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Graph Neural Networks (GNNs) have achieved significant success in addressing node classification tasks. However, the effectiveness of traditional GNNs degrades on heterophilic graphs, where connected nodes often belong to different labels…

Machine Learning · Computer Science 2025-11-11 Asela Hevapathige , Asiri Wijesinghe , Ahad N. Zehmakan

Despite the tremendous success of graph-based learning systems in handling structural data, it has been widely investigated that they are fragile to adversarial attacks on homophilic graph data, where adversaries maliciously modify the…

Machine Learning · Computer Science 2025-09-05 Yulin Zhu , Yuni Lai , Xing Ai , Wai Lun LO , Gaolei Li , Jianhua Li , Di Tang , Xingxing Zhang , Mengpei Yang , Kai Zhou

Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Machine Learning · Computer Science 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang

Many machine learning techniques have been proposed in the last few years to process data represented in graph-structured form. Graphs can be used to model several scenarios, from molecules and materials to RNA secondary structures. Several…

Machine Learning · Computer Science 2018-11-19 Nicolò Navarin , Dinh V. Tran , Alessandro Sperduti

Protein representation learning aims to learn informative protein embeddings capable of addressing crucial biological questions, such as protein function prediction. Although sequence-based transformer models have shown promising results by…

Quantitative Methods · Quantitative Biology 2024-10-22 Michail Chatzianastasis , Yang Zhang , George Dasoulas , Michalis Vazirgiannis

Graph neural networks (GNNs) are commonly used in semi-supervised settings. Previous research has primarily focused on finding appropriate graph filters (e.g. aggregation methods) to perform well on both homophilic and heterophilic graphs.…

Machine Learning · Computer Science 2025-01-17 Yoonhyuk Choi , Jiho Choi , Taewook Ko , Chong-Kwon Kim

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Convolutional neural networks (CNNs) have achieved great success on grid-like data such as images, but face tremendous challenges in learning from more generic data such as graphs. In CNNs, the trainable local filters enable the automatic…

Machine Learning · Computer Science 2018-09-05 Hongyang Gao , Zhengyang Wang , Shuiwang Ji

Graph Neural Nets (GNNs) have received increasing attentions, partially due to their superior performance in many node and graph classification tasks. However, there is a lack of understanding on what they are learning and how sophisticated…

Machine Learning · Computer Science 2020-06-11 Ting Chen , Song Bian , Yizhou Sun

Graph neural networks (GNNs) achieve strong performance on graph learning tasks, but training on large-scale networks remains computationally challenging. Transferability results show that GNNs with fixed weights can generalize from smaller…

Signal Processing · Electrical Eng. & Systems 2026-04-17 Haoyu Wang , Renyuan Ma , Gonzalo Mateos , Luana Ruiz

Graph self-supervised learning (SSL) holds considerable promise for mining and learning with graph-structured data. Yet, a significant challenge in graph SSL lies in the feature discrepancy among graphs across different domains. In this…

Machine Learning · Computer Science 2024-06-06 Zhenyu Hou , Haozhan Li , Yukuo Cen , Jie Tang , Yuxiao Dong

Recently, graph Convolutional Neural Networks (graph CNNs) have been widely used for graph data representation and semi-supervised learning tasks. However, existing graph CNNs generally use a fixed graph which may be not optimal for…

Computer Vision and Pattern Recognition · Computer Science 2018-11-27 Bo Jiang , Ziyan Zhang , Doudou Lin , Jin Tang

Graph representation learning has now become the de facto standard when handling graph-structured data, with the framework of message-passing graph neural networks (MPNN) being the most prevailing algorithmic tool. Despite its popularity,…

Machine Learning · Computer Science 2023-10-18 Jiawang Dan , Ruofan Wu , Yunpeng Liu , Baokun Wang , Changhua Meng , Tengfei Liu , Tianyi Zhang , Ningtao Wang , Xing Fu , Qi Li , Weiqiang Wang

Self-supervised heterogeneous graph learning (SHGL) has shown promising potential in diverse scenarios. However, while existing SHGL methods share a similar essential with clustering approaches, they encounter two significant limitations:…

Artificial Intelligence · Computer Science 2024-12-03 Yujie Mo , Zhihe Lu , Runpeng Yu , Xiaofeng Zhu , Xinchao Wang

Attempting to fully exploit the rich information of topological structure and node features for attributed graph, we introduce self-supervised learning mechanism to graph representation learning and propose a novel Self-supervised Consensus…

Social and Information Networks · Computer Science 2021-08-12 Changshu Liu , Liangjian Wen , Zhao Kang , Guangchun Luo , Ling Tian

Graphs with heterophily, where adjacent nodes carry different labels, are prevalent in real-world applications, from social networks to molecular interactions. However, existing spectral Graph Neural Network (GNN) approaches tailored for…

Machine Learning · Computer Science 2026-05-13 Md Sazzad Hossen , Avimanyu Sahoo

Spectral Graph Neural Networks (GNNs) with various graph filters have received extensive affirmation due to their promising performance in graph learning problems. However, it is known that GNNs do not always perform well. Although graph…

Machine Learning · Computer Science 2022-02-18 Zhixian Chen , Tengfei Ma , Yang Wang

Graph structure learning (GSL), which aims to learn the adjacency matrix for graph neural networks (GNNs), has shown great potential in boosting the performance of GNNs. Most existing GSL works apply a joint learning framework where the…

Machine Learning · Computer Science 2023-03-02 Jianan Zhao , Qianlong Wen , Mingxuan Ju , Chuxu Zhang , Yanfang Ye

Graph neural architecture search (NAS) has gained popularity in automatically designing powerful graph neural networks (GNNs) with relieving human efforts. However, existing graph NAS methods mainly work under the homophily assumption and…

Machine Learning · Computer Science 2023-02-27 Xin Zheng , Miao Zhang , Chunyang Chen , Qin Zhang , Chuan Zhou , Shirui Pan

In representation learning on graph-structured data, many popular graph neural networks (GNNs) fail to capture long-range dependencies, leading to performance degradation. Furthermore, this weakness is magnified when the concerned graph is…

Machine Learning · Computer Science 2024-03-07 Mengying Jiang , Guizhong Liu , Yuanchao Su , Xinliang Wu
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