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We propose a novel machine learning framework for solving optimization problems governed by large-scale partial differential equations (PDEs) with high-dimensional random parameters. Such optimization under uncertainty (OUU) problems may be…

Optimization and Control · Mathematics 2023-06-01 Dingcheng Luo , Thomas O'Leary-Roseberry , Peng Chen , Omar Ghattas

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

The joint prediction of continuous fields and statistical estimation of the underlying discrete parameters is a common problem for many physical systems, governed by PDEs. Hitherto, it has been separately addressed by employing operator…

Machine Learning · Computer Science 2024-11-06 Levi E. Lingsch , Dana Grund , Siddhartha Mishra , Georgios Kissas

Molecular representation learning lays the foundation for drug discovery. However, existing methods suffer from poor out-of-distribution (OOD) generalization, particularly when data for training and testing originate from different…

Machine Learning · Computer Science 2023-10-24 Xiang Zhuang , Qiang Zhang , Keyan Ding , Yatao Bian , Xiao Wang , Jingsong Lv , Hongyang Chen , Huajun Chen

Trajectory prediction for traffic agents is critical for safe autonomous driving. However, achieving effective zero-shot generalization in previously unseen domains remains a significant challenge. Motivated by the consistent nature of…

Artificial Intelligence · Computer Science 2026-02-17 Zhenyu Zong , Yuchen Wang , Haohong Lin , Lu Gan , Huajie Shao

Learning and solving governing equations of a physical system, represented by partial differential equations (PDEs), from data is a central challenge in a variety of areas of science and engineering. Traditional numerical methods for…

Machine Learning · Computer Science 2024-06-10 Anran Jiao , Haiyang He , Rishikesh Ranade , Jay Pathak , Lu Lu

In multi-body dynamics, the motion of a complicated physical object is described as a coupled ordinary differential equation system with multiple unknown solutions. Engineers need to constantly adjust the object to meet requirements at the…

Computational Engineering, Finance, and Science · Computer Science 2022-05-26 Wenhao Ding , Qing He , Hanghang Tong , Ping Wang

We develop an unsupervised machine learning algorithm for the automated discovery and identification of traveling waves in spatio-temporal systems governed by partial differential equations (PDEs). Our method uses sparse regression and…

Computational Physics · Physics 2020-05-20 Ariana Mendible , Steven L. Brunton , Aleksandr Y. Aravkin , Wes Lowrie , J. Nathan Kutz

Learning representations of underlying environmental dynamics from partial observations is a critical challenge in machine learning. In the context of Partially Observable Markov Decision Processes (POMDPs), state representations are often…

Machine Learning · Computer Science 2024-11-13 Chao Han , Debabrota Basu , Michael Mangan , Eleni Vasilaki , Aditya Gilra

Multiscale stochastic dynamical systems have been widely adopted to a variety of scientific and engineering problems due to their capability of depicting complex phenomena in many real world applications. This work is devoted to…

Machine Learning · Statistics 2024-01-02 Lingyu Feng , Ting Gao , Min Dai , Jinqiao Duan

Deep neural operators are recognized as an effective tool for learning solution operators of complex partial differential equations (PDEs). As compared to laborious analytical and computational tools, a single neural operator can predict…

Machine Learning · Statistics 2023-02-14 Navaneeth N , Tapas Tripura , Souvik Chakraborty

Physics-informed deep learning has been developed as a novel paradigm for learning physical dynamics recently. While general physics-informed deep learning methods have shown early promise in learning fluid dynamics, they are difficult to…

Fluid Dynamics · Physics 2024-06-07 Jing Qiu , Jiancheng Huang , Xiangdong Zhang , Zeng Lin , Minglei Pan , Zengding Liu , Fen Miao

Many engineering problems involve learning hidden dynamics from indirect observations, where the physical processes are described by systems of partial differential equations (PDE). Gradient-based optimization methods are considered…

Numerical Analysis · Mathematics 2019-12-17 Kailai Xu , Dongzhuo Li , Eric Darve , Jerry M. Harris

We propose a new method for spatio-temporal forecasting on arbitrarily distributed points. Assuming that the observed system follows an unknown partial differential equation, we derive a continuous-time model for the dynamics of the data…

Machine Learning · Computer Science 2022-03-18 Marten Lienen , Stephan Günnemann

Physics-informed Machine Learning has recently become attractive for learning physical parameters and features from simulation and observation data. However, most existing methods do not ensure that the physics, such as balance laws (e.g.,…

Numerical Analysis · Mathematics 2021-09-10 Satish Karra , Bulbul Ahmmed , Maruti K. Mudunuru

When learning dynamical systems from data, embedding physical structure can constrain the solution space and improve generalization, but many physics-informed models assume access to the full system state. This limits their use in partially…

Machine Learning · Computer Science 2026-05-25 Sunniva Meltzer , Sølve Eidnes , Alexander Johannes Stasik

This work is concerned with discovering the governing partial differential equation (PDE) of a physical system. Existing methods have demonstrated the PDE identification from finite observations but failed to maintain satisfying results…

Numerical Analysis · Mathematics 2023-02-09 Pongpisit Thanasutives , Takashi Morita , Masayuki Numao , Ken-ichi Fukui

End-to-end learning of dynamical systems with black-box models, such as neural ordinary differential equations (ODEs), provides a flexible framework for learning dynamics from data without prescribing a mathematical model for the dynamics.…

Machine Learning · Statistics 2022-06-20 Paidamoyo Chapfuwa , Sherri Rose , Lawrence Carin , Edward Meeds , Ricardo Henao

Systems involving Partial Differential Equations (PDEs) have recently become more popular among the machine learning community. However prior methods usually treat infinite dimensional problems in finite dimensions with Reduced Order…

Optimization and Control · Mathematics 2020-06-08 Ethan N. Evans , Marcus A. Pereira , George I. Boutselis , Evangelos A. Theodorou

Solving parametric partial differential equations (PDEs) and associated PDE-based, inverse problems is a central task in engineering and physics, yet existing neural operator methods struggle with high-dimensional, discontinuous inputs and…

Machine Learning · Computer Science 2025-07-03 Yaohua Zang , Phaedon-Stelios Koutsourelakis