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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

This article introduces GIT-Net, a deep neural network architecture for approximating Partial Differential Equation (PDE) operators, inspired by integral transform operators. GIT-NET harnesses the fact that differential operators commonly…

Machine Learning · Statistics 2023-12-06 Chao Wang , Alexandre Hoang Thiery

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

Graph Neural Networks (GNNs) have shown impressive performance in graph representation learning, but they face challenges in capturing long-range dependencies due to their limited expressive power. To address this, Graph Transformers (GTs)…

Machine Learning · Computer Science 2024-06-19 Kaan Sancak , Zhigang Hua , Jin Fang , Yan Xie , Andrey Malevich , Bo Long , Muhammed Fatih Balin , Ümit V. Çatalyürek

We propose the geometry-informed neural operator (GINO), a highly efficient approach to learning the solution operator of large-scale partial differential equations with varying geometries. GINO uses a signed distance function and…

Graph Transformer (GT), as a special type of Graph Neural Networks (GNNs), utilizes multi-head attention to facilitate high-order message passing. However, this also imposes several limitations in node classification applications: 1) nodes…

Machine Learning · Computer Science 2024-10-16 Jiajun Zhou , Xuanze Chen , Chenxuan Xie , Yu Shanqing , Qi Xuan , Xiaoniu Yang

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

Graph Neural Networks (GNNs) have established themselves as the leading models for learning on graph-structured data, generally categorized into spatial and spectral approaches. Central to these architectures is the Graph Shift Operator…

Machine Learning · Computer Science 2026-02-09 Yassine Abbahaddou

Learning the solution operators of PDEs on arbitrary domains is challenging due to the diversity of possible domain shapes, in addition to the often intricate underlying physics. We propose an end-to-end graph neural network (GNN) based…

Machine Learning · Computer Science 2025-10-15 Sepehr Mousavi , Shizheng Wen , Levi Lingsch , Maximilian Herde , Bogdan Raonić , Siddhartha Mishra

Generative models in function spaces, situated at the intersection of generative modeling and operator learning, are attracting increasing attention due to their immense potential in diverse scientific and engineering applications. While…

Machine Learning · Computer Science 2025-10-30 Yaozhong Shi , Zachary E. Ross , Domniki Asimaki , Kamyar Azizzadenesheli

Transformer-based models have recently shown success in representation learning on graph-structured data beyond natural language processing and computer vision. However, the success is limited to small-scale graphs due to the drawbacks of…

Machine Learning · Computer Science 2022-10-05 Jinyoung Park , Seongjun Yun , Hyeonjin Park , Jaewoo Kang , Jisu Jeong , Kyung-Min Kim , Jung-woo Ha , Hyunwoo J. Kim

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

Solving inverse problems governed by partial differential equations (PDEs) is central to science and engineering, yet remains challenging when measurements are sparse, noisy, or when the underlying coefficients are high-dimensional or…

Machine Learning · Computer Science 2025-11-06 Gang Bao , Yaohua Zang

Accurate and efficient physical simulations are essential in science and engineering, yet traditional numerical solvers face significant challenges in computational cost when handling simulations across dynamic scenarios involving complex…

Computational Engineering, Finance, and Science · Computer Science 2025-12-12 Pengwei Liu , Xingyu Ren , Pengkai Wang , Hangjie Yuan , Zhongkai Hao , Guanyu Chen , Chao Xu , Dong Ni , Shengze Cai

Transformers have revolutionized performance in Natural Language Processing and Vision, paving the way for their integration with Graph Neural Networks (GNNs). One key challenge in enhancing graph transformers is strengthening the…

Machine Learning · Computer Science 2026-01-09 Yun Young Choi , Sun Woo Park , Minho Lee , Youngho Woo

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

Machine Learning · Computer Science 2020-02-06 Seongjun Yun , Minbyul Jeong , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Data-driven turbulence prediction methods often face challenges related to data dependency and lack of physical interpretability. In this paper, we propose a physics-informed Transformer operator (PITO) and its implicit variant (PIITO) for…

Fluid Dynamics · Physics 2026-04-08 Zhihong Guo , Sunan Zhao , Huiyu Yang , Yunpeng Wang , Jianchun Wang

Recent years have witnessed the emerging success of graph neural networks (GNNs) for modeling structured data. However, most GNNs are designed for homogeneous graphs, in which all nodes and edges belong to the same types, making them…

Machine Learning · Computer Science 2020-03-04 Ziniu Hu , Yuxiao Dong , Kuansan Wang , Yizhou Sun

Transformers are more and more popular in computer vision, which treat an image as a sequence of patches and learn robust global features from the sequence. However, pure transformers are not entirely suitable for vehicle re-identification…

Computer Vision and Pattern Recognition · Computer Science 2023-01-12 Fei Shen , Yi Xie , Jianqing Zhu , Xiaobin Zhu , Huanqiang Zeng

Graph Transformers (GTs) show considerable potential in graph representation learning. The architecture of GTs typically integrates Graph Neural Networks (GNNs) with global attention mechanisms either in parallel or as a precursor to…

Machine Learning · Computer Science 2026-02-04 Gang Wu , Zhengwei Wang
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