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Graph learning on molecules makes use of information from both the molecular structure and the features attached to that structure. Much work has been conducted on biasing either towards structure or features, with the aim that bias…

Machine Learning · Computer Science 2025-02-03 Alex O. Davies , Nirav S. Ajmeri , Telmo de Menezes e Silva Filho

Graph neural networks (GNNs) have emerged as a powerful tool for modeling graph-structured data. However, existing GNNs often struggle with heterophilic graphs, where connected nodes tend to have dissimilar features or labels. While…

Machine Learning · Computer Science 2026-02-10 Ruizhong Qiu , Ting-Wei Li , Gaotang Li , Hanghang Tong

The drastic performance degradation of Graph Neural Networks (GNNs) as the depth of the graph propagation layers exceeds 8-10 is widely attributed to a phenomenon of Over-smoothing. Although recent research suggests that Over-smoothing may…

Machine Learning · Computer Science 2024-08-08 Jie Peng , Runlin Lei , Zhewei Wei

Graph neural networks (GNNs) learn the representation of graph-structured data, and their expressiveness can be further enhanced by inferring node relations for propagation. Attention-based GNNs infer neighbor importance to manipulate the…

Machine Learning · Computer Science 2023-06-06 Soo Yong Lee , Fanchen Bu , Jaemin Yoo , Kijung Shin

Prompt learning has demonstrated impressive efficacy in the fine-tuning of multimodal large models to a wide range of downstream tasks. Nonetheless, applying existing prompt learning methods for the diagnosis of neurological disorder still…

Computer Vision and Pattern Recognition · Computer Science 2024-06-28 Liang Peng , Songyue Cai , Zongqian Wu , Huifang Shang , Xiaofeng Zhu , Xiaoxiao Li

How can we enhance the node features acquired from Pretrained Models (PMs) to better suit downstream graph learning tasks? Graph Neural Networks (GNNs) have become the state-of-the-art approach for many high-impact, real-world graph…

Machine Learning · Computer Science 2025-04-01 Jing Zhu , Xiang Song , Vassilis N. Ioannidis , Danai Koutra , Christos Faloutsos

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

Knowledge graphs automatically constructed from text are increasingly used in real-world applications. However, their inherent noise, fragmentation, and semantic inconsistencies significantly affect the performance of Graph Neural Networks…

Machine Learning · Computer Science 2026-05-08 Othmane Kabal , Mounira Harzallah , Fabrice Guillet , Hideaki Takeda , Ryutaro Ichise

Many successful learning algorithms have been recently developed to represent graph-structured data. For example, Graph Neural Networks (GNNs) have achieved considerable successes in various tasks such as node classification, graph…

Machine Learning · Computer Science 2022-04-12 Razieh Ghiasi , Hossein Amirkhani , Alireza Bosaghzadeh

Graph neural networks (GNNs) work well when the graph structure is provided. However, this structure may not always be available in real-world applications. One solution to this problem is to infer a task-specific latent structure and then…

Machine Learning · Computer Science 2021-11-02 Bahare Fatemi , Layla El Asri , Seyed Mehran Kazemi

Node representation learning by using Graph Neural Networks (GNNs) has been widely explored. However, in recent years, compelling evidence has revealed that GNN-based node representation learning can be substantially deteriorated by…

Machine Learning · Computer Science 2023-12-19 Jun Zhuang , Mohammad Al Hasan

Graph Prompt Feature (GPF) learning has been widely used in adapting pre-trained GNN model on the downstream task. GPFs first introduce some prompt atoms and then learns the optimal prompt vector for each graph node using the linear…

Machine Learning · Computer Science 2026-01-07 Bo Jiang , Weijun Zhao , Beibei Wang , Jin Tang

Link prediction is a fundamental problem in many graph based applications, such as protein-protein interaction prediction. Graph neural network (GNN) has recently been widely used for link prediction. However, existing GNN based link…

Machine Learning · Computer Science 2023-03-02 Kai-Lang Yao , Wu-Jun Li

Real-world graph data environments intrinsically exist noise (e.g., link and structure errors) that inevitably disturb the effectiveness of graph representation and downstream learning tasks. For homogeneous graphs, the latest works use…

Machine Learning · Computer Science 2024-12-25 Xiong Zhang , Cheng Xie , Haoran Duan , Beibei Yu

In this work, we provide a new formulation for Graph Convolutional Neural Networks (GCNNs) for link prediction on graph data that addresses common challenges for biomedical knowledge graphs (KGs). We introduce a regularized attention…

Machine Learning · Computer Science 2018-12-04 Daniel Neil , Joss Briody , Alix Lacoste , Aaron Sim , Paidi Creed , Amir Saffari

Graph neural networks (GNNs) encounter significant computational challenges when handling large-scale graphs, which severely restricts their efficacy across diverse applications. To address this limitation, graph condensation has emerged as…

Machine Learning · Computer Science 2023-12-12 Xinyi Gao , Tong Chen , Yilong Zang , Wentao Zhang , Quoc Viet Hung Nguyen , Kai Zheng , Hongzhi Yin

Graphs are a powerful data structure for representing relational data and are widely used to describe complex real-world systems. Probabilistic Graphical Models (PGMs) and Graph Neural Networks (GNNs) can both leverage graph-structured…

Machine Learning · Statistics 2025-08-26 Michela Lapenna , Caterina De Bacco

Noise and inconsistency commonly exist in real-world information networks, due to inherent error-prone nature of human or user privacy concerns. To date, tremendous efforts have been made to advance feature learning from networks, including…

Machine Learning · Computer Science 2019-12-30 Min Shi , Yufei Tang , Xingquan Zhu , Jianxun Liu

This paper aims to provide a novel design of a multiscale framelet convolution for spectral graph neural networks (GNNs). While current spectral methods excel in various graph learning tasks, they often lack the flexibility to adapt to…

Machine Learning · Computer Science 2024-07-30 Mengxi Yang , Dai Shi , Xuebin Zheng , Jie Yin , Junbin Gao

Graph Neural Networks (GNNs) are widely adopted in Web-related applications, serving as a core technique for learning from graph-structured data, such as text-attributed graphs. Yet in real-world scenarios, such graphs exhibit deficiencies…

Machine Learning · Computer Science 2025-10-03 Zhaoyan Wang , Zheng Gao , Arogya Kharel , In-Young Ko