity exist, obtaining explicit reaction rates and steady states that exhibit multistationarity for a…

Dynamical Systems · Mathematics 2016-04-22 Bryan Félix , Anne Shiu , Zev Woodstock

Elucidating reaction mechanisms hinges on efficiently generating transition states (TSs), products, and complete reaction networks. Recent generative models, such as diffusion models for TS sampling and sequence-based architectures for…

Chemical Physics · Physics 2025-11-06 Ping Tuo , Jiale Chen , Ju Li

A reaction network is a chemical system involving multiple reactions and chemical species. Stochastic models of such networks treat the system as a continuous time Markov chain on the number of molecules of each species with reactions as…

Probability · Mathematics 2007-05-23 Karen Ball , Thomas G. Kurtz , Lea Popovic , Greg Rempala

Recent advances in solving ordinary differential equations (ODEs) with neural networks have been remarkable. Neural networks excel at serving as trial functions and approximating solutions within functional spaces, aided by gradient…

Machine Learning · Computer Science 2024-02-01 Chenxin Qin , Ruhao Liu , Maocai Li , Shengyuan Li , Yi Liu , Chichun Zhou

Computing equilibrium concentrations of molecular complexes is generally analytically intractable and requires numerical approaches. In this work we focus on the polymer-monomer level, where indivisible molecules (monomers) combine to form…

Data Structures and Algorithms · Computer Science 2025-08-25 Hamidreza Akef , Minki Hhan , David Soloveichik

We study nucleation dynamics of Ising model in a topology that consists of two coupled random networks, thereby mimicking the modular structure observed in real-world networks. By introducing a variant of a recently developed forward flux…

Statistical Mechanics · Physics 2015-05-27 Hanshuang Chen , Zhonghuai Hou

We develop a backstepping-based observer design for a class of ODE - continuum-PDE cascade systems, which can be viewed as the limit, of a finite collection of ODE - $2 \times 2$ hyperbolic systems, as the number of individual PDE system…

Optimization and Control · Mathematics 2026-05-12 Jukka-Pekka Humaloja , Nikolaos Bekiaris-Liberis