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The core objective of machine-assisted scientific discovery is to learn physical laws from experimental data without prior knowledge of the systems in question. In the area of quantum physics, making progress towards these goals is…

Quantum Physics · Physics 2023-01-09 Matthew Choi , Daniel Flam-Shepherd , Thi Ha Kyaw , Alán Aspuru-Guzik

A long-standing problem at the interface of artificial intelligence and applied mathematics is to devise an algorithm capable of achieving human level or even superhuman proficiency in transforming observed data into predictive mathematical…

Machine Learning · Statistics 2018-01-23 Maziar Raissi

Training deep neural networks (DNNs) can be difficult due to the occurrence of vanishing/exploding gradients during weight optimization. To avoid this problem, we propose a class of DNNs stemming from the time discretization of Hamiltonian…

Machine Learning · Computer Science 2021-04-28 Clara L. Galimberti , Liang Xu , Giancarlo Ferrari Trecate

Learning continuous-time dynamics on complex networks is crucial for understanding, predicting and controlling complex systems in science and engineering. However, this task is very challenging due to the combinatorial complexities in the…

Social and Information Networks · Computer Science 2020-06-19 Chengxi Zang , Fei Wang

Deep neural networks (DNN) have been used to model nonlinear relations between physical quantities. Those DNNs are embedded in physical systems described by partial differential equations (PDE) and trained by minimizing a loss function that…

Numerical Analysis · Mathematics 2020-02-26 Kailai Xu , Eric Darve

Many physical processes such as weather phenomena or fluid mechanics are governed by partial differential equations (PDEs). Modelling such dynamical systems using Neural Networks is an active research field. However, current methods are…

Machine Learning · Computer Science 2022-10-12 Andrzej Dulny , Andreas Hotho , Anna Krause

We introduce a novel grid-independent model for learning partial differential equations (PDEs) from noisy and partial observations on irregular spatiotemporal grids. We propose a space-time continuous latent neural PDE model with an…

Machine Learning · Computer Science 2023-10-27 Valerii Iakovlev , Markus Heinonen , Harri Lähdesmäki

Accurately finding and predicting dynamics based on the observational data with noise perturbations is of paramount significance but still a major challenge presently. Here, for the Hamiltonian mechanics, we propose the Hamiltonian Neural…

Mathematical Physics · Physics 2024-06-05 Jingdong Zhang , Qunxi Zhu , Wei Lin

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

We introduce a robust framework for learning various generalized Hamiltonian dynamics from noisy, sparse phase-space data and in an unsupervised manner based on variational Bayesian inference. Although conservative, dissipative, and…

Machine Learning · Computer Science 2025-09-10 Luke McLennan , Yi Wang , Ryan Farell , Minh Nguyen , Chandrajit Bajaj

Many dynamical systems -- from robots interacting with their surroundings to large-scale multiphysics systems -- involve a number of interacting subsystems. Toward the objective of learning composite models of such systems from data, we…

Machine Learning · Computer Science 2023-05-16 Cyrus Neary , Ufuk Topcu

Neural networks have recently been used to analyze diverse physical systems and to identify the underlying dynamics. While existing methods achieve impressive results, they are limited by their strong demand for training data and their weak…

Computer Vision and Pattern Recognition · Computer Science 2024-04-03 Florian Hofherr , Lukas Koestler , Florian Bernard , Daniel Cremers

The neural ordinary differential equation (ODE) framework has emerged as a powerful tool for developing accelerated surrogate models of complex physical systems governed by partial differential equations (PDEs). A popular approach for PDE…

Fluid Dynamics · Physics 2025-03-26 Ashish S. Nair , Shivam Barwey , Pinaki Pal , Jonathan F. MacArt , Troy Arcomano , Romit Maulik

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

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

Since the advent of the ``Neural Ordinary Differential Equation (Neural ODE)'' paper, learning ODEs with deep learning has been applied to system identification, time-series forecasting, and related areas. Exploiting the diffeomorphic…

Machine Learning · Statistics 2025-08-27 Yuji Okamoto , Tomoya Takeuchi , Yusuke Sakemi

Neural ODEs (NODEs) have emerged as powerful tools for modeling time series data, offering the flexibility to adapt to varying input scales and capture complex dynamics. However, they face significant challenges: first, their reliance on…

Machine Learning · Computer Science 2025-10-07 Muhao Guo , Yang Weng

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

Neural Ordinary Differential Equations (NeuralODEs) present an attractive way to extract dynamical laws from time series data, as they bridge neural networks with the differential equation-based modeling paradigm of the physical sciences.…

Machine Learning · Computer Science 2024-01-24 Joon-Hyuk Ko , Hankyul Koh , Nojun Park , Wonho Jhe

We present a numerical framework for deep neural network (DNN) modeling of unknown time-dependent partial differential equations (PDE) using their trajectory data. Unlike the recent work of [Wu and Xiu, J. Comput. Phys. 2020], where the…

Machine Learning · Computer Science 2021-11-24 Zhen Chen , Victor Churchill , Kailiang Wu , Dongbin Xiu
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