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Graph Neural Networks (GNNs) have become the de facto standard for analyzing graph-structured data, leveraging message-passing techniques to capture both structural and node feature information. However, recent studies have raised concerns…

机器学习 · 计算机科学 2024-10-22 Yujia Wu , Bo Yang , Yang Zhao , Elynn Chen , Yuzhou Chen , Zheshi Zheng

Graphs are essential for modeling complex relationships and capturing structured interactions in data. Graph Neural Networks (GNNs) are particularly effective when such relational structure is explicitly available, but many real-world…

图形学 · 计算机科学 2026-03-02 Haozhe Chen , Soheila Farokhi , Kelvyn Bladen , Hamid Karimi , Kevin R. Moon

Graph Neural Networks (GNNs) excel at learning from structured data, yet fairness in regression tasks remains underexplored. Existing approaches mainly target classification and representation-level debiasing, which cannot fully address the…

机器学习 · 计算机科学 2025-10-24 Soyoung Park , Sungsu Lim

Graph neural networks (GNNs) are becoming increasingly popular for EEG-based depression detection. However, previous GNN-based methods fail to sufficiently consider the characteristics of depression, thus limiting their performance.…

信号处理 · 电气工程与系统科学 2026-05-11 Yiye Wang , Wenming Zheng , Yang Li , Hao Yang

Graph-based semi-supervised node classification has been shown to become a state-of-the-art approach in many applications with high research value and significance. Most existing methods are only based on the original intrinsic or…

机器学习 · 计算机科学 2023-06-08 Jianpeng Liao , Jun Yan , Qian Tao

Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of…

机器学习 · 计算机科学 2024-01-02 Derek Lim , Haggai Maron , Marc T. Law , Jonathan Lorraine , James Lucas

Multi-view data containing complementary and consensus information can facilitate representation learning by exploiting the intact integration of multi-view features. Because most objects in real world often have underlying connections,…

机器学习 · 计算机科学 2023-08-15 Zhaoliang Chen , Lele Fu , Shunxin Xiao , Shiping Wang , Claudia Plant , Wenzhong Guo

We explore different strategies to integrate prior domain knowledge into the design of a deep neural network (DNN). We focus on graph neural networks (GNN), with a use case of estimating the potential energy of chemical systems (molecules…

机器学习 · 计算机科学 2022-08-26 Jay Morgan , Adeline Paiement , Christian Klinke

Effectively predicting molecular interactions has the potential to accelerate molecular dynamics by multiple orders of magnitude and thus revolutionize chemical simulations. Graph neural networks (GNNs) have recently shown great successes…

计算物理 · 物理学 2024-06-25 Johannes Gasteiger , Florian Becker , Stephan Günnemann

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

机器学习 · 计算机科学 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

We explore the feasibility of combining Graph Neural Network-based policy architectures with Deep Reinforcement Learning as an approach to problems in systems. This fits particularly well with operations on networks, which naturally take…

机器学习 · 计算机科学 2021-12-02 Oliver Hope , Eiko Yoneki

Morphological attributes from histopathological images and molecular profiles from genomic data are important information to drive diagnosis, prognosis, and therapy of cancers. By integrating these heterogeneous but complementary data, many…

机器学习 · 计算机科学 2022-02-28 Kaiwen Tan , Weixian Huang , Xiaofeng Liu , Jinlong Hu , Shoubin Dong

Geometric deep learning (GDL) models have demonstrated a great potential for the analysis of non-Euclidian data. They are developed to incorporate the geometric and topological information of non-Euclidian data into the end-to-end deep…

机器学习 · 计算机科学 2023-06-26 Cong Shen , Xiang Liu , Jiawei Luo , Kelin Xia

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…

机器学习 · 计算机科学 2024-05-21 Peiyan Zhang , Yuchen Yan , Xi Zhang , Chaozhuo Li , Senzhang Wang , Feiran Huang , Sunghun Kim

Neural networks often struggle with high-dimensional but small sample-size tabular datasets. One reason is that current weight initialisation methods assume independence between weights, which can be problematic when there are insufficient…

机器学习 · 计算机科学 2024-08-20 Andrei Margeloiu , Nikola Simidjievski , Pietro Lio , Mateja Jamnik

Network topology excels at structural predictions but fails to capture functional semantics encoded in biomedical literature. We present RAG-GNN, an end-to-end trainable retrieval-augmented graph neural network framework that integrates GNN…

分子网络 · 定量生物学 2026-05-14 Hasi Hays , William J. Richardson

Graph neural networks (GNNs) are a type of deep learning models that are trained on graphs and have been successfully applied in various domains. Despite the effectiveness of GNNs, it is still challenging for GNNs to efficiently scale to…

机器学习 · 计算机科学 2023-08-28 Yingxia Shao , Hongzheng Li , Xizhi Gu , Hongbo Yin , Yawen Li , Xupeng Miao , Wentao Zhang , Bin Cui , Lei Chen

Graph Neural Networks (GNNs) have demonstrated impressive performance in learning representations from graph-structured data. However, their message-passing mechanism inherently relies on the assumption of label consistency among connected…

机器学习 · 计算机科学 2026-04-28 Taihua Xu , Genhao Tian , Jicong Fan , Xibei Yang , Qinghua Zhang , Yun Cui

This paper studies semi-supervised graph classification, a crucial task with a wide range of applications in social network analysis and bioinformatics. Recent works typically adopt graph neural networks to learn graph-level representations…

机器学习 · 计算机科学 2023-04-25 Wei Ju , Xiao Luo , Meng Qu , Yifan Wang , Chong Chen , Minghua Deng , Xian-Sheng Hua , Ming Zhang

While deep learning has achieved great success in many fields, one common criticism about deep learning is its lack of interpretability. In most cases, the hidden units in a deep neural network do not have a clear semantic meaning or…

基因组学 · 定量生物学 2019-06-04 Tianle Ma , Aidong Zhang