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Graph neural network (GNN) is a promising approach to learning and predicting physical phenomena described in boundary value problems, such as partial differential equations (PDEs) with boundary conditions. However, existing models…

Machine Learning · Computer Science 2023-03-24 Masanobu Horie , Naoto Mitsume

In this paper, we show that a simple coloring scheme can improve, both theoretically and empirically, the expressive power of Message Passing Neural Networks(MPNNs). More specifically, we introduce a graph neural network called Colored…

Machine Learning · Computer Science 2019-12-13 George Dasoulas , Ludovic Dos Santos , Kevin Scaman , Aladin Virmaux

Graph neural networks (GNNs) are widely used for learning on structured data, yet their ability to distinguish non-isomorphic graphs is fundamentally limited. These limitations are usually attributed to message passing; in this work we show…

Machine Learning · Computer Science 2026-02-06 Mouad Talhi , Arne Wolf , Anthea Monod

Random walk neural networks (RWNNs) have emerged as a promising approach for graph representation learning, leveraging recent advances in sequence models to process random walks. However, under realistic sampling constraints, RWNNs often…

Machine Learning · Computer Science 2025-10-28 Michael Ito , Danai Koutra , Jenna Wiens

Graph Neural Networks (GNNs) have emerged as a dominant approach in graph representation learning, yet they often struggle to capture consistent similarity relationships among graphs. While graph kernel methods such as the Weisfeiler-Lehman…

Machine Learning · Computer Science 2024-12-12 Xuyuan Liu , Yinghao Cai , Qihui Yang , Yujun Yan

Message passing neural networks (MPNNs) learn the representation of graph-structured data based on graph original information, including node features and graph structures, and have shown astonishing improvement in node classification…

Machine Learning · Computer Science 2023-01-30 Xiao Liu , Lijun Zhang , Hui Guan

The expressive power of message passing neural networks (MPNNs) is known to match the expressive power of the 1-dimensional Weisfeiler-Leman graph (1-WL) isomorphism test. To boost the expressive power of MPNNs, a number of graph neural…

Machine Learning · Computer Science 2020-06-18 Floris Geerts

Self-supervised learning of graph neural networks (GNNs) aims to learn an accurate representation of the graphs in an unsupervised manner, to obtain transferable representations of them for diverse downstream tasks. Predictive learning and…

Machine Learning · Computer Science 2022-10-11 Dongki Kim , Jinheon Baek , Sung Ju Hwang

Self-supervised learning has shown its promising capability in graph representation learning in recent work. Most existing pre-training strategies usually choose the popular Graph neural networks (GNNs), which can be seen as a special form…

Machine Learning · Computer Science 2023-06-16 Yilin Ding , Zhen Liu , Hao Hao

Most Graph Neural Networks (GNNs) propagate messages by treating node embeddings as holistic feature vectors, implicitly assuming uniform relevance across feature dimensions. This limits their ability to selectively transmit informative…

Machine Learning · Computer Science 2025-12-24 Longlong Li , Mengyang Zhao , Guanghui Wang , Cunquan Qu

Graph neural network (GNN) pre-training methods have been proposed to enhance the power of GNNs. Specifically, a GNN is first pre-trained on a large-scale unlabeled graph and then fine-tuned on a separate small labeled graph for downstream…

Machine Learning · Computer Science 2022-09-16 Simiao Zuo , Haoming Jiang , Qingyu Yin , Xianfeng Tang , Bing Yin , Tuo Zhao

Inspired by the immense success of deep learning, graph neural networks (GNNs) are widely used to learn powerful node representations and have demonstrated promising performance on different graph learning tasks. However, most real-world…

Machine Learning · Computer Science 2020-01-24 Kaize Ding , Yichuan Li , Jundong Li , Chenghao Liu , Huan Liu

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 (GNN) are inherently limited in their expressive power. Recent seminal works (Xu et al., 2019; Morris et al., 2019b) introduced the Weisfeiler-Lehman (WL) hierarchy as a measure of expressive power. Although this…

Machine Learning · Computer Science 2023-06-06 Omri Puny , Derek Lim , Bobak T. Kiani , Haggai Maron , Yaron Lipman

The expressive power of message-passing graph neural networks (MPNNs) is reasonably well understood, primarily through combinatorial techniques from graph isomorphism testing. However, MPNNs' generalization abilities -- making meaningful…

Machine Learning · Computer Science 2024-12-11 Antonis Vasileiou , Ben Finkelshtein , Floris Geerts , Ron Levie , Christopher Morris

Graph representation learning methods are highly effective in handling complex non-Euclidean data by capturing intricate relationships and features within graph structures. However, traditional methods face challenges when dealing with…

Machine Learning · Computer Science 2025-02-25 Hang Gao , Chenhao Zhang , Fengge Wu , Junsuo Zhao , Changwen Zheng , Huaping Liu

With the widespread use of Graph Neural Networks (GNNs) for representation learning from network data, the fairness of GNN models has raised great attention lately. Fair GNNs aim to ensure that node representations can be accurately…

Social and Information Networks · Computer Science 2024-10-23 Guixian Zhang , Guan Yuan , Debo Cheng , Lin Liu , Jiuyong Li , Shichao Zhang

Graph neural networks (GNNs) have shown great power in learning on attributed graphs. However, it is still a challenge for GNNs to utilize information faraway from the source node. Moreover, general GNNs require graph attributes as input,…

Machine Learning · Computer Science 2021-12-28 Danhao Zhu , Xin-yu Dai , Jiajun Chen

Line graph transformation has been widely studied in graph theory, where each node in a line graph corresponds to an edge in the original graph. This has inspired a series of graph neural networks (GNNs) applied to transformed line graphs,…

Machine Learning · Computer Science 2025-03-21 Fan Yang , Xingyue Huang

Graph Neural Networks (GNNs) have emerged as promising solutions for collaborative filtering (CF) through the modeling of user-item interaction graphs. The nucleus of existing GNN-based recommender systems involves recursive message passing…

Machine Learning · Computer Science 2024-05-21 Peiyan Zhang , Yuchen Yan , Xi Zhang , Chaozhuo Li , Senzhang Wang , Feiran Huang , Sunghun Kim
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