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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

Knowledge graphs are used to represent relational information in terms of triples. To enable learning about domains, embedding models, such as tensor factorization models, can be used to make predictions of new triples. Often there is…

Machine Learning · Computer Science 2018-12-11 Bahare Fatemi , Siamak Ravanbakhsh , David Poole

Knowledge graph embedding (KGE) models learn the representation of entities and relations in knowledge graphs. Distance-based methods show promising performance on link prediction task, which predicts the result by the distance between two…

Computation and Language · Computer Science 2022-12-26 Baoxin Wang , Qingye Meng , Ziyue Wang , Honghong Zhao , Dayong Wu , Wanxiang Che , Shijin Wang , Zhigang Chen , Cong Liu

Network biology has been successfully used to help reveal complex mechanisms of disease, especially cancer. On the other hand, network biology requires in-depth knowledge to construct disease-specific networks, but our current knowledge is…

Computer Vision and Pattern Recognition · Computer Science 2018-06-18 Sungmin Rhee , Seokjun Seo , Sun Kim

Complex node interactions are common in knowledge graphs, and these interactions also contain rich knowledge information. However, traditional methods usually treat a triple as a training unit during the knowledge representation learning…

Computation and Language · Computer Science 2021-10-01 Bin He , Di Zhou , Jinghui Xiao , Xin jiang , Qun Liu , Nicholas Jing Yuan , Tong Xu

Protein-Protein Interaction Networks aim to model the interactome, providing a powerful tool for understanding the complex relationships governing cellular processes. These networks have numerous applications, including functional…

Molecular Networks · Quantitative Biology 2023-10-05 Rodrigo Henrique Ramos , Cynthia de Oliveira Lage Ferreira , Adenilso Simao

To provide more accurate, diverse, and explainable recommendation, it is compulsory to go beyond modeling user-item interactions and take side information into account. Traditional methods like factorization machine (FM) cast it as a…

Machine Learning · Computer Science 2019-06-11 Xiang Wang , Xiangnan He , Yixin Cao , Meng Liu , Tat-Seng Chua

Knowledge graphs (KGs) store enormous facts as relationships between entities. Due to the long-tailed distribution of relations and the incompleteness of KGs, there is growing interest in few-shot knowledge graph completion (FKGC). Existing…

Information Retrieval · Computer Science 2024-08-06 Zicheng Zhao , Linhao Luo , Shirui Pan , Chengqi Zhang , Chen Gong

Self-supervised protein language models have proved their effectiveness in learning the proteins representations. With the increasing computational power, current protein language models pre-trained with millions of diverse sequences can…

Biomolecules · Quantitative Biology 2022-11-02 Ningyu Zhang , Zhen Bi , Xiaozhuan Liang , Siyuan Cheng , Haosen Hong , Shumin Deng , Jiazhang Lian , Qiang Zhang , Huajun Chen

In this work, we provide a new formulation for Graph Convolutional Neural Networks (GCNNs) for link prediction on graph data that addresses common challenges for biomedical knowledge graphs (KGs). We introduce a regularized attention…

Machine Learning · Computer Science 2018-12-04 Daniel Neil , Joss Briody , Alix Lacoste , Aaron Sim , Paidi Creed , Amir Saffari

Previous models for learning entity and relationship embeddings of knowledge graphs such as TransE, TransH, and TransR aim to explore new links based on learned representations. However, these models interpret relationships as simple…

Machine Learning · Computer Science 2018-04-02 Feipeng Zhao , Martin Renqiang Min , Chen Shen , Amit Chakraborty

Protein-protein interaction (PPI) networks, providing a comprehensive landscape of protein interacting patterns, enable us to explore biological processes and cellular components at multiple resolutions. For a biological process, a number…

Molecular Networks · Quantitative Biology 2016-04-13 Xiuli Ma , Guangyu Zhou , Jingjing Wang , Jian Peng , Jiawei Han

Predicting protein-protein interactions (PPIs) by learning informative representations from amino acid sequences is a challenging yet important problem in biology. Although various deep learning models in Siamese architecture have been…

Machine Learning · Computer Science 2020-10-19 Kishan KC , Feng Cui , Anne Haake , Rui Li

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

Protein-protein interactions drive many biological processes, including the detection of phytopathogens by plants' R-Proteins and cell surface receptors. Many machine learning studies have attempted to predict protein-protein interactions…

Machine Learning · Computer Science 2023-10-24 Ruth Veevers , Dan MacLean

Many practical graph problems, such as knowledge graph construction and drug-drug interaction prediction, require to handle multi-relational graphs. However, handling real-world multi-relational graphs with Graph Neural Networks (GNNs) is…

Machine Learning · Computer Science 2020-10-30 Jinheon Baek , Dong Bok Lee , Sung Ju Hwang

Knowledge graphs (KGs) are the key components of various natural language processing applications. To further expand KGs' coverage, previous studies on knowledge graph completion usually require a large number of training instances for each…

Computation and Language · Computer Science 2018-08-29 Wenhan Xiong , Mo Yu , Shiyu Chang , Xiaoxiao Guo , William Yang Wang

Discovery gene-disease links is important in biology and medicine areas, enabling disease identification and drug repurposing. Machine learning approaches accelerate this process by leveraging biological knowledge represented in ontologies…

Machine Learning · Computer Science 2025-04-14 Catarina Canastra , Cátia Pesquita

Infections depend on interactions between pathogen and host proteins, but comprehensively mapping these interactions is challenging and labor intensive. Many biological networks have hierarchical, scale-free structure, so we developed a…

Molecular Networks · Quantitative Biology 2025-11-19 Xiaoqiong Xia , Cesar de la Fuente-Nunez

The use of drug combinations often leads to polypharmacy side effects (POSE). A recent method formulates POSE prediction as a link prediction problem on a graph of drugs and proteins, and solves it with Graph Convolutional Networks (GCNs).…

Machine Learning · Computer Science 2020-01-29 Hao Xu , Shengqi Sang , Haiping Lu
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