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Biomedical information graphs are crucial for interaction discovering of biomedical information in modern age, such as identification of multifarious molecular interactions and drug discovery, which attracts increasing interests in…

机器学习 · 计算机科学 2024-02-20 Zecheng Yin

Diabetes is a worldwide health issue affecting millions of people. Machine learning methods have shown promising results in improving diabetes prediction, particularly through the analysis of diverse data types, namely gene expression data.…

机器学习 · 计算机科学 2024-04-24 Rita T. Sousa , Heiko Paulheim

Graph Neural Networks (GNNs) have attracted increasing attention in recent years and have achieved excellent performance in semi-supervised node classification tasks. The success of most GNNs relies on one fundamental assumption, i.e., the…

机器学习 · 计算机科学 2024-12-03 Junchao Lin , Yuan Wan , Jingwen Xu , Xingchen Qi

Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

机器学习 · 计算机科学 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

In the treatment of complex diseases, treatment regimens using a single drug often yield limited efficacy and can lead to drug resistance. In contrast, combination drug therapies can significantly improve therapeutic outcomes through…

机器学习 · 计算机科学 2026-04-24 Jiyan Song , Wenyang Wang , Chengcheng Yan , Zhiquan Han , Feifei Zhao

The recent development of high-throughput sequencing creates a large collection of multi-omics data, which enables researchers to better investigate cancer molecular profiles and cancer taxonomy based on molecular subtypes. Integrating…

基因组学 · 定量生物学 2024-01-25 Bingjun Li , Sheida Nabavi

Identifying cancer driver genes (CDGs) is essential for understanding cancer mechanisms and developing targeted therapies. Graph neural networks (GNNs) have recently been employed to identify CDGs by capturing patterns in biological…

基因组学 · 定量生物学 2025-10-09 Bang Chen , Lijun Guo , Houli Fan , Wentao He , Rong Zhang

Knowledge graphs (KGs), as structured representations of real world facts, are intelligent databases incorporating human knowledge that can help machine imitate the way of human problem solving. However, KGs are usually huge and there are…

机器学习 · 计算机科学 2023-06-27 Haotian Li , Hongri Liu , Yao Wang , Guodong Xin , Yuliang Wei

Leveraging domain knowledge including fingerprints and functional groups in molecular representation learning is crucial for chemical property prediction and drug discovery. When modeling the relation between graph structure and molecular…

机器学习 · 计算机科学 2021-03-25 Yin Fang , Haihong Yang , Xiang Zhuang , Xin Shao , Xiaohui Fan , Huajun Chen

Graph-based semi-supervised learning, which can exploit the connectivity relationship between labeled and unlabeled data, has been shown to outperform the state-of-the-art in many artificial intelligence applications. One of the most…

机器学习 · 计算机科学 2022-01-28 Jianpeng Liao , Qian Tao , Jun Yan

The embedding of Biomedical Knowledge Graphs (BKGs) generates robust representations, valuable for a variety of artificial intelligence applications, including predicting drug combinations and reasoning disease-drug relationships.…

数据库 · 计算机科学 2023-10-17 Zhiguang Fan , Yuedong Yang , Mingyuan Xu , Hongming Chen

This paper explores how graph neural networks (GNNs) can be used to enhance visual scene understanding and surgical skill assessment. By using GNNs to analyze the complex visual data of surgical procedures represented as graph structures,…

计算机视觉与模式识别 · 计算机科学 2023-08-28 Shuja Khalid , Frank Rudzicz

Recently, numerous deep models have been proposed to enhance the performance of multivariate time series (MTS) forecasting. Among them, Graph Neural Networks (GNNs)-based methods have shown great potential due to their capability to…

机器学习 · 计算机科学 2025-09-30 Jingqi Xu , Guibin Chen , Jingxi Lu , Yuzhang Lin

Knowledge graphs are structured representations of facts in a graph, where nodes represent entities and edges represent relationships between them. Recent research has resulted in the development of several large KGs. However, all of them…

计算与语言 · 计算机科学 2020-04-17 Shikhar Vashishth

Background: Computational drug repurposing is a cost- and time-efficient approach that aims to identify new therapeutic targets or diseases (indications) of existing drugs/compounds. It is especially critical for emerging and/or orphan…

定量方法 · 定量生物学 2023-04-26 Chunyu Ma , Zhihan Zhou , Han Liu , David Koslicki

Entity alignment aims to use pre-aligned seed pairs to find other equivalent entities from different knowledge graphs (KGs) and is widely used in graph fusion-related fields. However, as the scale of KGs increases, manually annotating…

计算与语言 · 计算机科学 2025-03-28 Tao Meng , Shuo Shan , Hongen Shao , Yuntao Shou , Wei Ai , Keqin Li

Graph Neural Networks (GNNs) are powerful techniques in representation learning for graphs and have been increasingly deployed in a multitude of different applications that involve node- and graph-wise tasks. Most existing studies solve…

人工智能 · 计算机科学 2022-03-21 Zhiqiang Zhong , Cheng-Te Li , Jun Pang

Adverse drug-drug interactions~(DDIs) can compromise the effectiveness of concurrent drug administration, posing a significant challenge in healthcare. As the development of new drugs continues, the potential for unknown adverse effects…

计算与语言 · 计算机科学 2024-03-14 Fangqi Zhu , Yongqi Zhang , Lei Chen , Bing Qin , Ruifeng Xu

Graph neural networks are increasingly applied to multimodal medical diagnosis for their inherent relational modeling capabilities. However, their efficacy is often compromised by the prevailing reliance on a single, static graph built from…

计算机视觉与模式识别 · 计算机科学 2025-12-24 Ziwei Qin , Xuhui Song , Deqing Huang , Na Qin , Jun Li

Graph neural networks (GNNs) are powerful graph-based deep-learning models that have gained significant attention and demonstrated remarkable performance in various domains, including natural language processing, drug discovery, and…

机器学习 · 计算机科学 2023-06-06 Jaykumar Kakkad , Jaspal Jannu , Kartik Sharma , Charu Aggarwal , Sourav Medya