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Heterogeneous graph learning aims to capture complex relationships and diverse relational semantics among entities in a heterogeneous graph to obtain meaningful representations for nodes and edges. Recent advancements in heterogeneous graph…

Computation and Language · Computer Science 2024-05-21 Jiabin Tang , Yuhao Yang , Wei Wei , Lei Shi , Long Xia , Dawei Yin , Chao Huang

Understanding mechanistic relationships among genes and their impacts on biological pathways is essential for elucidating disease mechanisms and advancing precision medicine. Despite the availability of extensive molecular interaction and…

Molecular Networks · Quantitative Biology 2026-03-24 Fujian Jia , Jiwen Gu , Cheng Lu , Dezhi Zhao , Mengjiang Huang , Yuanzhi Lu , Xin Liu , Kang Liu

Drug-target relationships may now be predicted computationally using bioinformatics data, which is a valuable tool for understanding pharmacological effects, enhancing drug development efficiency, and advancing related research. A number of…

Machine Learning · Computer Science 2024-07-16 Yuhuan Zhou , Yulin Wu , Weiwei Yuan , Xuan Wang , Junyi Li

The paper utilizes the graph embeddings generated for entities of a large biomedical database to perform link prediction to capture various new relationships among different entities. A novel node similarity measure is proposed that…

Information Retrieval · Computer Science 2021-11-01 Prakhar Gurawa , Matthias Nickles

Graph deep learning (GDL) has demonstrated impressive performance in predicting population-based brain disorders (BDs) through the integration of both imaging and non-imaging data. However, the effectiveness of GDL based methods heavily…

Computer Vision and Pattern Recognition · Computer Science 2025-03-31 Luhui Cai , Weiming Zeng , Hongyu Chen , Hua Zhang , Yueyang Li , Yu Feng , Hongjie Yan , Lingbin Bian , Wai Ting Siok , Nizhuan Wang

Disease diagnosis on chest X-ray images is a challenging multi-label classification task. Previous works generally classify the diseases independently on the input image without considering any correlation among diseases. However, such…

Computer Vision and Pattern Recognition · Computer Science 2020-03-02 Daizong Liu , Shuangjie Xu , Pan Zhou , Kun He , Wei Wei , Zichuan Xu

Recently, graph neural networks have shown the superiority of modeling the complex topological structures in heterogeneous network-based recommender systems. Due to the diverse interactions among nodes and abundant semantics emerging from…

Machine Learning · Computer Science 2022-08-04 Tiankai Gu , Chaokun Wang , Cheng Wu , Jingcao Xu , Yunkai Lou , Changping Wang , Kai Xu , Can Ye , Yang Song

Proteins play a vital role in biological processes and are indispensable for living organisms. Accurate representation of proteins is crucial, especially in drug development. Recently, there has been a notable increase in interest in…

Biomolecules · Quantitative Biology 2026-05-28 Dan Kalifa , Uriel Singer , Kira Radinsky

Neural Architecture Representation Learning aims to transform network models into feature representations for predicting network attributes, playing a crucial role in deploying and designing networks for real-world applications. Recently,…

Machine Learning · Computer Science 2025-06-10 Haizhao Jing , Haokui Zhang , Zhenhao Shang , Rong Xiao , Peng Wang , Yanning Zhang

In this paper, we benchmark several existing graph neural network (GNN) models on different datasets for link predictions. In particular, the graph convolutional network (GCN), GraphSAGE, graph attention network (GAT) as well as variational…

Machine Learning · Computer Science 2021-02-26 Xing Wang , Alexander Vinel

Examining Drug-Drug Interactions (DDIs) is a pivotal element in the process of drug development. DDIs occur when one drug's properties are affected by the inclusion of other drugs. Detecting favorable DDIs has the potential to pave the way…

Machine Learning · Computer Science 2026-03-20 Azmine Toushik Wasi , Taki Hasan Rafi , Raima Islam , Serbetar Karlo , Dong-Kyu Chae

Agriculture, as the cornerstone of human civilization, constantly seeks to integrate technology for enhanced productivity and sustainability. This paper introduces $\textit{Agri-GNN}$, a novel Genotypic-Topological Graph Neural Network…

Machine Learning · Computer Science 2023-10-23 Aditya Gupta , Asheesh Singh

Accurate prediction of protein-ligand binding affinity plays a pivotal role in accelerating the discovery of novel drugs and vaccines, particularly for gastrointestinal (GI) diseases such as gastric ulcers, Crohn's disease, and ulcerative…

Machine Learning · Computer Science 2025-11-11 Ziyang Gao , Annie Cheung , Yihao Ou

Graph Neural Networks (GNN) show great promise in problems dealing with graph-structured data. One of the unique points of GNNs is their flexibility to adapt to multiple problems, which not only leads to wide applicability, but also poses…

Machine Learning · Computer Science 2022-06-17 Axel Wassington , Sergi Abadal

Graph Neural Networks (GNNs) are important across different domains, such as social network analysis and recommendation systems, due to their ability to model complex relational data. This paper introduces subgraph queries as a new task for…

Machine Learning · Computer Science 2024-08-09 Erfaneh Mahmoudzadeh , Parmis Naddaf , Kiarash Zahirnia , Oliver Schulte

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

Machine Learning · Computer Science 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera

Deep learning based approaches have been utilized to model and generate graphs subjected to different distributions recently. However, they are typically unsupervised learning based and unconditioned generative models or simply conditioned…

Machine Learning · Computer Science 2023-08-29 Shanchao Yang , Jing Liu , Kai Wu , Mingming Li

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Knowledge based dialogue systems have attracted increasing research interest in diverse applications. However, for disease diagnosis, the widely used knowledge graph is hard to represent the symptom-symptom relations and symptom-disease…

Computation and Language · Computer Science 2020-12-29 Xinyan Zhao , Liangwei Chen , Huanhuan Chen

The increase in high-dimensional multiomics data demands advanced integration models to capture the complexity of human diseases. Graph-based deep learning integration models, despite their promise, struggle with small patient cohorts and…

Machine Learning · Computer Science 2024-08-07 Sina Tabakhi , Charlotte Vandermeulen , Ian Sudbery , Haiping Lu