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Predicting molecular properties with data-driven methods has drawn much attention in recent years. Particularly, Graph Neural Networks (GNNs) have demonstrated remarkable success in various molecular generation and prediction tasks. In…

定量方法 · 定量生物学 2021-10-19 Zaixi Zhang , Qi Liu , Hao Wang , Chengqiang Lu , Chee-Kong Lee

The graph structure is a commonly used data storage mode, and it turns out that the low-dimensional embedded representation of nodes in the graph is extremely useful in various typical tasks, such as node classification, link prediction ,…

社会与信息网络 · 计算机科学 2020-08-03 Xing Li , Wei Wei , Xiangnan Feng , Xue Liu , Zhiming Zheng

Graph neural networks (GNNs) are prominent for their effectiveness in processing graph data for semi-supervised node classification tasks. Most works of GNNs assume that the observed structure accurately represents the underlying node…

机器学习 · 计算机科学 2024-11-08 Shuangjie Li , Jiangqing Song , Baoming Zhang , Gaoli Ruan , Junyuan Xie , Chongjun Wang

Graph neural networks (GNNs) often struggle to learn discriminative node representations for heterophilic graphs, where connected nodes tend to have dissimilar labels and feature similarity provides weak structural cues. We propose…

机器学习 · 计算机科学 2025-12-30 Ayushman Raghuvanshi , Gonzalo Mateos , Sundeep Prabhakar Chepuri

Pre-training Graph Neural Networks (GNN) via self-supervised contrastive learning has recently drawn lots of attention. However, most existing works focus on node-level contrastive learning, which cannot capture global graph structure. The…

机器学习 · 计算机科学 2021-04-19 Shichang Zhang , Ziniu Hu , Arjun Subramonian , Yizhou Sun

Graphs are widely used to describe real-world objects and their interactions. Graph Neural Networks (GNNs) as a de facto model for analyzing graphstructured data, are highly sensitive to the quality of the given graph structures. Therefore,…

机器学习 · 计算机科学 2022-02-16 Yanqiao Zhu , Weizhi Xu , Jinghao Zhang , Yuanqi Du , Jieyu Zhang , Qiang Liu , Carl Yang , Shu Wu

In recent years, graph neural networks (GNNs) have emerged as a successful tool in a variety of graph-related applications. However, the performance of GNNs can be deteriorated when noisy connections occur in the original graph structures;…

机器学习 · 计算机科学 2022-01-19 Yixin Liu , Yu Zheng , Daokun Zhang , Hongxu Chen , Hao Peng , Shirui Pan

Graph Self-Supervised Learning (GSSL) provides a robust pathway for acquiring embeddings without expert labelling, a capability that carries profound implications for molecular graphs due to the staggering number of potential molecules and…

机器学习 · 计算机科学 2023-10-19 Hanchen Wang , Jean Kaddour , Shengchao Liu , Jian Tang , Joan Lasenby , Qi Liu

To improve the performance of Graph Neural Networks (GNNs), Graph Structure Learning (GSL) has been extensively applied to reconstruct or refine original graph structures, effectively addressing issues like heterophily, over-squashing, and…

机器学习 · 计算机科学 2024-11-13 Yilun Zheng , Zhuofan Zhang , Ziming Wang , Xiang Li , Sitao Luan , Xiaojiang Peng , Lihui Chen

Text classification plays an important role in various downstream text-related tasks, such as sentiment analysis, fake news detection, and public opinion analysis. Recently, text classification based on Graph Neural Networks (GNNs) has made…

计算与语言 · 计算机科学 2025-12-24 Zuo Wang , Ye Yuan

To improve the robustness of graph neural networks (GNN), graph structure learning (GSL) has attracted great interest due to the pervasiveness of noise in graph data. Many approaches have been proposed for GSL to jointly learn a clean graph…

机器学习 · 计算机科学 2023-07-06 Shaogao Lv , Gang Wen , Shiyu Liu , Linsen Wei , Ming Li

Real-world heterogeneous graphs are inherently noisy and usually not in the optimal graph structures for downstream tasks, which often adversely affects the performance of GRL models in downstream tasks. Although Graph Structure Learning…

机器学习 · 计算机科学 2026-04-08 He Zhao , Zhiwei Zeng , Yongwei Wang , Chunyan Miao

This work presents a novel approach to tabular data prediction leveraging graph structure learning and graph neural networks. Despite the prevalence of tabular data in real-world applications, traditional deep learning methods often…

机器学习 · 计算机科学 2023-05-26 Jay Chiehen Liao , Cheng-Te Li

The quality of graph-structured data is fundamental to the success of modern graph analysis techniques such as Graph Neural Networks (GNNs). However, real-world graph data is often suboptimal, suffering from issues such as noise and…

机器学习 · 计算机科学 2026-05-19 Shen Han , Zhiyao Zhou , Jiawei Chen , Sheng Zhou , Canghong Jin , Hai Lin , Da Zhong Li , Bingde Hu , Can Wang

Graph neural networks (GNNs) are widely applied in graph data modeling. However, existing GNNs are often trained in a task-driven manner that fails to fully capture the intrinsic nature of the graph structure, resulting in sub-optimal node…

机器学习 · 计算机科学 2024-07-17 Zhenhua Huang , Kunhao Li , Shaojie Wang , Zhaohong Jia , Wentao Zhu , Sharad Mehrotra

Graph Structure Learning (GSL) recently has attracted considerable attentions in its capacity of optimizing graph structure as well as learning suitable parameters of Graph Neural Networks (GNNs) simultaneously. Current GSL methods mainly…

机器学习 · 计算机科学 2022-01-17 Nian Liu , Xiao Wang , Lingfei Wu , Yu Chen , Xiaojie Guo , Chuan Shi

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

Traditional Graph Self-Supervised Learning (GSSL) struggles to capture complex structural properties well. This limitation stems from two main factors: (1) the inadequacy of conventional Graph Neural Networks (GNNs) in representing…

机器学习 · 计算机科学 2025-02-25 Asiri Wijesinghe , Hao Zhu , Piotr Koniusz

Graph Neural Networks (GNNs) have become a prominent approach for learning from graph-structured data. However, their effectiveness can be significantly compromised when the graph structure is suboptimal. To address this issue, Graph…

机器学习 · 计算机科学 2025-02-20 Shen Han , Zhiyao Zhou , Jiawei Chen , Zhezheng Hao , Sheng Zhou , Gang Wang , Yan Feng , Chun Chen , Can 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…

机器学习 · 计算机科学 2023-03-02 Jianan Zhao , Qianlong Wen , Mingxuan Ju , Chuxu Zhang , Yanfang Ye
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