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Complex spatiotemporal dynamics of physicochemical processes are often modeled at a microscopic level (through e.g. atomistic, agent-based or lattice models) based on first principles. Some of these processes can also be successfully…

E. coli chemotactic motion in the presence of a chemoattractant field has been extensively studied using wet laboratory experiments, stochastic computational models as well as partial differential equation-based models (PDEs). The most…

Quantitative Methods · Quantitative Biology 2022-08-26 Yorgos M. Psarellis , Seungjoon Lee , Tapomoy Bhattacharjee , Sujit S. Datta , Juan M. Bello-Rivas , Ioannis G. Kevrekidis

Equations governing physico-chemical processes are usually known at microscopic spatial scales, yet one suspects that there exist equations, e.g. in the form of Partial Differential Equations (PDEs), that can explain the system evolution at…

Machine Learning · Statistics 2021-03-31 Hassan Arbabi , Ioannis Kevrekidis

A connection is established between discrete stochastic model describing microscopic motion of fluctuating cells, and macroscopic equations describing dynamics of cellular density. Cells move towards chemical gradient (process called…

Biological Physics · Physics 2010-05-18 Pavel M. Lushnikov , Nan Chen , Mark Alber

Many problems in science and engineering can be represented by a set of partial differential equations (PDEs) through mathematical modeling. Mechanism-based computation following PDEs has long been an essential paradigm for studying topics…

Machine Learning · Computer Science 2022-11-21 Shudong Huang , Wentao Feng , Chenwei Tang , Jiancheng Lv

Microstructural evolution is a key aspect of understanding and exploiting the structure-property-performance relation of materials. Modeling microstructure evolution usually relies on coarse-grained simulations with evolution principles…

Materials Science · Physics 2020-09-01 Kaiqi Yang , Yifan Cao , Youtian Zhang , Ming Tang , Daniel Aberg , Babak Sadigh , Fei Zhou

The structure of a network has a major effect on dynamical processes on that network. Many studies of the interplay between network structure and dynamics have focused on models of phenomena such as disease spread, opinion formation and…

Dynamical Systems · Mathematics 2025-10-21 Lucas Böttcher , Mason A. Porter

Simulations of complex physical systems are typically realized by discretizing partial differential equations (PDEs) on unstructured meshes. While neural networks have recently been explored for surrogate and reduced order modeling of PDE…

Machine Learning · Computer Science 2021-10-27 Jiayang Xu , Aniruddhe Pradhan , Karthik Duraisamy

In many scientific fields, the generation and evolution of data are governed by partial differential equations (PDEs) which are typically informed by established physical laws at the macroscopic level to describe general and predictable…

Methodology · Statistics 2025-07-01 Ziyuan Chen , Shunxing Yan , Fang Yao

In this paper we consider kinetic and associated macroscopic models for chemotaxis on a network. Coupling conditions at the nodes of the network for the kinetic problem are presented and used to derive coupling conditions for the…

Analysis of PDEs · Mathematics 2015-12-29 Raul Borsche , Axel Klar , Ha T. N. Pham

This article addresses reaction networks in which spatial and stochastic effects are of crucial importance. For such systems, particle-based models allow us to describe all microscopic details with high accuracy. However, they suffer from…

We propose a machine learning framework for the data-driven discovery of macroscopic chemotactic Partial Differential Equations (PDEs) -- and the closures that lead to them -- from high-fidelity, individual-based stochastic simulations of…

Quantitative Methods · Quantitative Biology 2022-05-30 Seungjoon Lee , Yorgos M. Psarellis , Constantinos I. Siettos , Ioannis G. Kevrekidis

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

It is of great biological interest to understand the molecular origins of chemotactic behavior of E. coli by developing population-level models based on the underlying signaling pathway dynamics. We derive macroscopic models for E.coli…

Analysis of PDEs · Mathematics 2016-05-06 Weiran Sun , Min Tang

Learning time-dependent partial differential equations (PDEs) that govern evolutionary observations is one of the core challenges for data-driven inference in many fields. In this work, we propose to capture the essential dynamics of…

Numerical Analysis · Mathematics 2021-09-07 Ricardo A. Delgadillo , Jingwei Hu , Haizhao Yang

Partial differential equations (PDEs) play a crucial role in studying a vast number of problems in science and engineering. Numerically solving nonlinear and/or high-dimensional PDEs is often a challenging task. Inspired by the traditional…

Numerical Analysis · Mathematics 2022-01-11 Yihao Hu , Tong Zhao , Shixin Xu , Zhiliang Xu , Lizhen Lin

As motivated by studies of cellular motility driven by spatiotemporal chemotactic gradients in microdevices, we develop a framework for constructing approximate analytical solutions for the location, speed and cellular densities for cell…

Analysis of PDEs · Mathematics 2022-11-09 Jacobo Ayensa-Jiménez , Mohamed H. Doweidar , Manuel Doblaré , Eamonn A. Gaffney

Many scientific and industrial applications require solving Partial Differential Equations (PDEs) to describe the physical phenomena of interest. Some examples can be found in the fields of aerodynamics, astrodynamics, combustion and many…

Computational Physics · Physics 2019-12-11 Juan B. Pedro , Juan Maroñas , Roberto Paredes

A wide array of biological systems can navigate in shallow gradients of chemoattractant with remarkable precision. Whilst previous approaches model such systems using coarse-grained chemical density profiles, we construct a dynamical model…

Biological Physics · Physics 2023-12-19 Jacob Knight , Paula García-Galindo , Johannes Pausch , Gunnar Pruessner

Many physical processes can be expressed through partial differential equations (PDEs). Real-world measurements of such processes are often collected at irregularly distributed points in space, which can be effectively represented as…

Machine Learning · Computer Science 2025-07-16 Jost Arndt , Utku Isil , Michael Detzel , Wojciech Samek , Jackie Ma
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