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The polypharmacy side effect prediction problem considers cases in which two drugs taken individually do not result in a particular side effect; however, when the two drugs are taken in combination, the side effect manifests. In this work,…

Databases · Computer Science 2018-10-23 Brandon Malone , Alberto García-Durán , Mathias Niepert

In this paper, we present an iterative graph-based approach for the detection of symptoms of COVID-19, the pathology of which seems to be evolving. More generally, the method can be applied to finding context-specific words and texts (e.g.…

Computation and Language · Computer Science 2020-11-10 Roshan Santosh , H. Andrew Schwartz , Johannes C. Eichstaedt , Lyle H. Ungar , Sharath C. Guntuku

Graph Anomaly Detection (GAD) is a challenging and practical research topic where Graph Neural Networks (GNNs) have recently shown promising results. The effectiveness of existing GNNs in GAD has been mainly attributed to the simultaneous…

Machine Learning · Computer Science 2024-10-25 Jiashun Cheng , Zinan Zheng , Yang Liu , Jianheng Tang , Hongwei Wang , Yu Rong , Jia Li , Fugee Tsung

Drug repurposing has historically been an economically infeasible process for identifying novel uses for abandoned drugs. Modern machine learning has enabled the identification of complex biochemical intricacies in candidate drugs; however,…

Machine Learning · Computer Science 2025-09-16 Luke Delzer , Robert Kroleski , Ali K. AlShami , Jugal Kalita

Change-point detection (CPD) aims to detect abrupt changes over time series data. Intuitively, effective CPD over multivariate time series should require explicit modeling of the dependencies across input variables. However, existing CPD…

Machine Learning · Computer Science 2020-09-15 Ruohong Zhang , Yu Hao , Donghan Yu , Wei-Cheng Chang , Guokun Lai , Yiming Yang

Brain graphs (i.e, connectomes) constructed from medical scans such as magnetic resonance imaging (MRI) have become increasingly important tools to characterize the abnormal changes in the human brain. Due to the high acquisition cost and…

Machine Learning · Computer Science 2021-05-07 Alaa Bessadok , Mohamed Ali Mahjoub , Islem Rekik

To date, there are no effective treatments for most neurodegenerative diseases. Knowledge graphs can provide comprehensive and semantic representation for heterogeneous data, and have been successfully leveraged in many biomedical…

Artificial Intelligence · Computer Science 2022-11-30 Yi Nian , Xinyue Hu , Rui Zhang , Jingna Feng , Jingcheng Du , Fang Li , Yong Chen , Cui Tao

The comorbidities of hypertension impose a heavy burden on patients and society. Early identification is necessary to prompt intervention, but it remains a challenging task. This study aims to address this challenge by combining joint graph…

Machine Learning · Computer Science 2025-06-13 Leming Zhou , Zuo Wang , Zhixuan Duan

The insufficient supervision limit the performance of the deep supervised models for brain disease diagnosis. It is important to develop a learning framework that can capture more information in limited data and insufficient supervision. To…

Neurons and Cognition · Quantitative Biology 2024-10-10 Wenjing Gao , Yuanyuan Yang , Jianrui Wei , Xuntao Yin , Xinhan Di

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

Graph anomaly detection on attributed networks has become a prevalent research topic due to its broad applications in many influential domains. In real-world scenarios, nodes and edges in attributed networks usually display distinct…

Social and Information Networks · Computer Science 2022-08-18 Shujie Yang , Binchi Zhang , Shangbin Feng , Zhaoxuan Tan , Qinghua Zheng , Jun Zhou , Minnan Luo

Anomaly detection aims to distinguish abnormal instances that deviate significantly from the majority of benign ones. As instances that appear in the real world are naturally connected and can be represented with graphs, graph neural…

Machine Learning · Computer Science 2023-05-24 Sheng Tian , Jihai Dong , Jintang Li , Wenlong Zhao , Xiaolong Xu , Baokun wang , Bowen Song , Changhua Meng , Tianyi Zhang , Liang Chen

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

The mining of adverse drug events (ADEs) is pivotal in pharmacovigilance, enhancing patient safety by identifying potential risks associated with medications, facilitating early detection of adverse events, and guiding regulatory…

Artificial Intelligence · Computer Science 2024-10-04 Pranab Sahoo , Ayush Kumar Singh , Sriparna Saha , Aman Chadha , Samrat Mondal

Graph anomaly detection (GAD) has attracted increasing attention in machine learning and data mining. Recent works have mainly focused on how to capture richer information to improve the quality of node embeddings for GAD. Despite their…

Machine Learning · Computer Science 2023-10-03 Jingcan Duan , Pei Zhang , Siwei Wang , Jingtao Hu , Hu Jin , Jiaxin Zhang , Haifang Zhou , Xinwang Liu

This paper studies the problem of detecting anomalous graphs using a machine learning model trained on only normal graphs, which has many applications in molecule, biology, and social network data analysis. We present a self-discriminative…

Machine Learning · Computer Science 2023-10-11 Jinyu Cai , Yunhe Zhang , Jicong Fan

Drug side effects are a major global health concern, necessitating advanced methods for their accurate detection and analysis. While Large Language Models (LLMs) offer promising conversational interfaces, their inherent limitations,…

Information Retrieval · Computer Science 2025-07-21 Shad Nygren , Pinar Avci , Andre Daniels , Reza Rassol , Afshin Beheshti , Diego Galeano

Graph-level anomaly detection (GLAD) has already gained significant importance and has become a popular field of study, attracting considerable attention across numerous downstream works. The core focus of this domain is to capture and…

Machine Learning · Computer Science 2024-07-17 Zitong Wang , Xuexiong Luo , Enfeng Song , Qiuqing Bai , Fu Lin

Accumulated clinical studies show that microbes living in humans interact closely with human hosts, and get involved in modulating drug efficacy and drug toxicity. Microbes have become novel targets for the development of antibacterial…

Quantitative Methods · Quantitative Biology 2021-08-16 Lei Deng , Yibiao Huang , Xuejun Liu , Hui Liu

Drug target identification is of significant commercial interest to pharmaceutical companies, and there is a vast amount of research done related to the topic of therapeutic target identification. Interdisciplinary research in this area…

Molecular Networks · Quantitative Biology 2013-07-30 Reka Albert , Bhaskar DasGupta , Nasim Mobasheri
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