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Dynamical systems modeling, particularly via systems of ordinary differential equations, has been used to effectively capture the temporal behavior of different biochemical components in signal transduction networks. Despite the recent…

Quantitative Methods · Quantitative Biology 2023-01-06 Nathaniel J. Linden , Boris Kramer , Padmini Rangamani

Machine learning for scientific applications faces the challenge of limited data. We propose a framework that leverages a priori known physics to reduce overfitting when training on relatively small datasets. A deep neural network is…

Machine Learning · Computer Science 2019-11-22 Jonathan B. Freund , Jonathan F. MacArt , Justin Sirignano

Data-driven discovery of dynamics in biological systems allows for better observation and characterization of processes, such as calcium signaling in cell culture. Recent advancements in techniques allow the exploration of previously…

Quantitative Methods · Quantitative Biology 2025-05-28 Aurora Poggi , Giuseppe Alessio D'Inverno , Hjalmar Brismar , Ozan Öktem , Matthieu Barreau , Kateryna Morozovska

We propose a two-stage method called \textit{Spline Assisted Partial Differential Equation based Model Identification (SAPDEMI)} to identify partial differential equation (PDE)-based models from noisy data. In the first stage, we employ the…

Methodology · Statistics 2025-09-17 Yujie Zhao , Xiaoming Huo , Yajun Mei

The viscosity and self-diffusion constant of particle-based mesoscale hydrodynamic methods, multi-particle collision dynamics (MPC) and dissipative particle dynamics (DPD), are investigated, both with and without angular-momentum…

Soft Condensed Matter · Physics 2009-11-13 Hiroshi Noguchi , Gerhard Gompper

Causal discovery algorithms based on probabilistic graphical models have emerged in geoscience applications for the identification and visualization of dynamical processes. The key idea is to learn the structure of a graphical model from…

Machine Learning · Computer Science 2015-12-29 Imme Ebert-Uphoff , Yi Deng

Parameter estimation for non-stationary stochastic differential equations (SDE) with an arbitrary nonlinear drift, and nonlinear diffusion is accomplished in combination with a non-parametric clustering methodology. Such a model-based…

Optimization and Control · Mathematics 2021-09-07 Vyacheslav Boyko , Sebastian Krumscheid , Nikki Vercauteren

Probability Density Estimation (PDE) is a multivariate discrimination technique based on sampling signal and background densities defined by event samples from data or Monte-Carlo (MC) simulations in a multi-dimensional phase space. In this…

Data Analysis, Statistics and Probability · Physics 2009-07-22 Dominik Dannheim , Tancredi Carli , Karl-Johan Grahn , Peter Speckmayer , Alexander Voigt

Calcium is an ubiquitous second messenger that triggers a plethora of key physiological responses. The events are initiated in micro- or nano-sized compartments and determined by the complex interactions with calcium-binding proteins and…

Subcellular Processes · Quantitative Biology 2013-05-01 S. L. Mironov

We consider adaptive finite element methods for solving a multiscale system consisting of a macroscale model comprising a system of reaction-diffusion partial differential equations coupled to a microscale model comprising a system of…

Numerical Analysis · Mathematics 2015-06-22 A. Johansson , J. H. Chaudry , V. Carey , D. Estep , V. Ginting , M. Larson , S. Tavener

Partial differential equations (PDEs) are widely used for the description of physical and engineering phenomena. Some key parameters involved in PDEs, which represent certain physical properties with important scientific interpretations,…

Numerical Analysis · Mathematics 2024-02-02 Zhaohui Li , Shihao Yang , Jeff Wu

Spatially dependent parameters of a two-component chaotic reaction-diffusion PDE model describing ocean ecology are observed by sampling a single species. We estimate model parameters and the other species in the system by…

Dynamical Systems · Mathematics 2017-04-05 Sean Kramer , Erik M. Bollt

The inclusion of cognitive processes, such as perception, learning and memory, are inevitable in mechanistic animal movement modelling. Cognition is the unique feature that distinguishes animal movement from mere particle movement in…

Analysis of PDEs · Mathematics 2023-03-21 Hao Wang , Yurij Salmaniw

Recent advances in deep learning have inspired numerous works on data-driven solutions to partial differential equation (PDE) problems. These neural PDE solvers can often be much faster than their numerical counterparts; however, each…

Machine Learning · Computer Science 2025-02-06 Anthony Zhou , Zijie Li , Michael Schneier , John R Buchanan , Amir Barati Farimani

Transport-dominated partial differential equation models have been used extensively over the past two decades to describe various collective migration phenomena in cell biology and ecology. To understand the behaviour of these models (and…

Numerical Analysis · Mathematics 2025-05-05 Johan Marguet , Raluca Eftimie , Alexei Lozinski

This paper presents a novel data-driven approach to identify partial differential equation (PDE) parameters of a dynamical system. Specifically, we adopt a mathematical "transport" model for the solution of the dynamical system at specific…

Computation of biological processes creates great promise for everyday life and great challenges for physical scientists. Simulations of molecular dynamics appeal to biologists as a natural extension of structural biology. Once biologists…

Biomolecules · Quantitative Biology 2019-03-05 Bob Eisenberg

There have been recent efforts that combine seemingly disparate methods, extremum seeking (ES) optimization and partial differential equation (PDE) backstepping, to address the problem of model-free optimization with PDE actuator dynamics.…

Optimization and Control · Mathematics 2024-03-26 Cemal Tugrul Yilmaz , Mamadou Diagne , Miroslav Krstic

Scientific machine learning has been successfully applied to inverse problems and PDE discovery in computational physics. One caveat concerning current methods is the need for large amounts of ("clean") data, in order to characterize the…

Numerical Analysis · Mathematics 2021-11-30 Christophe Bonneville , Christopher J. Earls

Open biochemical systems of interacting molecules are ubiquitous in life-related processes. However, established computational methodologies, like molecular dynamics, are still mostly constrained to closed systems and timescales too small…

Quantitative Methods · Quantitative Biology 2025-10-15 Margarita Kostré , Christof Schütte , Frank Noé , Mauricio J. del Razo
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