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While Transformers have demonstrated remarkable potential in modeling Partial Differential Equations (PDEs), modeling large-scale unstructured meshes with complex geometries remains a significant challenge. Existing efficient architectures…

Machine Learning · Computer Science 2026-05-01 Zhuo Zhang , Xi Yang , Ying Miao , Xiaobin Hu , Yifu Gao , Yuan Zhao , Yong Yang , Canqun Yang , Boocheong Khoo

Learning partial differential equations' (PDEs) solution operators is an essential problem in machine learning. However, there are several challenges for learning operators in practical applications like the irregular mesh, multiple input…

Machine Learning · Computer Science 2023-06-16 Zhongkai Hao , Zhengyi Wang , Hang Su , Chengyang Ying , Yinpeng Dong , Songming Liu , Ze Cheng , Jian Song , Jun Zhu

Neural operators have emerged as powerful data-driven solvers for PDEs, offering substantial acceleration over classical numerical methods. However, existing transformer-based operators still face critical challenges when modeling PDEs on…

Artificial Intelligence · Computer Science 2026-05-12 Chun-Wun Cheng , Sifan Wang , Carola-Bibiane Schönlieb , Angelica I. Aviles-Rivero

Machine-learning-based surrogate models offer significant computational efficiency and faster simulations compared to traditional numerical methods, especially for problems requiring repeated evaluations of partial differential equations.…

Machine Learning · Computer Science 2025-12-15 Qibang Liu , Weiheng Zhong , Hadi Meidani , Diab Abueidda , Seid Koric , Philippe Geubelle

Learning solution operators for systems with complex, varying geometries and parametric physical settings is a central challenge in scientific machine learning. In many-query regimes such as design optimization, control and inverse…

Machine Learning · Computer Science 2026-05-15 Wenqian Chen , Yucheng Fu , Michael Penwarden , Pratanu Roy , Panos Stinis

We propose integrating optimal transport (OT) into operator learning for partial differential equations (PDEs) on complex geometries. Classical geometric learning methods typically represent domains as meshes, graphs, or point clouds. Our…

Machine Learning · Computer Science 2025-07-29 Xinyi Li , Zongyi Li , Nikola Kovachki , Anima Anandkumar

Solving Partial Differential Equation (PDE) interface problems on varying domains is a critical task in design and optimization, yet it remains computationally prohibitive for traditional solvers. Although operator learning has shown…

Numerical Analysis · Mathematics 2026-04-07 Shanshan Xiao , Ye Li , Zhongyi Huang , Hao Wu

Solving partial differential equations (PDEs) efficiently and accurately remains a cornerstone challenge in science and engineering, especially for problems involving complex geometries and limited labeled data. We introduce a Physics- and…

Machine Learning · Computer Science 2025-08-14 Subhankar Sarkar , Souvik Chakraborty

In recent years, molecular representation learning has emerged as a key area of focus in various chemical tasks. However, many existing models fail to fully consider the geometric information of molecular structures, resulting in less…

Machine Learning · Computer Science 2023-06-29 Bumju Kwak , Jiwon Park , Taewon Kang , Jeonghee Jo , Byunghan Lee , Sungroh Yoon

Deep learning surrogate models have shown promise in solving partial differential equations (PDEs). Among them, the Fourier neural operator (FNO) achieves good accuracy, and is significantly faster compared to numerical solvers, on a…

Machine Learning · Computer Science 2024-05-03 Zongyi Li , Daniel Zhengyu Huang , Burigede Liu , Anima Anandkumar

Existing RGB-based imitation learning approaches typically employ traditional vision encoders such as ResNet or ViT, which lack explicit 3D reasoning capabilities. Recent geometry-grounded vision models, such as VGGT~\cite{wang2025vggt},…

Robotics · Computer Science 2025-09-22 An Dinh Vuong , Minh Nhat Vu , Ian Reid

The computational efficiency of many neural operators, widely used for learning solutions of PDEs, relies on the fast Fourier transform (FFT) for performing spectral computations. As the FFT is limited to equispaced (rectangular) grids,…

Industrial design evaluation often relies on high-fidelity simulations of governing partial differential equations (PDEs). While accurate, these simulations are computationally expensive, making dense exploration of design spaces…

Machine Learning · Computer Science 2025-10-01 Zhizhou Zhang , Youjia Wu , Kaixuan Zhang , Yanjia Wang

Engineering design problems often involve solving parametric Partial Differential Equations (PDEs) under variable PDE parameters and domain geometry. Recently, neural operators have shown promise in learning PDE operators and quickly…

Machine Learning · Computer Science 2024-11-14 Weiheng Zhong , Hadi Meidani

In recent years, transformer structures have been widely applied in image captioning with impressive performance. For good captioning results, the geometry and position relations of different visual objects are often thought of as crucial…

Computer Vision and Pattern Recognition · Computer Science 2021-10-04 Chi Wang , Yulin Shen , Luping Ji

A computed approximation of the solution operator to a system of partial differential equations (PDEs) is needed in various areas of science and engineering. Neural operators have been shown to be quite effective at predicting these…

Machine Learning · Computer Science 2024-12-02 Zan Ahmad , Shiyi Chen , Minglang Yin , Avisha Kumar , Nicolas Charon , Natalia Trayanova , Mauro Maggioni

The convergence behavior of classical iterative solvers for parametric partial differential equations (PDEs) is often highly sensitive to the domain and specific discretization of PDEs. Previously, we introduced hybrid solvers by combining…

Machine Learning · Computer Science 2025-12-17 Youngkyu Lee , Francesc Levrero Florencio , Jay Pathak , George Em Karniadakis

Pre-training neural operators on diverse partial differential equation (PDE) datasets has emerged as a promising direction for building general-purpose surrogate models in scientific machine learning. However, the inherent complexity and…

Machine Learning · Computer Science 2026-05-18 Qitan Lv , Hong Wang , Zhongkai Hao , Wen Wu , Xuenan Xu , Bowen Zhou , Feng Wu , Chao Zhang

Fourier neural operators (FNOs) can learn highly nonlinear mappings between function spaces, and have recently become a popular tool for learning responses of complex physical systems. However, to achieve good accuracy and efficiency, FNOs…

Machine Learning · Computer Science 2023-10-31 Ning Liu , Siavash Jafarzadeh , Yue Yu

Learning solution operators of partial differential equations (PDEs) from data has emerged as a promising route to fast surrogate models in multi-query scientific workflows. However, for geometric PDEs whose inputs and outputs transform…

Artificial Intelligence · Computer Science 2026-03-17 Pengcheng Cheng
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