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Biomedical networks (or graphs) are universal descriptors for systems of interacting elements, from molecular interactions and disease co-morbidity to healthcare systems and scientific knowledge. Advances in artificial intelligence,…

Machine Learning · Computer Science 2025-02-07 Michelle M. Li , Kexin Huang , Marinka Zitnik

Recipe recommendation systems play an essential role in helping people decide what to eat. Existing recipe recommendation systems typically focused on content-based or collaborative filtering approaches, ignoring the higher-order…

Information Retrieval · Computer Science 2022-05-30 Yijun Tian , Chuxu Zhang , Zhichun Guo , Chao Huang , Ronald Metoyer , Nitesh V. Chawla

We introduce Bi-GNN for modeling biological link prediction tasks such as drug-drug interaction (DDI) and protein-protein interaction (PPI). Taking drug-drug interaction as an example, existing methods using machine learning either only…

Computational Engineering, Finance, and Science · Computer Science 2020-06-26 Yunsheng Bai , Ken Gu , Yizhou Sun , Wei Wang

The study of food pairing has evolved beyond subjective expertise with the advent of machine learning. This paper presents FlavorDiffusion, a novel framework leveraging diffusion models to predict food-chemical interactions and ingredient…

Machine Learning · Computer Science 2025-02-12 Seo Jun Pyo

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

Predicting drug-drug interactions (DDI) is the problem of predicting side effects (unwanted outcomes) of a pair of drugs using drug information and known side effects of many pairs. This problem can be formulated as predicting labels (i.e.…

Machine Learning · Computer Science 2023-04-05 Duc Anh Nguyen , Canh Hao Nguyen , Hiroshi Mamitsuka

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

Complex networks represented as node adjacency matrices constrains the application of machine learning and parallel algorithms. To address this limitation, network embedding (i.e., graph representation) has been intensively studied to learn…

Social and Information Networks · Computer Science 2019-10-24 Huang Zhenhua , Wang Zhenyu , Zhang Rui , Zhao Yangyang , Xie Xiaohui , Sharad Mehrotra

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

Recent progress in deep learning is revolutionizing the healthcare domain including providing solutions to medication recommendations, especially recommending medication combination for patients with complex health conditions. Existing…

Artificial Intelligence · Computer Science 2019-03-08 Junyuan Shang , Cao Xiao , Tengfei Ma , Hongyan Li , Jimeng Sun

Recent years have witnessed a surge of interest in machine learning on graphs and networks with applications ranging from vehicular network design to IoT traffic management to social network recommendations. Supervised machine learning…

Social and Information Networks · Computer Science 2019-08-23 Manoj Reddy Dareddy , Mahashweta Das , Hao Yang

Drug recommendation is an essential task in machine learning-based clinical decision support systems. However, the risk of drug-drug interactions (DDI) between co-prescribed medications remains a significant challenge. Previous studies have…

Machine Learning · Computer Science 2025-10-10 Chongmyung Kwon , Yujin Kim , Seoeun Park , Yunji Lee , Charmgil Hong

Joint entity-relation extraction is a critical task in transforming unstructured or semi-structured text into triplets, facilitating the construction of large-scale knowledge graphs, and supporting various downstream applications. Despite…

Computation and Language · Computer Science 2025-02-14 Danni Feng , Runzhi Li , Jing Wang , Siyu Yan , Lihong Ma , Yunli Xing

The widespread application of machine learning techniques to biomedical data has produced many new insights into disease progression and improving clinical care. Inspired by the flexibility and interpretability of graphs (networks), as well…

Machine Learning · Computer Science 2023-12-27 Steven J. Krieg , Nitesh V. Chawla , Keith Feldman

Drug-drug interactions (DDIs) represent a critical challenge in pharmacology, often leading to adverse drug reactions with significant implications for patient safety and healthcare outcomes. While graph-based methods have achieved strong…

Machine Learning · Computer Science 2025-07-15 Mengjie Chen , Ming Zhang , Cunquan Qu

Combining different modalities of data from human tissues has been critical in advancing biomedical research and personalised medical care. In this study, we leverage a graph embedding model (i.e VGAE) to perform link prediction on…

Genomics · Quantitative Biology 2021-07-27 Amine Amor , Pietro Lio' , Vikash Singh , Ramon Viñas Torné , Helena Andres Terre

Drug combination refers to the use of two or more drugs to treat a specific disease at the same time. It is currently the mainstream way to treat complex diseases. Compared with single drugs, drug combinations have better efficacy and can…

Quantitative Methods · Quantitative Biology 2024-10-15 Xinxing Yang , Jiachen Li , Xiao Kang , Guojin Pei , Keyu Liu , Genke Yang , Jian Chu

Traditional Chinese Medicine diagnosis and treatment principles, established through centuries of trial-and-error clinical practice, directly maps patient-specific symptom patterns to personalised herbal therapies. These empirical holistic…

Complex or co-existing diseases are commonly treated using drug combinations, which can lead to higher risk of adverse side effects. The detection of polypharmacy side effects is usually done in Phase IV clinical trials, but there are still…

Machine Learning · Statistics 2019-05-03 Andreea Deac , Yu-Hsiang Huang , Petar Veličković , Pietro Liò , Jian Tang

Preventable adverse events as a result of medical errors present a growing concern in the healthcare system. As drug-drug interactions (DDIs) may lead to preventable adverse events, being able to extract DDIs from drug labels into a…

Computation and Language · Computer Science 2019-11-06 Tung Tran , Ramakanth Kavuluru , Halil Kilicoglu