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相关论文: Graph Diffusion Network for Drug-Gene Prediction

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Heterogeneous graph neural networks (HGNNs) have attracted increasing research interest in recent three years. Most existing HGNNs fall into two classes. One class is meta-path-based HGNNs which either require domain knowledge to handcraft…

机器学习 · 计算机科学 2022-09-02 Nan Wu , Chaofan Wang

Many real-world graphs (networks) are heterogeneous with different types of nodes and edges. Heterogeneous graph embedding, aiming at learning the low-dimensional node representations of a heterogeneous graph, is vital for various…

社会与信息网络 · 计算机科学 2021-12-15 Wentao Xu , Yingce Xia , Weiqing Liu , Jiang Bian , Jian Yin , Tie-Yan Liu

Thanks to the increasing availability of drug-drug interactions (DDI) datasets and large biomedical knowledge graphs (KGs), accurate detection of adverse DDI using machine learning models becomes possible. However, it remains largely an…

机器学习 · 计算机科学 2021-05-10 Yue Yu , Kexin Huang , Chao Zhang , Lucas M. Glass , Jimeng Sun , Cao Xiao

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

Molecular representation learning has shown great success in advancing AI-based drug discovery. The core of many recent works is based on the fact that the 3D geometric structure of molecules provides essential information about their…

机器学习 · 计算机科学 2024-10-23 Jiying Zhang , Zijing Liu , Yu Wang , Yu Li

Polypharmacy, defined as the use of multiple drugs together, is a standard treatment method, especially for severe and chronic diseases. However, using multiple drugs together may cause interactions between drugs. Drug-drug interaction…

机器学习 · 计算机科学 2022-07-13 Farhan Tanvir , Khaled Mohammed Saifuddin , Esra Akbas

Understanding disease similarity is critical for advancing diagnostics, drug discovery, and personalized treatment strategies. We present PhenoGnet, a novel graph-based contrastive learning framework designed to predict disease similarity…

基因组学 · 定量生物学 2025-09-18 Ranga Baminiwatte , Kazi Jewel Rana , Aaron J. Masino

Graph Neural Networks (GNNs) have received much attention in the graph deep learning domain. However, recent research empirically and theoretically shows that deep GNNs suffer from over-fitting and over-smoothing problems. The usual…

机器学习 · 计算机科学 2022-09-05 Chuxiong Sun , Jie Hu , Hongming Gu , Jinpeng Chen , Mingchuan Yang

Graph-based neural network models are gaining traction in the field of representation learning due to their ability to uncover latent topological relationships between entities that are otherwise challenging to identify. These models have…

图像与视频处理 · 电气工程与系统科学 2023-07-25 Aryan Singh , Pepijn Van de Ven , Ciarán Eising , Patrick Denny

Graph neural networks (GNNs) have been successfully applied in many structured data domains, with applications ranging from molecular property prediction to the analysis of social networks. Motivated by the broad applicability of GNNs, we…

机器学习 · 计算机科学 2021-10-12 Clemens Damke , Eyke Hüllermeier

Predicting interactions among heterogenous graph structured data has numerous applications such as knowledge graph completion, recommendation systems and drug discovery. Often times, the links to be predicted belong to rare types such as…

机器学习 · 计算机科学 2020-07-21 Vassilis N. Ioannidis , Da Zheng , George Karypis

Domain generalization on graphs aims to develop models with robust generalization capabilities, ensuring effective performance on the testing set despite disparities between testing and training distributions. However, existing methods…

机器学习 · 计算机科学 2024-11-21 Qin Tian , Chen Zhao , Minglai Shao , Wenjun Wang , Yujie Lin , Dong Li

Graph neural networks (GNNs) and heterogeneous graph neural networks (HGNNs) are prominent techniques for homogeneous and heterogeneous graph representation learning, yet their performance in an end-to-end supervised framework greatly…

机器学习 · 计算机科学 2024-08-27 Xingtong Yu , Yuan Fang , Zemin Liu , Xinming Zhang

Graph neural networks (GNNs) provide powerful insights for brain neuroimaging technology from the view of graphical networks. However, most existing GNN-based models assume that the neuroimaging-produced brain connectome network is a…

机器学习 · 计算机科学 2022-09-30 Gen Shi , Yifan Zhu , Wenjin Liu , Quanming Yao , Xuesong Li

Traffic forecasting approaches are critical to developing adaptive strategies for mobility. Traffic patterns have complex spatial and temporal dependencies that make accurate forecasting on large highway networks a challenging task.…

机器学习 · 计算机科学 2020-07-23 Tanwi Mallick , Prasanna Balaprakash , Eric Rask , Jane Macfarlane

Graph Neural Networks (GNNs) are an emerging research field. This specialized Deep Neural Network (DNN) architecture is capable of processing graph structured data and bridges the gap between graph processing and Deep Learning (DL). As…

分布式、并行与集群计算 · 计算机科学 2023-05-24 Jana Vatter , Ruben Mayer , Hans-Arno Jacobsen

Elucidating and accurately predicting the druggability and bioactivities of molecules plays a pivotal role in drug design and discovery and remains an open challenge. Recently, graph neural networks (GNN) have made remarkable advancements…

机器学习 · 计算机科学 2022-08-31 Weimin Zhu , Yi Zhang , DuanCheng Zhao , Jianrong Xu , Ling Wang

Given a signed social graph, how can we learn appropriate node representations to infer the signs of missing edges? Signed social graphs have received considerable attention to model trust relationships. Learning node representations is…

机器学习 · 计算机科学 2020-12-29 Jinhong Jung , Jaemin Yoo , U Kang

There has been a growing interest in developing diffusion-based Graph Neural Networks (GNNs), building on the connections between message passing mechanisms in GNNs and physical diffusion processes. However, existing methods suffer from…

机器学习 · 计算机科学 2025-08-18 Asela Hevapathige , Asiri Wijesinghe , Ahad N. Zehmakan

Graph convolution is the core of most Graph Neural Networks (GNNs) and usually approximated by message passing between direct (one-hop) neighbors. In this work, we remove the restriction of using only the direct neighbors by introducing a…

社会与信息网络 · 计算机科学 2022-04-06 Johannes Gasteiger , Stefan Weißenberger , Stephan Günnemann