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We propose a novel second-order optimization framework for training the emerging deep continuous-time models, specifically the Neural Ordinary Differential Equations (Neural ODEs). Since their training already involves expensive gradient…

Machine Learning · Computer Science 2021-11-09 Guan-Horng Liu , Tianrong Chen , Evangelos A. Theodorou

Partial differential equations (PDEs) are ubiquitous in the world around us, modelling phenomena from heat and sound to quantum systems. Recent advances in deep learning have resulted in the development of powerful neural solvers; however,…

Artificial Intelligence · Computer Science 2023-11-13 Yolanne Yi Ran Lee

Across scientific domains, a fundamental challenge is to characterize and compute the mappings from underlying physical processes to observed signals and measurements. While nonlinear neural networks have achieved considerable success, they…

Machine Learning · Computer Science 2025-08-11 Alexander DeLise , Kyle Loh , Krish Patel , Meredith Teague , Andrea Arnold , Matthias Chung

Accurate approximation of scalar-valued functions from sample points is a key task in computational science. Recently, machine learning with Deep Neural Networks (DNNs) has emerged as a promising tool for scientific computing, with…

Machine Learning · Computer Science 2021-03-08 Ben Adcock , Simone Brugiapaglia , Nick Dexter , Sebastian Moraga

Neural networks have become a prominent approach to solve inverse problems in recent years. Amongst the different existing methods, the Deep Image/Inverse Priors (DIPs) technique is an unsupervised approach that optimizes a highly…

Machine Learning · Computer Science 2023-03-21 Nathan Buskulic , Yvain Quéau , Jalal Fadili

Neural networks (NNs) can achieved high performance in various fields such as computer vision, and natural language processing. However, deploying NNs in resource-constrained safety-critical systems has challenges due to uncertainty in the…

Machine Learning · Computer Science 2024-01-17 Soyed Tuhin Ahmed

Neural Ordinary Differential Equations (NODEs) have proven to be a powerful modeling tool for approximating (interpolation) and forecasting (extrapolation) irregularly sampled time series data. However, their performance degrades…

Machine Learning · Computer Science 2020-04-29 Hammad A. Ayyubi , Yi Yao , Ajay Divakaran

Finding model parameters from data is an essential task in science and engineering, from weather and climate forecasts to plasma control. Previous works have employed neural networks to greatly accelerate finding solutions to inverse…

Machine Learning · Computer Science 2024-08-16 Philipp Holl , Nils Thuerey

Hybrid neural ordinary differential equations (neural ODEs) integrate mechanistic models with neural ODEs, offering strong inductive bias and flexibility, and are particularly advantageous in data-scarce healthcare settings. However,…

Machine Learning · Computer Science 2026-03-04 Bob Junyi Zou , Lu Tian

Since deep neural networks were developed, they have made huge contributions to everyday lives. Machine learning provides more rational advice than humans are capable of in almost every aspect of daily life. However, despite this…

Machine Learning · Computer Science 2020-03-13 Tong Yu , Hong Zhu

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

Solving high dimensional partial differential equations (PDEs) has historically posed a considerable challenge when utilizing conventional numerical methods, such as those involving domain meshes. Recent advancements in the field have seen…

Numerical Analysis · Mathematics 2024-02-05 Xiaokai Huo , Hailiang Liu

The classical development of neural networks has primarily focused on learning mappings between finite-dimensional Euclidean spaces. Recently, this has been generalized to neural operators that learn mappings between function spaces. For…

Ordinary Differential Equations (ODEs) are widely used in physics, chemistry, and biology to model dynamic systems, including reaction kinetics, population dynamics, and biological processes. In this work, we integrate GPU-accelerated ODE…

Machine Learning · Computer Science 2024-12-02 Rakshit Kr. Singh , Aaron Rock Menezes , Rida Irfan , Bharath Ramsundar

Neural surrogate solvers of partial differential equations (PDEs) promise dramatic speedups over numerical methods, especially in scenarios requiring many solves. However, current accuracy-based evaluations do not fully consider two central…

Machine Learning · Computer Science 2026-05-18 Yijing Zhang , Nicholas Roberts , Tanya Marwah , Mikhail Khodak

This paper introduces a new Convolutional Neural Network (ConvNet) architecture inspired by a class of partial differential equations (PDEs) called quasi-linear hyperbolic systems. With comparable performance on the image classification…

Computer Vision and Pattern Recognition · Computer Science 2024-05-21 Yao Liu , Hang Shao , Bing Bai

Deep neural networks (DNNs) have become ubiquitous thanks to their remarkable ability to model complex patterns across various domains such as computer vision, speech recognition, robotics, etc. While large DNN models are often more…

Machine Learning · Computer Science 2025-11-18 Omkar Shende , Gayathri Ananthanarayanan , Marcello Traiola

Recently, machine learning methods have gained significant traction in scientific computing, particularly for solving Partial Differential Equations (PDEs). However, methods based on deep neural networks (DNNs) often lack convergence…

Artificial Intelligence · Computer Science 2025-06-16 Li Liu , Heng Yong

We propose Characteristic-Neural Ordinary Differential Equations (C-NODEs), a framework for extending Neural Ordinary Differential Equations (NODEs) beyond ODEs. While NODEs model the evolution of a latent variables as the solution to an…

Machine Learning · Computer Science 2022-11-10 Xingzi Xu , Ali Hasan , Khalil Elkhalil , Jie Ding , Vahid Tarokh

Deep neural networks are an attractive alternative for simulating complex dynamical systems, as in comparison to traditional scientific computing methods, they offer reduced computational costs during inference and can be trained directly…

Machine Learning · Computer Science 2024-05-01 Katarzyna Michałowska , Somdatta Goswami , George Em Karniadakis , Signe Riemer-Sørensen