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Sampling is an established technique to scale graph neural networks to large graphs. Current approaches however assume the graphs to be homogeneous in terms of relations and ignore relation types, critically important in biomedical graphs.…

Machine Learning · Computer Science 2021-05-31 Arthur Feeney , Rishabh Gupta , Veronika Thost , Rico Angell , Gayathri Chandu , Yash Adhikari , Tengfei Ma

The discovery of drug-target interactions (DTIs) is a very promising area of research with great potential. The accurate identification of reliable interactions among drugs and proteins via computational methods, which typically leverage…

Quantitative Methods · Quantitative Biology 2022-12-06 Bin Liu , Dimitrios Papadopoulos , Fragkiskos D. Malliaros , Grigorios Tsoumakas , Apostolos N. Papadopoulos

When a user connects to the Internet to fulfill his needs, he often encounters a huge amount of related information. Recommender systems are the techniques for massively filtering information and offering the items that users find them…

Machine Learning · Computer Science 2021-07-15 Mahdi Kherad , Amir Jalaly Bidgoly

Benefiting from the powerful expressive capability of graphs, graph-based approaches have been popularly applied to handle multi-modal medical data and achieved impressive performance in various biomedical applications. For disease…

Machine Learning · Computer Science 2022-03-14 Shuai Zheng , Zhenfeng Zhu , Zhizhe Liu , Zhenyu Guo , Yang Liu , Yuchen Yang , Yao Zhao

The medical community believes binary medical event outcomes in EHR data contain sufficient information for making a sensible recommendation. However, there are two challenges to effectively utilizing such data: (1) modeling the…

Artificial Intelligence · Computer Science 2024-09-12 Xihao Piao , Pei Gao , Zheng Chen , Lingwei Zhu , Yasuko Matsubara , Yasushi Sakurai , Jimeng Sun

Interactive recommender system (IRS) has drawn huge attention because of its flexible recommendation strategy and the consideration of optimal long-term user experiences. To deal with the dynamic user preference and optimize accumulative…

Information Retrieval · Computer Science 2020-06-19 Sijin Zhou , Xinyi Dai , Haokun Chen , Weinan Zhang , Kan Ren , Ruiming Tang , Xiuqiang He , Yong Yu

Coronavirus Disease 2019 (COVID-19) has been creating a worldwide pandemic situation. Repurposing drugs, already shown to be free of harmful side effects, for the treatment of COVID-19 patients is an important option in launching novel…

Molecular Networks · Quantitative Biology 2020-07-07 Sumanta Ray , Snehalika Lall , Anirban Mukhopadhyay , Sanghamitra Bandyopadhyay , Alexander Schönhuth

Predicting user actions based on anonymous sessions is a challenge to general recommendation systems because the lack of user profiles heavily limits data-driven models. Recently, session-based recommendation methods have achieved…

Information Retrieval · Computer Science 2019-10-31 Yujia Zheng , Siyi Liu , Zailei Zhou

Background: Computational drug repurposing is a cost- and time-efficient approach that aims to identify new therapeutic targets or diseases (indications) of existing drugs/compounds. It is especially critical for emerging and/or orphan…

Quantitative Methods · Quantitative Biology 2023-04-26 Chunyu Ma , Zhihan Zhou , Han Liu , David Koslicki

Knowledge graphs (KGs) represent connections and relationships between real-world entities. We propose a link prediction framework for KGs named Enrichment-Driven GrAph Reasoner (EDGAR), which infers new edges by mining entity-local rules.…

Information Theory · Computer Science 2024-11-14 Olawumi Olasunkanmi , Evan Morris , Yaphet Kebede , Harlin Lee , Stanley Ahalt , Alexander Tropsha , Chris Bizon

The study of multi-type Protein-Protein Interaction (PPI) is fundamental for understanding biological processes from a systematic perspective and revealing disease mechanisms. Existing methods suffer from significant performance degradation…

Machine Learning · Computer Science 2021-06-02 Guofeng Lv , Zhiqiang Hu , Yanguang Bi , Shaoting Zhang

Incorporating knowledge graph into recommender systems has attracted increasing attention in recent years. By exploring the interlinks within a knowledge graph, the connectivity between users and items can be discovered as paths, which…

Information Retrieval · Computer Science 2018-11-13 Xiang Wang , Dingxian Wang , Canran Xu , Xiangnan He , Yixin Cao , Tat-Seng Chua

In the current deep learning based recommendation system, the embedding method is generally employed to complete the conversion from the high-dimensional sparse feature vector to the low-dimensional dense feature vector. However, as the…

Information Retrieval · Computer Science 2021-08-10 Huimin Zhou , Qing Li , Yong Jiang , Rongwei Yang , Zhuyun Qi

Efficient identification of promising drug candidates for nanomaterial-based delivery systems is essential for advancing next-generation therapeutics. In this work, we present a synergistic framework combining density functional theory…

Computational Physics · Physics 2025-11-07 Chaithanya Purushottam Bhat , Pranav Suryawanshi , Aditya Guneja , Debashis Bandyopadhyay

Recommender systems are essential components of modern online platforms which presents personalized content in various domain. The traditional collaborative filtering methods depends on static user-item interaction graphs and a limited…

Information Retrieval · Computer Science 2026-05-08 Aadarsh Senapati , Neha Kujur , Vivek Yelleti

Heterogeneous molecular entities and their interactions, commonly depicted as a network, are crucial for advancing our systems-level understanding of biology. With recent advancements in high-throughput data generation and a significant…

Quantitative Methods · Quantitative Biology 2026-03-18 Kishan KC , Rui Li , Paribesh Regmi , Anne R. Haake

Protein-protein interactions (PPIs) play key roles in a broad range of biological processes. Numerous strategies have been proposed for predicting PPIs, and among them, graph-based methods have demonstrated promising outcomes owing to the…

Machine Learning · Computer Science 2024-04-19 Mingda Xu , Peisheng Qian , Ziyuan Zhao , Zeng Zeng , Jianguo Chen , Weide Liu , Xulei Yang

Graph neural networks (GNNs) have been widely applied in the recommendation tasks and have obtained very appealing performance. However, most GNN-based recommendation methods suffer from the problem of data sparsity in practice. Meanwhile,…

Information Retrieval · Computer Science 2021-12-15 Yiqi Wang , Chaozhuo Li , Zheng Liu , Mingzheng Li , Jiliang Tang , Xing Xie , Lei Chen , Philip S. Yu

Sequential recommendation (SR) aims to predict the next purchasing item according to users' dynamic preference learned from their historical user-item interactions. To improve the performance of recommendation, learning dynamic…

Information Retrieval · Computer Science 2024-12-31 Chuan He , Yongchao Liu , Qiang Li , Weiqiang Wang , Xin Fu , Xinyi Fu , Chuntao Hong , Xinwei Yao

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