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The ubiquity of machine learning, particularly deep learning, applied to graphs is evident in applications ranging from cheminformatics (drug discovery) and bioinformatics (protein interaction prediction) to knowledge graph-based query…

Databases · Computer Science 2025-02-04 Arijit Khan , Xiangyu Ke , Yinghui Wu

Graph neural networks (GNNs) have achieved extraordinary enhancements in various areas including the fields medical imaging and network neuroscience where they displayed a high accuracy in diagnosing challenging neurological disorders such…

Machine Learning · Computer Science 2022-09-14 Mehmet Yigit Balik , Arwa Rekik , Islem Rekik

Motivation: Drug combination is a sensible strategy for disease treatment by improving the efficacy and reducing concomitant side effects. Due to the large number of possible combinations among candidate compounds, exhaustive screening is…

Quantitative Methods · Quantitative Biology 2020-02-26 Liang Yu , Mingfei Xia , Lin Gao

Relation-aware graph structure embedding is promising for predicting multi-relational drug-drug interactions (DDIs). Typically, most existing methods begin by constructing a multi-relational DDI graph and then learning relation-aware graph…

Machine Learning · Computer Science 2023-08-21 Mengying Jiang , Guizhong Liu , Biao Zhao , Yuanchao Su , Weiqiang Jin

Peptides offer great biomedical potential and serve as promising drug candidates. Currently, the majority of approved peptide drugs are directly derived from well-explored natural human peptides. It is quite necessary to utilize advanced…

Biomolecules · Quantitative Biology 2024-01-29 Yipin Lei , Xu Wang , Meng Fang , Han Li , Xiang Li , Jianyang Zeng

Many previous studies aim to augment collaborative filtering with deep neural network techniques, so as to achieve better recommendation performance. However, most existing deep learning-based recommender systems are designed for modeling…

Information Retrieval · Computer Science 2022-03-29 Lianghao Xia , Chao Huang , Yong Xu , Peng Dai , Mengyin Lu , Liefeng Bo

Multimodal recommendation enhances ranking by integrating user-item interactions with item content, which is particularly effective under sparse feedback and long-tail distributions. However, multimodal signals are inherently heterogeneous…

Artificial Intelligence · Computer Science 2026-02-27 Ji Dai , Quan Fang , Dengsheng Cai

Recently, Geometric Deep Learning (GDL) has been introduced as a novel and versatile framework for computer-aided disease classification. GDL uses patient meta-information such as age and gender to model patient cohort relations in a graph…

Machine Learning · Computer Science 2020-05-05 Hendrik Burwinkel , Anees Kazi , Gerome Vivar , Shadi Albarqouni , Guillaume Zahnd , Nassir Navab , Seyed-Ahmad Ahmadi

Dementia is a progressive neurodegenerative disorder with multiple etiologies, including Alzheimer's disease, Parkinson's disease, frontotemporal dementia, and vascular dementia. Its clinical and biological heterogeneity makes diagnosis and…

Machine Learning · Computer Science 2025-09-24 Niharika Tewari , Nguyen Linh Dan Le , Mujie Liu , Jing Ren , Ziqi Xu , Tabinda Sarwar , Veeky Baths , Feng Xia

Effective biomedical literature retrieval (BLR) plays a central role in precision medicine informatics. In this paper, we propose GRAPHENE, which is a deep learning based framework for precise BLR. GRAPHENE consists of three main different…

Information Retrieval · Computer Science 2019-11-22 Sendong Zhao , Chang Su , Andrea Sboner , Fei Wang

Graph Neural Network (GNN) based recommender systems have been attracting more and more attention in recent years due to their excellent performance in accuracy. Representing user-item interactions as a bipartite graph, a GNN model…

Information Retrieval · Computer Science 2022-11-29 Liangwei Yang , Shengjie Wang , Yunzhe Tao , Jiankai Sun , Xiaolong Liu , Philip S. Yu , Taiqing Wang

Drug-Drug Interactions (DDIs) may hamper the functionalities of drugs, and in the worst scenario, they may lead to adverse drug reactions (ADRs). Predicting all DDIs is a challenging and critical problem. Most existing computational models…

Quantitative Methods · Quantitative Biology 2023-04-19 Khaled Mohammed Saifuddin , Briana Bumgardner , Farhan Tanvir , Esra Akbas

Diabetes remains a significant health challenge globally, contributing to severe complications like kidney disease, vision loss, and heart issues. The application of machine learning (ML) in healthcare enables efficient and accurate disease…

Machine Learning · Computer Science 2025-05-13 Mahade Hasan , Farhana Yasmin

In many cutting-edge applications, high-fidelity computational models prove to be too slow for practical use and are therefore replaced by much faster surrogate models. Recently, deep learning techniques have increasingly been utilized to…

Machine Learning · Computer Science 2024-04-03 Saurabh Deshpande , Stéphane P. A. Bordas , Jakub Lengiewicz

Predicting the interaction between a compound and a target is crucial for rapid drug repurposing. Deep learning has been successfully applied in drug-target affinity (DTA) problem. However, previous deep learning-based methods ignore…

Machine Learning · Computer Science 2020-09-29 Tri Minh Nguyen , Thin Nguyen , Thao Minh Le , Truyen Tran

The prediction modeling of drug-target interactions is crucial to drug discovery and design, which has seen rapid advancements owing to deep learning technologies. Recently developed methods, such as those based on graph neural networks…

Quantitative Methods · Quantitative Biology 2025-11-19 Xinnan Zhang , Jialin Wu , Junyi Xie , Tianlong Chen , Kaixiong Zhou

Clinical risk prediction using electronic health records (EHRs) is vital to facilitate timely interventions and clinical decision support. However, modeling heterogeneous and irregular temporal EHR data presents significant challenges. We…

Machine Learning · Computer Science 2025-11-04 Kun-Wei Lin , Yu-Chen Kuo , Hsin-Yao Wang , Yi-Ju Tseng

Aggregating pharmaceutical data in the drug-target interaction (DTI) domain has the potential to deliver life-saving breakthroughs. It is, however, notoriously difficult due to regulatory constraints and commercial interests. This work…

Machine Learning · Computer Science 2023-10-19 Gianluca Mittone , Filip Svoboda , Marco Aldinucci , Nicholas D. Lane , Pietro Lio

With the advances of data-driven machine learning research, a wide variety of prediction problems have been tackled. It has become critical to explore how machine learning and specifically deep learning methods can be exploited to analyse…

Machine Learning · Computer Science 2021-11-09 David Ahmedt-Aristizabal , Mohammad Ali Armin , Simon Denman , Clinton Fookes , Lars Petersson

We introduce a framework for AI-based medical consultation system with knowledge graph embedding and reinforcement learning components and its implement. Our implement of this framework leverages knowledge organized as a graph to have…

Machine Learning · Computer Science 2021-08-31 Yining Huang , Meilian Chen , Keke Tang