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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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 2025-10-03 Zhaoyan Wang , Zheng Gao , Arogya Kharel , In-Young Ko