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Adverse Drug Reaction (ADR) is a significant public health concern world-wide. Numerous graph-based methods have been applied to biomedical graphs for predicting ADRs in pre-marketing phases. ADR detection in post-market surveillance is no…

Machine Learning · Computer Science 2020-04-02 Heeyoung Kwak , Minwoo Lee , Seunghyun Yoon , Jooyoung Chang , Sangmin Park , Kyomin Jung

Intensive Care Units (ICU) require comprehensive patient data integration for enhanced clinical outcome predictions, crucial for assessing patient conditions. Recent deep learning advances have utilized patient time series data, and fusion…

Machine Learning · Computer Science 2023-11-14 Samyak Jain , Manuel Burger , Gunnar Rätsch , Rita Kuznetsova

Graph neural networks (GNNs) have emerged as one of the most effective ML techniques for drug effect prediction from drug molecular graphs. Despite having immense potential, GNN models lack performance when using datasets that contain…

Machine Learning · Computer Science 2024-10-15 Avishek Bose , Guojing Cong

Electronic Health Records (EHR) systematically organize patient health data through standardized medical codes, serving as a comprehensive and invaluable source for predictive modeling. Graph neural networks (GNNs) have demonstrated…

Machine Learning · Computer Science 2025-08-29 Haiyan Wang , Ye Yuan

Electrocardiogram (ECG) signals play critical roles in the clinical screening and diagnosis of many types of cardiovascular diseases. Despite deep neural networks that have been greatly facilitated computer-aided diagnosis (CAD) in many…

Machine Learning · Computer Science 2021-05-31 Jingyi Liu , Zhongyu Li , Xiayue Fan , Jintao Yan , Bolin Li , Xuemeng Hu , Qing Xia , Yue Wu

Graph contrastive learning (GCL) has emerged as a state-of-the-art strategy for learning representations of diverse graphs including social and biomedical networks. GCL widely uses stochastic graph topology augmentation, such as uniform…

Machine Learning · Computer Science 2024-02-22 Yucheng Wu , Leye Wang , Xiao Han , Han-Jia Ye

Interference between pharmacological substances can cause serious medical injuries. Correctly predicting so-called drug-drug interactions (DDI) does not only reduce these cases but can also result in a reduction of drug development cost.…

Machine Learning · Computer Science 2019-08-06 Md. Rezaul Karim , Michael Cochez , Joao Bosco Jares , Mamtaz Uddin , Oya Beyan , Stefan Decker

Medical image interpretation using deep learning has shown promise but often requires extensive expert-annotated datasets. To reduce this annotation burden, we develop an Image-Graph Contrastive Learning framework that pairs chest X-rays…

Image and Video Processing · Electrical Eng. & Systems 2024-05-17 Sameer Khanna , Daniel Michael , Marinka Zitnik , Pranav Rajpurkar

Accurate prediction of drug target interactions is critical for accelerating drug discovery and elucidating complex biological mechanisms. In this work, we frame drug target prediction as a link prediction task on heterogeneous biomedical…

Computation and Language · Computer Science 2025-03-12 Haji Gul , Abdul Ghani Naim , Ajaz Ahmad Bhat

Understanding how small molecules perturb gene expression is essential for uncovering drug mechanisms, predicting off-target effects, and identifying repurposing opportunities. While prior deep learning frameworks have integrated multimodal…

Machine Learning · Computer Science 2026-01-01 Pascal Passigan , Kevin Zhu , Angelina Ning

Deep learning methods exhibit promising performance for predictive modeling in healthcare, but two important challenges remain: -Data insufficiency:Often in healthcare predictive modeling, the sample size is insufficient for deep learning…

Machine Learning · Computer Science 2017-04-04 Edward Choi , Mohammad Taha Bahadori , Le Song , Walter F. Stewart , Jimeng Sun

Advancements in technologies related to working with omics data require novel computation methods to fully leverage information and help develop a better understanding of human diseases. This paper studies the effects of introducing graph…

Genomics · Quantitative Biology 2023-10-17 Nishant Rajadhyaksha , Aarushi Chitkara

The study of molecule-target interaction is quite important for drug discovery in terms of target identification, hit identification, pathway study, drug-drug interaction, etc. Most existing methodologies utilize either biomedical network…

Machine Learning · Computer Science 2023-02-07 Jinjiang Guo , Jie Li

Multi-scale biomedical knowledge networks are expanding with emerging experimental technologies that generates multi-scale biomedical big data. Link prediction is increasingly used especially in bipartite biomedical networks to identify…

Social and Information Networks · Computer Science 2022-02-25 Jinjiang Guo , Jie Li , Dawei Leng , Lurong Pan

Molecular Machine Learning (ML) bears promise for efficient molecule property prediction and drug discovery. However, labeled molecule data can be expensive and time-consuming to acquire. Due to the limited labeled data, it is a great…

Machine Learning · Computer Science 2022-04-01 Yuyang Wang , Jianren Wang , Zhonglin Cao , Amir Barati Farimani

Most existing methods for predicting drug-drug interactions (DDI) predominantly concentrate on capturing the explicit relationships among drugs, overlooking the valuable implicit correlations present between drug pairs (DPs), which leads to…

Machine Learning · Computer Science 2024-02-29 Mengying Jiang , Guizhong Liu , Yuanchao Su , Weiqiang Jin , Biao Zhao

Representation learning provides new and powerful graph analytical approaches and tools for the highly valued data science challenge of mining knowledge graphs. Since previous graph analytical methods have mostly focused on homogeneous…

Information Retrieval · Computer Science 2019-05-29 Zheng Gao , Gang Fu , Chunping Ouyang , Satoshi Tsutsui , Xiaozhong Liu , Jeremy Yang , Christopher Gessner , Brian Foote , David Wild , Qi Yu , Ying Ding

How to produce expressive molecular representations is a fundamental challenge in AI-driven drug discovery. Graph neural network (GNN) has emerged as a powerful technique for modeling molecular data. However, previous supervised approaches…

Machine Learning · Computer Science 2020-12-22 Pengyong Li , Jun Wang , Yixuan Qiao , Hao Chen , Yihuan Yu , Xiaojun Yao , Peng Gao , Guotong Xie , Sen Song

Leveraging knowledge from electronic health records (EHRs) to predict a patient's condition is essential to the effective delivery of appropriate care. Clinical notes of patient EHRs contain valuable information from healthcare…

Computation and Language · Computer Science 2023-05-18 Nayeon Kim , Yinhua Piao , Sun Kim

In the past decade, with the development of big data technology, an increasing amount of patient information has been stored as electronic health records (EHRs). Leveraging these data, various doctor recommendation systems have been…

Information Retrieval · Computer Science 2022-07-14 Luning Bi , Yunlong Wang , Fan Zhang , Zhuqing Liu , Yong Cai , Emily Zhao