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Large-scale knowledge graphs provide structured representations of human knowledge. However, as it is impossible to collect all knowledge, knowledge graphs are usually incomplete. Reasoning based on existing facts paves a way to discover…

Artificial Intelligence · Computer Science 2022-07-18 Yuliang Wei , Haotian Li , Guodong Xin , Yao Wang , Bailing Wang

Identification of disease genes, which are a set of genes associated with a disease, plays an important role in understanding and curing diseases. In this paper, we present a biomedical knowledge graph designed specifically for this…

In recent decades, there has been an increase in polypharmacy, the concurrent administration of multiple drugs per patient. Studies have shown that polypharmacy is linked to adverse patient outcomes and there is interest in elucidating the…

Quantitative Methods · Quantitative Biology 2022-07-20 Kyriakos Schwarz , Daniel Trejo Banos , Giulia Rathmes , Michael Krauthammer

Scientific knowledge develops through cumulative discoveries that build on, contradict, contextualize, or correct prior findings. Scientists and journalists often communicate these incremental findings to lay people through visualizations…

Human-Computer Interaction · Computer Science 2022-09-23 Prateek Mantri , Hariharan Subramonyam , Audrey L. Michal , Cindy Xiong

Distance based knowledge graph embedding methods show promising results on link prediction task, on which two topics have been widely studied: one is the ability to handle complex relations, such as N-to-1, 1-to-N and N-to-N, the other is…

Computation and Language · Computer Science 2021-05-19 Linlin Chao , Jianshan He , Taifeng Wang , Wei Chu

Inferring causality using longitudinal observational databases is challenging due to the passive way the data are collected. The majority of associations found within longitudinal observational data are often non-causal and occur due to…

Computational Engineering, Finance, and Science · Computer Science 2016-11-17 Jenna Reps , Uwe Aickelin

Characterizing interactions between drugs is important to avoid potentially harmful combinations, to reduce off-target effects of treatments and to fight antibiotic resistant pathogens, among others. Here we present a network inference…

Molecular Networks · Quantitative Biology 2014-11-07 Roger Guimera , Marta Sales-Pardo

Predicting diseases solely from patient-side information, such as demographics and self-reported symptoms, has attracted significant research attention due to its potential to enhance patient awareness, facilitate early healthcare…

Artificial Intelligence · Computer Science 2025-12-10 Yibowen Zhao , Yinan Zhang , Zhixiang Su , Lizhen Cui , Chunyan Miao

Predicating macroscopic influences of drugs on human body, like efficacy and toxicity, is a central problem of small-molecule based drug discovery. Molecules can be represented as an undirected graph, and we can utilize graph convolution…

Machine Learning · Computer Science 2017-09-19 Junying Li , Deng Cai , Xiaofei He

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

Interdisciplinary PhD programs can be challenging as the vital information needed by students may not be readily available, it is scattered across university's websites, while tacit knowledge can be obtained only by interacting with people.…

Human-Computer Interaction · Computer Science 2024-06-21 Stanislava Gardasevic , Manika Lamba

Accurate prediction of protein-ligand binding affinity is critical for drug discovery. While recent deep learning approaches have demonstrated promising results, they often rely solely on structural features of proteins and ligands,…

Machine Learning · Computer Science 2026-01-23 Han Liu , Keyan Ding , Peilin Chen , Yinwei Wei , Liqiang Nie , Dapeng Wu , Shiqi Wang

Gene expression datasets offer insights into gene regulation mechanisms, biochemical pathways, and cellular functions. Additionally, comparing gene expression profiles between disease and control patients can deepen the understanding of…

Machine Learning · Computer Science 2025-03-27 Rita T. Sousa , Heiko Paulheim

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

Drug synergy is profoundly influenced by cellular context, as variations in protein interaction landscapes and pathway activities across cell types reshape how drugs act in combination. Most existing models overlook this heterogeneity,…

Quantitative Methods · Quantitative Biology 2026-03-24 Keqin Peng , Guangxin Su , Qinshan Shi , Shuai Gao , Ren Wang , Can Chen , Jun Wen

Knowledge Graphs (KGs) have found many applications in industry and academic settings, which in turn, have motivated considerable research efforts towards large-scale information extraction from a variety of sources. Despite such efforts,…

Machine Learning · Computer Science 2021-01-25 Andrea Rossi , Donatella Firmani , Antonio Matinata , Paolo Merialdo , Denilson Barbosa

Latent representations of drugs and their targets produced by contemporary graph autoencoder models have proved useful in predicting many types of node-pair interactions on large networks, including drug-drug, drug-target, and target-target…

Machine Learning · Computer Science 2023-02-20 Nhat Khang Ngo , Truong Son Hy , Risi Kondor

Background: Children are frequently prescribed medication off-label, meaning there has not been sufficient testing of the medication to determine its safety or effectiveness. The main reason this safety knowledge is lacking is due to…

Machine Learning · Computer Science 2014-09-03 Jenna M. Reps , Jonathan M. Garibaldi , Uwe Aickelin , Daniele Soria , Jack E. Gibson , Richard B. Hubbard

Knowledge Graphs (KGs) are widely employed in artificial intelligence applications, such as question-answering and recommendation systems. However, KGs are frequently found to be incomplete. While much of the existing literature focuses on…

Artificial Intelligence · Computer Science 2024-06-28 Sakher Khalil Alqaaidi , Krzysztof Kochut

Side effects of prescribed medications are a common occurrence. Electronic healthcare databases present the opportunity to identify new side effects efficiently but currently the methods are limited due to confounding (i.e. when an…

Databases · Computer Science 2016-11-17 Jenna M. Reps , Uwe Aickelin , Jiangang Ma , Yanchun Zhang