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The paper utilizes the graph embeddings generated for entities of a large biomedical database to perform link prediction to capture various new relationships among different entities. A novel node similarity measure is proposed that…

Information Retrieval · Computer Science 2021-11-01 Prakhar Gurawa , Matthias Nickles

Predicting medications is a crucial task in many intelligent healthcare systems. It can assist doctors in making informed medication decisions for patients according to electronic medical records (EMRs). However, medication prediction is a…

Artificial Intelligence · Computer Science 2022-05-02 Yang An , Bo Jin , Xiaopeng Wei

Predicting drug side-effects before they occur is a key task in keeping the number of drug-related hospitalizations low and to improve drug discovery processes. Automatic predictors of side-effects generally are not able to process the…

Machine Learning · Statistics 2022-12-01 Pietro Bongini , Elisa Messori , Niccolò Pancino , Monica Bianchini

Affinity graphs are widely used in deep architectures, including graph convolutional neural networks and attention networks. Thus far, the literature has focused on abstracting features from such graphs, while the learning of the affinities…

Computer Vision and Pattern Recognition · Computer Science 2020-03-23 Chu Wang , Babak Samari , Vladimir G. Kim , Siddhartha Chaudhuri , Kaleem Siddiqi

Adverse drug events (ADEs) are an important aspect of drug safety. Various texts such as biomedical literature, drug reviews, and user posts on social media and medical forums contain a wealth of information about ADEs. Recent studies have…

Computation and Language · Computer Science 2024-05-21 Shaoxiong Ji , Ya Gao , Pekka Marttinen

Drug-target interaction is fundamental in understanding how drugs affect biological systems, and accurately predicting drug-target affinity (DTA) is vital for drug discovery. Recently, deep learning methods have emerged as a significant…

Machine Learning · Computer Science 2024-12-30 Minghui Li , Zikang Guo , Yang Wu , Peijin Guo , Yao Shi , Shengshan Hu , Wei Wan , Shengqing Hu

The drug discovery stage is a vital aspect of the drug development process and forms part of the initial stages of the development pipeline. In recent times, machine learning-based methods are actively being used to model drug-target…

Machine Learning · Computer Science 2020-09-02 Brighter Agyemang , Wei-Ping Wu , Michael Yelpengne Kpiebaareh , Zhihua Lei , Ebenezer Nanor , Lei Chen

Interacting and understanding with text heavy visual content with multiple images is a major challenge for traditional vision models. This paper is on enhancing vision models' capability to comprehend or understand and learn from images…

Computer Vision and Pattern Recognition · Computer Science 2024-08-31 Adithya TG , Adithya SK , Abhinav R Bharadwaj , Abhiram HA , Surabhi Narayan

Autoencoders are effective deep learning models that can function as generative models and learn latent representations for downstream tasks. The use of graph autoencoders - with both encoder and decoder implemented as message passing…

Machine Learning · Computer Science 2025-03-04 Magnus Cunow , Gerrit Großmann

The widespread application of Electronic Health Records (EHR) data in the medical field has led to early successes in disease risk prediction using deep learning methods. These methods typically require extensive data for training due to…

Machine Learning · Computer Science 2024-11-28 Shibo Li , Hengliang Cheng , Weihua Li

We introduce a novel and interpretable path-based music similarity measure. Our similarity measure assumes that items, such as songs and artists, and information about those items are represented in a knowledge graph. We find paths in the…

Information Retrieval · Computer Science 2021-08-05 Giovanni Gabbolini , Derek Bridge

In the study of drug function and precision medicine, identifying new drug-microbe associations is crucial. However, current methods isolate association and similarity analysis of drug and microbe, lacking effective inter-view optimization…

Machine Learning · Computer Science 2025-06-24 Xin An , Ruijie Li , Qiao Ning , Shikai Guo , Hui Li , Qian Ma

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…

Machine Learning · Computer Science 2026-04-24 Jiyan Song , Wenyang Wang , Chengcheng Yan , Zhiquan Han , Feifei Zhao

Background: Discovering potential drug-drug interactions (DDIs) is a long-standing challenge in clinical treatments and drug developments. Recently, deep learning techniques have been developed for DDI prediction. However, they generally…

Machine Learning · Computer Science 2024-03-20 Yaqing Wang , Zaifei Yang , Quanming Yao

Drug discovery remains a slow and expensive process that involves many steps, from detecting the target structure to obtaining approval from the Food and Drug Administration (FDA), and is often riddled with safety concerns. Accurate…

Quantitative Methods · Quantitative Biology 2025-08-22 Ali Vefghi , Zahed Rahmati , Mohammad Akbari

Integrating heterogeneous biomedical data including imaging, omics, and clinical records supports accurate diagnosis and personalised care. Graph-based models fuse such non-Euclidean data by capturing spatial and relational structure, yet…

Genomics · Quantitative Biology 2025-05-06 Alireza Sadeghi , Farshid Hajati , Ahmadreza Argha , Nigel H Lovell , Min Yang , Hamid Alinejad-Rokny

In many applications involving multi-media data, the definition of similarity between items is integral to several key tasks, e.g., nearest-neighbor retrieval, classification, and recommendation. Data in such regimes typically exhibits…

Artificial Intelligence · Computer Science 2010-09-01 Brian McFee , Gert Lanckriet

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

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

Recent advancements in medicine have confirmed that brain disorders often comprise multiple subtypes of mechanisms, developmental trajectories, or severity levels. Such heterogeneity is often associated with demographic aspects (e.g., sex)…

Image and Video Processing · Electrical Eng. & Systems 2024-10-08 Magdalini Paschali , Yu Hang Jiang , Spencer Siegel , Camila Gonzalez , Kilian M. Pohl , Akshay Chaudhari , Qingyu Zhao
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