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The widespread availability of electronic health records (EHRs) promises to usher in the era of personalized medicine. However, the problem of extracting useful clinical representations from longitudinal EHR data remains challenging. In…

Machine Learning · Computer Science 2017-01-27 Zhengping Che , Yu Cheng , Zhaonan Sun , Yan Liu

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

We propose the molecular omics network (MOOMIN) a multimodal graph neural network used by AstraZeneca oncologists to predict the synergy of drug combinations for cancer treatment. Our model learns drug representations at multiple scales…

Machine Learning · Computer Science 2022-08-09 Benedek Rozemberczki , Anna Gogleva , Sebastian Nilsson , Gavin Edwards , Andriy Nikolov , Eliseo Papa

When patients need to take medicine, particularly taking more than one kind of drug simultaneously, they should be alarmed that there possibly exists drug-drug interaction. Interaction between drugs may have a negative impact on patients or…

Computation and Language · Computer Science 2020-08-31 Siliang Tang , Qi Zhang , Tianpeng Zheng , Mengdi Zhou , Zhan Chen , Lixing Shen , Xiang Ren , Yueting Zhuang , Shiliang Pu , Fei Wu

Recent works on representation learning for graph structured data predominantly focus on learning distributed representations of graph substructures such as nodes and subgraphs. However, many graph analytics tasks such as graph…

Artificial Intelligence · Computer Science 2017-07-18 Annamalai Narayanan , Mahinthan Chandramohan , Rajasekar Venkatesan , Lihui Chen , Yang Liu , Shantanu Jaiswal

To mitigate the potential adverse health effects of simultaneous multi-drug use, including unexpected side effects and interactions, accurately identifying and predicting drug-drug interactions (DDIs) is considered a crucial task in the…

Computer Vision and Pattern Recognition · Computer Science 2025-08-13 Yuqin He , Tengfei Ma , Chaoyi Li , Pengsen Ma , Hongxin Xiang , Jianmin Wang , Yiping Liu , Bosheng Song , Xiangxiang Zeng

Chronic Kidney Disease (CKD) represents a significant global health challenge, characterized by the progressive decline in renal function, leading to the accumulation of waste products and disruptions in fluid balance within the body. Given…

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

BACKGROUND: The amount of biomedical literature is rapidly growing and it is becoming increasingly difficult to keep manually curated knowledge bases and ontologies up-to-date. In this study we applied the word2vec deep learning toolkit to…

Computation and Language · Computer Science 2015-02-13 Jose Antonio Miñarro-Giménez , Oscar Marín-Alonso , Matthias Samwald

In recent years, graph representation learning has gained significant popularity, which aims to generate node embeddings that capture features of graphs. One of the methods to achieve this is employing a technique called random walks that…

Machine Learning · Computer Science 2022-10-13 Deniz Gurevin , Mohsin Shan , Tong Geng , Weiwen Jiang , Caiwen Ding , Omer Khan

In routine colorectal cancer management, histologic samples stained with hematoxylin and eosin are commonly used. Nonetheless, their potential for defining objective biomarkers for patient stratification and treatment selection is still…

Quantitative Methods · Quantitative Biology 2024-09-26 Fabi Prezja , Leevi Annala , Sampsa Kiiskinen , Suvi Lahtinen , Timo Ojala , Pekka Ruusuvuori , Teijo Kuopio

The task here is to predict the toxicological activity of chemical compounds based on the Tox21 dataset, a benchmark in computational toxicology. After a domain-specific overview of chemical toxicity, we discuss current computational…

Machine Learning · Computer Science 2025-10-28 Eduard Popescu , Adrian Groza , Andreea Cernat

Recent years have witnessed the rapid accumulation of massive electronic medical records (EMRs), which highly support the intelligent medical services such as drug recommendation. However, prior arts mainly follow the traditional…

Information Retrieval · Computer Science 2021-02-09 Zhi Zheng , Chao Wang , Tong Xu , Dazhong Shen , Penggang Qin , Baoxing Huai , Tongzhu Liu , Enhong Chen

Learning low-dimensional embeddings of knowledge graphs is a powerful approach used to predict unobserved or missing edges between entities. However, an open challenge in this area is developing techniques that can go beyond simple edge…

Social and Information Networks · Computer Science 2019-10-30 William L. Hamilton , Payal Bajaj , Marinka Zitnik , Dan Jurafsky , Jure Leskovec

The complete characterization of enzymatic activities between molecules remains incomplete, hindering biological engineering and limiting biological discovery. We develop in this work a technique, Enzymatic Link Prediction (ELP), for…

Molecular Networks · Quantitative Biology 2020-02-11 Julie Jiang , Li-Ping Liu , Soha Hassoun

Learning to infer graph representations and performing spatial reasoning in a complex surgical environment can play a vital role in surgical scene understanding in robotic surgery. For this purpose, we develop an approach to generate the…

Computer Vision and Pattern Recognition · Computer Science 2020-09-14 Mobarakol Islam , Lalithkumar Seenivasan , Lim Chwee Ming , Hongliang Ren

Understanding disease-gene associations is essential for unravelling disease mechanisms and advancing diagnostics and therapeutics. Traditional approaches based on manual curation and literature review are labour-intensive and not scalable,…

Machine Learning · Computer Science 2026-02-24 Osman Onur Kuzucu , Tunca Doğan

Laboratory testing and medication prescription are two of the most important routines in daily clinical practice. Developing an artificial intelligence system that can automatically make lab test imputations and medication recommendations…

Machine Learning · Computer Science 2022-02-07 Chengsheng Mao , Liang Yao , Yuan Luo

Electronic Health Records (EHR) are high-dimensional data with implicit connections among thousands of medical concepts. These connections, for instance, the co-occurrence of diseases and lab-disease correlations can be informative when…

Machine Learning · Computer Science 2021-03-29 Weicheng Zhu , Narges Razavian

Graph embedding techniques have led to significant progress in recent years. However, present techniques are not effective enough to capture the patterns of networks. This paper propose neighbor2vec, a neighbor-based sampling strategy used…

Social and Information Networks · Computer Science 2022-01-11 Zhiming Lin