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Data-driven modeling of constrained multibody dynamics remains challenged by (i) the training cost of Neural ODEs, which typically require backpropagation through an ODE solver, and (ii) error accumulation in rollout predictions. We…

Machine Learning · Computer Science 2026-03-23 Hongyu Wang , Jingquan Wang , Dan Negrut

We introduce a novel neural architecture termed thermoNET, designed to represent thermospheric density in satellite orbital propagation using a reduced amount of differentiable computations. Due to the appearance of a neural network on the…

Earth and Planetary Astrophysics · Physics 2024-05-31 Dario Izzo , Giacomo Acciarini , Francesco Biscani

Model reduction for fluid flow simulation continues to be of great interest across a number of scientific and engineering fields. In a previous work [arXiv:2104.13962], we explored the use of Neural Ordinary Differential Equations (NODE) as…

Machine Learning · Computer Science 2021-07-07 Sourav Dutta , Peter Rivera-Casillas , Orie M. Cecil , Matthew W. Farthing , Emma Perracchione , Mario Putti

Learning from data has led to paradigm shifts in a multitude of disciplines, including web, text, and image search, speech recognition, as well as bioinformatics. Can machine learning enable similar breakthroughs in understanding quantum…

Neural Ordinary Differential Equations (Neural ODEs) construct the continuous dynamics of hidden units using ordinary differential equations specified by a neural network, demonstrating promising results on many tasks. However, Neural ODEs…

Computer Vision and Pattern Recognition · Computer Science 2024-01-11 Haoyu Chu , Shikui Wei , Qiming Lu , Yao Zhao

Ordinary and partial differential equations (ODEs/PDEs) play a paramount role in analyzing and simulating complex dynamic processes across all corners of science and engineering. In recent years machine learning tools are aspiring to…

Machine Learning · Computer Science 2021-06-11 Sifan Wang , Paris Perdikaris

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

Simulating and predicting dynamics of quantum many-body systems is extremely challenging, even for state-of-the-art computational methods, due to the spread of entanglement across the system. However, in the long-wavelength limit, quantum…

Photo-induced processes are fundamental in nature, but accurate simulations are seriously limited by the cost of the underlying quantum chemical calculations, hampering their application for long time scales. Here we introduce a method…

The emergence of machine learning methods in quantum chemistry provides new methods to revisit an old problem: Can the predictive accuracy of electronic structure calculations be decoupled from their numerical bottlenecks? Previous attempts…

Computational Physics · Physics 2020-08-26 M. Gastegger , A. McSloy , M. Luya , K. T. Schütt , R. J. Maurer

Spectral methods are an important part of scientific computing's arsenal for solving partial differential equations (PDEs). However, their applicability and effectiveness depend crucially on the choice of basis functions used to expand the…

Numerical Analysis · Mathematics 2021-11-10 Brek Meuris , Saad Qadeer , Panos Stinis

By interpreting the forward dynamics of the latent representation of neural networks as an ordinary differential equation, Neural Ordinary Differential Equation (Neural ODE) emerged as an effective framework for modeling a system dynamics…

Machine Learning · Computer Science 2020-10-19 Daehoon Gwak , Gyuhyeon Sim , Michael Poli , Stefano Massaroli , Jaegul Choo , Edward Choi

Increasing the layer number of on-chip photonic neural networks (PNNs) is essential to improve its model performance. However, the successively cascading of network hidden layers results in larger integrated photonic chip areas. To address…

Machine Learning · Computer Science 2023-02-08 Yun Zhao , Hang Chen , Min Lin , Haiou Zhang , Tao Yan , Xing Lin , Ruqi Huang , Qionghai Dai

Neural ordinary differential equations (NODEs), one of the most influential works of the differential equation-based deep learning, are to continuously generalize residual networks and opened a new field. They are currently utilized for…

Machine Learning · Computer Science 2023-12-19 Woojin Cho , Seunghyeon Cho , Hyundong Jin , Jinsung Jeon , Kookjin Lee , Sanghyun Hong , Dongeun Lee , Jonghyun Choi , Noseong Park

Differential equations are frequently used in engineering domains, such as modeling and control of industrial systems, where safety and performance guarantees are of paramount importance. Traditional physics-based modeling approaches…

Systems and Control · Electrical Eng. & Systems 2020-11-30 Aaron Tuor , Jan Drgona , Draguna Vrabie

We utilize neural operators to learn the solution propagator for the challenging chemical kinetics equation. Specifically, we apply the deep operator network (DeepONet) along with its extensions, such as the autoencoder-based DeepONet and…

Chemical Physics · Physics 2023-02-27 Somdatta Goswami , Ameya D. Jagtap , Hessam Babaee , Bryan T. Susi , George Em Karniadakis

Coupled partial differential equations (PDEs) are key tasks in modeling the complex dynamics of many physical processes. Recently, neural operators have shown the ability to solve PDEs by learning the integral kernel directly in…

Machine Learning · Computer Science 2025-01-27 Xiongye Xiao , Defu Cao , Ruochen Yang , Gaurav Gupta , Gengshuo Liu , Chenzhong Yin , Radu Balan , Paul Bogdan

The advent of deep learning has yielded powerful tools to automatically compute gradients of computations. This is because training a neural network equates to iteratively updating its parameters using gradient descent to find the minimum…

Data Analysis, Statistics and Probability · Physics 2023-03-01 Nathan Simpson , Lukas Heinrich

Obtaining dynamics models is essential for robotics to achieve accurate model-based controllers and simulators for planning. The dynamics models are typically obtained using model specification of the manufacturer or simple numerical…

Robotics · Computer Science 2021-10-26 Michael Lutter , Johannes Silberbauer , Joe Watson , Jan Peters

Solving Singularly Perturbed Differential Equations (SPDEs) poses computational challenges arising from the rapid transitions in their solutions within thin regions. The effectiveness of deep learning in addressing differential equations…

Machine Learning · Computer Science 2024-09-10 Ye Li , Ting Du , Yiwen Pang , Zhongyi Huang