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1. Inferring ecological interactions is hard because we often lack suitable parametric representations to portray them. Neural ordinary differential equations (NODEs) provide a way of estimating interactions nonparametrically from time…

Populations and Evolution · Quantitative Biology 2022-09-14 Willem Bonnaffé , Tim Coulson

Traditional data-driven deep learning models often struggle with high training costs, error accumulation, and poor generalizability in complex physical processes. Physics-informed deep learning (PiDL) addresses these challenges by…

Machine Learning · Computer Science 2024-01-17 Xin-Yang Liu , Min Zhu , Lu Lu , Hao Sun , Jian-Xun Wang

Neural differential equations predict the derivative of a stochastic process. This allows irregular forecasting with arbitrary time-steps. However, the expressive temporal flexibility often comes with a high sensitivity to noise. In…

Machine Learning · Computer Science 2023-02-07 Stav Belogolovsky , Ido Greenberg , Danny Eitan , Shie Mannor

We present a novel framework combining Deep Operator Networks (DeepONets) with Physics-Informed Neural Networks (PINNs) to solve partial differential equations (PDEs) and estimate their unknown parameters. By integrating data-driven…

Machine Learning · Computer Science 2025-08-05 Amogh Raj , Carol Eunice Gudumotou , Sakol Bun , Keerthana Srinivasa , Arash Sarshar

We propose a method for learning dynamical systems from high-dimensional empirical data that combines variational autoencoders and (spatio-)temporal attention within a framework designed to enforce certain scientifically-motivated…

Machine Learning · Computer Science 2023-06-22 Kai Lagemann , Christian Lagemann , Sach Mukherjee

Physics-informed neural network architectures have emerged as a powerful tool for developing flexible PDE solvers which easily assimilate data, but face challenges related to the PDE discretization underpinning them. By instead adapting a…

Numerical Analysis · Mathematics 2020-12-11 Ravi G. Patel , Indu Manickam , Nathaniel A. Trask , Mitchell A. Wood , Myoungkyu Lee , Ignacio Tomas , Eric C. Cyr

Biological signaling pathways based upon proteins binding to one another to relay a signal for genetic expression, such as the Bone Morphogenetic Protein (BMP) signaling pathway, can be modeled by mass action kinetics and conservation laws…

Quantitative Methods · Quantitative Biology 2021-11-29 Vincent Zaballa , Elliot Hui

Solving partial differential equations (PDEs) is a required step in the simulation of natural and engineering systems. The associated computational costs significantly increase when exploring various scenarios, such as changes in initial or…

In this work, we propose a general inversion framework to non-uniquely invert a very large class of ordinary differential equations (ODEs) into chemical reaction networks. A thorough treatment of the relevant chemical reaction network…

Molecular Networks · Quantitative Biology 2023-01-25 Su Hyeong Lee

Inferring parameters of macro-kinetic growth models, typically represented by Ordinary Differential Equations (ODE), from the experimental data is a crucial step in bioprocess engineering. Conventionally, estimates of the parameters are…

Machine Learning · Computer Science 2023-12-07 Maxim Borisyak , Stefan Born , Peter Neubauer , Mariano Nicolas Cruz-Bournazou

We propose a novel composite framework to find unknown fields in the context of inverse problems for partial differential equations (PDEs). We blend the high expressibility of deep neural networks as universal function estimators with the…

Numerical Analysis · Mathematics 2021-06-02 Samira Pakravan , Pouria A. Mistani , Miguel Angel Aragon-Calvo , Frederic Gibou

Data-driven models for predicting dynamic responses of linear and nonlinear systems are of great importance due to their wide application from probabilistic analysis to inverse problems such as system identification and damage diagnosis. In…

Machine Learning · Computer Science 2020-12-29 Soheil Sadeghi Eshkevari , Martin Takáč , Shamim N. Pakzad , Majid Jahani

Neural Ordinary Differential Equations model dynamical systems with ODEs learned by neural networks. However, ODEs are fundamentally inadequate to model systems with long-range dependencies or discontinuities, which are common in…

Machine Learning · Computer Science 2022-06-15 Samuel Holt , Zhaozhi Qian , Mihaela van der Schaar

Numerical simulation of ordinary differential equations (ODEs) can be challenging when the system exhibits high accelerations and rapidly changing dynamics. Under these conditions the ODE solver often needs to take very small time steps in…

Numerical Analysis · Mathematics 2026-05-11 Andrew Tagg , Andrew Frandsen , Andrew Ning

A novel way of using neural networks to learn the dynamics of time delay systems from sequential data is proposed. A neural network with trainable delays is used to approximate the right hand side of a delay differential equation. We relate…

Machine Learning · Computer Science 2022-08-29 Xunbi A. Ji , Gabor Orosz

The idea of neural Ordinary Differential Equations (ODE) is to approximate the derivative of a function (data model) instead of the function itself. In residual networks, instead of having a discrete sequence of hidden layers, the…

Computer Vision and Pattern Recognition · Computer Science 2022-09-20 Seyedalireza Khoshsirat , Chandra Kambhamettu

A significant advancement in Neural Network (NN) research is the integration of domain-specific knowledge through custom loss functions. This approach addresses a crucial challenge: how can models utilize physics or mathematical principles…

Machine Learning · Computer Science 2025-03-27 Seyedeh Azadeh Fallah Mortezanejad , Ruochen Wang , Ali Mohammad-Djafari

We investigate the use of discrete and continuous versions of physics-informed neural network methods for learning unknown dynamics or constitutive relations of a dynamical system. For the case of unknown dynamics, we represent all the…

Machine Learning · Computer Science 2019-04-11 Ramakrishna Tipireddy , Paris Perdikaris , Panos Stinis , Alexandre Tartakovsky

The intersection of machine learning and dynamical systems has generated considerable interest recently. Neural Ordinary Differential Equations (NODEs) represent a rich overlap between these fields. In this paper, we develop a continuous…

Optimization and Control · Mathematics 2023-06-16 Maria Oprea , Mark Walth , Robert Stephany , Gabriella Torres Nothaft , Arnaldo Rodriguez-Gonzalez , William Clark

Under mass-action kinetics, biochemical reaction networks give rise to polynomial autonomous dynamical systems whose parameters are often difficult to estimate. We deal in this paper with the problem of identifying the kinetic parameters of…

Molecular Networks · Quantitative Biology 2019-04-26 Gabriela Jeronimo , Mercedes Pérez Millán , Pablo Solernó