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Dynamic graph anomaly detection (DGAD) is essential for identifying anomalies in evolving graphs across domains such as finance, traffic, and social networks. Recently, generalist graph anomaly detection (GAD) models have shown promising…

Machine Learning · Computer Science 2025-08-04 Jialun Zheng , Jie Liu , Jiannong Cao , Xiao Wang , Hanchen Yang , Yankai Chen , Philip S. Yu

This survey paper presents a comprehensive and conceptual overview of anomaly detection using dynamic graphs. We focus on existing graph-based anomaly detection (AD) techniques and their applications to dynamic networks. The contributions…

Machine Learning · Computer Science 2024-06-04 Ocheme Anthony Ekle , William Eberle

Personalized drug response has received public awareness in recent years. How to combine gene test result and drug sensitivity records is regarded as essential in the real-world implementation. Research articles are good sources to train…

Social and Information Networks · Computer Science 2019-06-20 Shiyin Wang

Treatment effect estimation from observational data is a critical research topic across many domains. The foremost challenge in treatment effect estimation is how to capture hidden confounders. Recently, the growing availability of…

Machine Learning · Computer Science 2021-06-08 Zhixuan Chu , Stephen L. Rathbun , Sheng Li

We have created a knowledge graph based on major data sources used in ecotoxicological risk assessment. We have applied this knowledge graph to an important task in risk assessment, namely chemical effect prediction. We have evaluated nine…

Artificial Intelligence · Computer Science 2022-03-31 Erik B. Myklebust , Ernesto Jiménez-Ruiz , Jiaoyan Chen , Raoul Wolf , Knut Erik Tollefsen

Graph neural networks (GNNs) have shown impressive performance in recommender systems, particularly in collaborative filtering (CF). The key lies in aggregating neighborhood information on a user-item interaction graph to enhance user/item…

Information Retrieval · Computer Science 2024-02-22 An Zhang , Wenchang Ma , Pengbo Wei , Leheng Sheng , Xiang Wang

Recent research efforts have shown the possibility to discover anticancer drug-like molecules in food from their effect on protein-protein interaction networks, opening a potential pathway to disease-beating diet design. We formulate this…

Machine Learning · Computer Science 2020-01-17 Guadalupe Gonzalez , Shunwang Gong , Ivan Laponogov , Kirill Veselkov , Michael Bronstein

This paper addresses the problem of anomaly detection in accounting subject association structures, proposing a structured modeling and unsupervised discriminant framework based on graph neural networks. This framework is used to mine…

Machine Learning · Computer Science 2026-04-30 Yuhan Wang , Ruobing Yan , Zhe Su , Hejing Chen , Ningjing Sang , Yunfei Nie

Modeling the interactions between drugs, targets, and diseases is paramount in drug discovery and has significant implications for precision medicine and personalized treatments. Current approaches frequently consider drug-target or…

Machine Learning · Computer Science 2023-12-04 Farhan Tanvir , Khaled Mohammed Saifuddin , Tanvir Hossain , Arunkumar Bagavathi , Esra Akbas

Objective: In modern healthcare, accurately predicting diseases is a crucial matter. This study introduces a novel approach using graph neural networks (GNNs) and a Graph Transformer (GT) to predict the incidence of heart failure (HF) on a…

Machine Learning · Computer Science 2025-06-23 Heloisa Oss Boll , Ali Amirahmadi , Amira Soliman , Stefan Byttner , Mariana Recamonde-Mendoza

Preventable adverse drug reactions as a result of medical errors present a growing concern in modern medicine. As drug-drug interactions (DDIs) may cause adverse reactions, being able to extracting DDIs from drug labels into…

Computation and Language · Computer Science 2019-05-21 Tung Tran , Ramakanth Kavuluru , Halil Kilicoglu

In the last decades, people have been consuming and combining more drugs than before, increasing the number of Drug-Drug Interactions (DDIs). To predict unknown DDIs, recently, studies started incorporating Knowledge Graphs (KGs) since they…

Artificial Intelligence · Computer Science 2023-08-14 Lizzy Farrugia , Lilian M. Azzopardi , Jeremy Debattista , Charlie Abela

Graph anomaly detection has gained significant attention across various domains, particularly in critical applications like fraud detection in e-commerce platforms and insider threat detection in cybersecurity. Usually, these data are…

Machine Learning · Computer Science 2025-02-20 Lecheng Zheng , John R. Birge , Haiyue Wu , Yifang Zhang , Jingrui He

Accurately predicting drug-target interactions (DTIs) is pivotal for advancing drug discovery and target validation techniques. While machine learning approaches including those that are based on Graph Neural Networks (GNN) have achieved…

Machine Learning · Computer Science 2025-09-30 Yuehua Song , Yong Gao

Drug-drug interactions (DDIs) remain a major source of preventable harm, and many clinically important mechanisms are still unknown. Existing models either rely on pharmacologic knowledge graphs (KGs), which fail on unseen drugs, or on…

Machine Learning · Computer Science 2025-11-11 Franklin Lee , Tengfei Ma

The use of drug combinations, termed polypharmacy, is common to treat patients with complex diseases and co-existing conditions. However, a major consequence of polypharmacy is a much higher risk of adverse side effects for the patient.…

Machine Learning · Computer Science 2018-08-15 Marinka Zitnik , Monica Agrawal , Jure Leskovec

Drug synergy, characterized by the amplified combined effect of multiple drugs, is critically important for optimizing therapeutic outcomes. Limited data on drug synergy, arising from the vast number of possible drug combinations and…

Machine Learning · Computer Science 2023-11-08 Oleksii Tsepa , Bohdan Naida , Anna Goldenberg , Bo Wang

Entity interaction prediction is essential in many important applications such as chemistry, biology, material science, and medical science. The problem becomes quite challenging when each entity is represented by a complex structure,…

Machine Learning · Computer Science 2021-04-13 Hanchen Wang , Defu Lian , Ying Zhang , Lu Qin , Xuemin Lin

Off-the-shelf biomedical embeddings obtained from the recently released various pre-trained language models (such as BERT, XLNET) have demonstrated state-of-the-art results (in terms of accuracy) for the various natural language…

Computation and Language · Computer Science 2020-12-22 Ishani Mondal

In this work we present a deep learning approach to conduct hypothesis-free, transcriptomics-based matching of drugs for diseases. Our proposed neural network architecture is trained on approved drug-disease indications, taking as input the…

Genomics · Quantitative Biology 2023-03-22 Yannis Papanikolaou , Francesco Tuveri , Misa Ogura , Daniel O'Donovan