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Differential equations are a ubiquitous tool to study dynamics, ranging from physical systems to complex systems, where a large number of agents interact through a graph with non-trivial topological features. Data-driven approximations of…

Statistical Mechanics · Physics 2024-04-26 Vaiva Vasiliauskaite , Nino Antulov-Fantulin

We proposed a framework for solving inverse problems in differential equations based on neural networks and automatic differentiation. Neural networks are used to approximate hidden fields. We analyze the source of errors in the framework…

Numerical Analysis · Mathematics 2024-12-20 Kailai Xu , Eric Darve

The accessibility of spatially distributed data, enabled by affordable sensors, field, and numerical experiments, has facilitated the development of data-driven solutions for scientific problems, including climate change, weather…

Machine Learning · Computer Science 2023-11-09 Vardhan Dongre , Gurpreet Singh Hora

Neural ordinary differential equations (NODE) have been recently proposed as a promising approach for nonlinear system identification tasks. In this work, we systematically compare their predictive performance with current state-of-the-art…

Machine Learning · Computer Science 2022-03-16 Aowabin Rahman , Ján Drgoňa , Aaron Tuor , Jan Strube

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin.…

Machine Learning · Computer Science 2022-02-08 Patrick Kidger

Continuous deep learning models, referred to as Neural Ordinary Differential Equations (Neural ODEs), have received considerable attention over the last several years. Despite their burgeoning impact, there is a lack of formal analysis…

Machine Learning · Computer Science 2022-07-15 Diego Manzanas Lopez , Patrick Musau , Nathaniel Hamilton , Taylor T. Johnson

Deep neural networks (NNs) are powerful black box predictors that have recently achieved impressive performance on a wide spectrum of tasks. Quantifying predictive uncertainty in NNs is a challenging and yet unsolved problem. Bayesian NNs,…

Machine Learning · Statistics 2017-11-07 Balaji Lakshminarayanan , Alexander Pritzel , Charles Blundell

Neural Ordinary Differential Equations (N-ODEs) are a powerful building block for learning systems, which extend residual networks to a continuous-time dynamical system. We propose a Bayesian version of N-ODEs that enables well-calibrated…

Machine Learning · Computer Science 2020-02-19 Andreas Look , Melih Kandemir

There have been extensive studies on solving differential equations using physics-informed neural networks. While this method has proven advantageous in many cases, a major criticism lies in its lack of analytical error bounds. Therefore,…

Neural and Evolutionary Computing · Computer Science 2022-07-05 Shuheng Liu , Xiyue Huang , Pavlos Protopapas

Learning dynamics governed by differential equations is crucial for predicting and controlling the systems in science and engineering. Neural Ordinary Differential Equation (NODE), a deep learning model integrated with differential…

Machine Learning · Computer Science 2021-11-09 Shiqi Gong , Qi Meng , Yue Wang , Lijun Wu , Wei Chen , Zhi-Ming Ma , Tie-Yan Liu

Neural networks are one tool for approximating non-linear differential equations used in scientific computing tasks such as surrogate modeling, real-time predictions, and optimal control. PDE foundation models utilize neural networks to…

Machine Learning · Computer Science 2025-02-11 Elisa Negrini , Yuxuan Liu , Liu Yang , Stanley J. Osher , Hayden Schaeffer

Neural network (NN) interatomic potentials provide fast prediction of potential energy surfaces, closely matching the accuracy of the electronic structure methods used to produce the training data. However, NN predictions are only reliable…

Machine Learning · Computer Science 2021-08-31 Daniel Schwalbe-Koda , Aik Rui Tan , Rafael Gómez-Bombarelli

Neural networks (NNs) are currently changing the computational paradigm on how to combine data with mathematical laws in physics and engineering in a profound way, tackling challenging inverse and ill-posed problems not solvable with…

Machine Learning · Computer Science 2023-02-08 Apostolos F Psaros , Xuhui Meng , Zongren Zou , Ling Guo , George Em Karniadakis

We introduce a practical method to enforce partial differential equation (PDE) constraints for functions defined by neural networks (NNs), with a high degree of accuracy and up to a desired tolerance. We develop a differentiable…

Machine Learning · Computer Science 2023-04-19 Geoffrey Négiar , Michael W. Mahoney , Aditi S. Krishnapriyan

This paper investigates the use of artificial neural networks (ANNs) to solve differential equations (DEs) and the construction of the loss function which meets both differential equation and its initial/boundary condition of a certain DE.…

Machine Learning · Computer Science 2023-01-03 Xiao Xiong

A conventional approach to train neural ordinary differential equations (ODEs) is to fix an ODE solver and then learn the neural network's weights to optimize a target loss function. However, such an approach is tailored for a specific…

Machine Learning · Computer Science 2021-03-16 Julia Gusak , Alexandr Katrutsa , Talgat Daulbaev , Andrzej Cichocki , Ivan Oseledets

A key appeal of the recently proposed Neural Ordinary Differential Equation (ODE) framework is that it seems to provide a continuous-time extension of discrete residual neural networks. As we show herein, though, trained Neural ODE models…

Machine Learning · Computer Science 2023-09-12 Katharina Ott , Prateek Katiyar , Philipp Hennig , Michael Tiemann

We present new algorithms for a posteriori verification of neural networks (NNs) approximating solutions to PDEs. These verification algorithms compute accurate estimates of $L^p$ norms of NNs and their derivatives. When combined with…

Numerical Analysis · Mathematics 2025-10-01 Emil Haugen , Alexei Stepanenko , Anders C. Hansen

Deep learning has become a pivotal technology in fields such as computer vision, scientific computing, and dynamical systems, significantly advancing these disciplines. However, neural Networks persistently face challenges related to…

Machine Learning · Computer Science 2025-10-14 Yongshuai Liu , Lianfang Wang , Kuilin Qin , Qinghua Zhang , Faqiang Wang , Li Cui , Jun Liu , Yuping Duan , Tieyong Zeng

We introduce a new family of deep neural network models. Instead of specifying a discrete sequence of hidden layers, we parameterize the derivative of the hidden state using a neural network. The output of the network is computed using a…

Machine Learning · Computer Science 2019-12-17 Ricky T. Q. Chen , Yulia Rubanova , Jesse Bettencourt , David Duvenaud