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Neural operators have become increasingly popular in solving \textit{partial differential equations} (PDEs) due to their superior capability to capture intricate mappings between function spaces over complex domains. However, the…

Machine Learning · Computer Science 2026-03-02 Jianing Huang , Kaixuan Zhang , Youjia Wu , Ze Cheng

Graph Neural Networks (GNNs) have emerged as powerful tools for learning representations from structured data. Despite their growing popularity and success across various applications, GNNs encounter several challenges that limit their…

Machine Learning · Computer Science 2026-02-03 Yassine Abbahaddou

Graph neural networks (GNNs) have been applied into a variety of graph tasks. Most existing work of GNNs is based on the assumption that the given graph data is optimal, while it is inevitable that there exists missing or incomplete edges…

Machine Learning · Computer Science 2022-05-13 Qianggang Ding , Deheng Ye , Tingyang Xu , Peilin Zhao

The majority of model-based learned image reconstruction methods in medical imaging have been limited to uniform domains, such as pixelated images. If the underlying model is solved on nonuniform meshes, arising from a finite element method…

Image and Video Processing · Electrical Eng. & Systems 2021-07-12 William Herzberg , Daniel B. Rowe , Andreas Hauptmann , Sarah J. Hamilton

We introduce the framework of continuous-depth graph neural networks (GNNs). Neural graph differential equations (Neural GDEs) are formalized as the counterpart to GNNs where the input-output relationship is determined by a continuum of GNN…

Machine Learning · Computer Science 2021-06-23 Michael Poli , Stefano Massaroli , Clayton M. Rabideau , Junyoung Park , Atsushi Yamashita , Hajime Asama , Jinkyoo Park

Scientific computing using deep learning has seen significant advancements in recent years. There has been growing interest in models that learn the operator from the parameters of a partial differential equation (PDE) to the corresponding…

Machine Learning · Computer Science 2024-02-14 Sung Woong Cho , Jae Yong Lee , Hyung Ju Hwang

In recent years, Graph Neural Networks (GNNs) have been utilized for various applications ranging from drug discovery to network design and social networks. In many applications, it is impossible to observe some properties of the graph…

Machine Learning · Computer Science 2025-03-12 Moshe Eliasof , Md Shahriar Rahim Siddiqui , Carola-Bibiane Schönlieb , Eldad Haber

Many combinatorial optimization problems can be phrased in the language of constraint satisfaction problems. We introduce a graph neural network architecture for solving such optimization problems. The architecture is generic; it works for…

Artificial Intelligence · Computer Science 2020-02-12 Jan Toenshoff , Martin Ritzert , Hinrikus Wolf , Martin Grohe

Neural operators (NOs) struggle with high-contrast multiscale partial differential equations (PDEs), where fine-scale heterogeneities cause large errors. To address this, we use the Generalized Multiscale Finite Element Method (GMsFEM) that…

Networks are a powerful tool to model complex systems, and the definition of many Graph Neural Networks (GNN), Deep Learning algorithms that can handle networks, has opened a new way to approach many real-world problems that would be hardly…

Machine Learning · Computer Science 2021-09-28 Marco Grassia , Manlio De Domenico , Giuseppe Mangioni

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

Machine Learning · Computer Science 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

Recently deep learning surrogates and neural operators have shown promise in solving partial differential equations (PDEs). However, they often require a large amount of training data and are limited to bounded domains. In this work, we…

Machine Learning · Computer Science 2023-08-25 Zhiwei Fang , Sifan Wang , Paris Perdikaris

Deep neural networks have enabled researchers to create powerful generalized frameworks, such as transformers, that can be used to solve well-studied problems in various application domains, such as text and image. However, such generalized…

Machine Learning · Computer Science 2025-02-12 Rudrajit Dawn , Madhusudan Ghosh , Partha Basuchowdhuri , Sudip Kumar Naskar

The classical development of neural networks has been primarily for mappings between a finite-dimensional Euclidean space and a set of classes, or between two finite-dimensional Euclidean spaces. The purpose of this work is to generalize…

Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

Machine Learning · Computer Science 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

Graph neural networks (GNNs) are the most widely adopted model in graph-structured data oriented learning and representation. Despite their extraordinary success in real-world applications, understanding their working mechanism by theory is…

Machine Learning · Computer Science 2023-05-16 Huayi Tang , Yong Liu

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

Deep learning has consistently defied state-of-the-art techniques in many fields over the last decade. However, we are just beginning to understand the capabilities of neural learning in symbolic domains. Deep learning architectures that…

Machine Learning · Computer Science 2020-03-10 Henrique Lemos , Marcelo Prates , Pedro Avelar , Luis Lamb

Graph Neural Networks (GNNs) have proven to be highly effective for node classification tasks across diverse graph structural patterns. Traditionally, GNNs employ a uniform global filter, typically a low-pass filter for homophilic graphs…

Machine Learning · Computer Science 2024-06-06 Haoyu Han , Juanhui Li , Wei Huang , Xianfeng Tang , Hanqing Lu , Chen Luo , Hui Liu , Jiliang Tang

Graph Neural Networks (GNNs) are an emerging research field. This specialized Deep Neural Network (DNN) architecture is capable of processing graph structured data and bridges the gap between graph processing and Deep Learning (DL). As…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-24 Jana Vatter , Ruben Mayer , Hans-Arno Jacobsen