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The rise of graph-structured data has driven major advances in Graph Machine Learning (GML), where graph embeddings (GEs) map features from Knowledge Graphs (KGs) into vector spaces, enabling tasks like node classification and link…

Machine Learning · Computer Science 2026-01-27 Rosario Napoli , Gabriele Morabito , Antonio Celesti , Massimo Villari , Maria Fazio

Graph Neural Networks (GNNs) have become the state-of-the-art method for many applications on graph structured data. GNNs are a model for graph representation learning, which aims at learning to generate low dimensional node embeddings that…

Machine Learning · Computer Science 2022-05-23 Davide Buffelli , Fabio Vandin

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

This work presents the use of graph learning for the prediction of multi-step experimental outcomes for applications across experimental research, including material science, chemistry, and biology. The viability of geometric learning for…

Machine Learning · Computer Science 2024-08-13 Amanda A. Volk , Robert W. Epps , Jeffrey G. Ethier , Luke A. Baldwin

Representation learning is the first step in automating tasks such as research paper recommendation, classification, and retrieval. Due to the accelerating rate of research publication, together with the recognised benefits of…

Digital Libraries · Computer Science 2023-03-22 Eoghan Cunningham , Derek Greene

Stratifying cancer patients based on their gene expression levels allows improving diagnosis, survival analysis and treatment planning. However, such data is extremely highly dimensional as it contains expression values for over 20000 genes…

Representation learning provides new and powerful graph analytical approaches and tools for the highly valued data science challenge of mining knowledge graphs. Since previous graph analytical methods have mostly focused on homogeneous…

Information Retrieval · Computer Science 2019-05-29 Zheng Gao , Gang Fu , Chunping Ouyang , Satoshi Tsutsui , Xiaozhong Liu , Jeremy Yang , Christopher Gessner , Brian Foote , David Wild , Qi Yu , Ying Ding

Representation learning on graphs, also called graph embedding, has demonstrated its significant impact on a series of machine learning applications such as classification, prediction and recommendation. However, existing work has largely…

Machine Learning · Computer Science 2022-06-28 Yifan Hou , Hongzhi Chen , Changji Li , James Cheng , Ming-Chang Yang

Complex networks are widely used to represent an abundance of real-world relations ranging from social networks to brain networks. Inferring missing links or predicting future ones based on the currently observed network is known as the…

Social and Information Networks · Computer Science 2024-03-08 Weiwei Gu , Jinqiang Hou , Weiyi Gu

A large-scale knowledge graph enhances reproducibility in biomedical data discovery by providing a standardized, integrated framework that ensures consistent interpretation across diverse datasets. It improves generalizability by connecting…

Methodology · Statistics 2024-10-11 Suqi Liu , Tianxi Cai , Xiaoou Li

Motivation: Biological data and knowledge bases increasingly rely on Semantic Web technologies and the use of knowledge graphs for data integration, retrieval and federated queries. In the past years, feature learning methods that are…

Quantitative Methods · Quantitative Biology 2017-05-01 Mona Alshahrani , Mohammed Asif Khan , Omar Maddouri , Akira R Kinjo , Núria Queralt-Rosinach , Robert Hoehndorf

Peptides are essential in biological processes and therapeutics. In this study, we introduce Multi-Peptide, an innovative approach that combines transformer-based language models with Graph Neural Networks (GNNs) to predict peptide…

Quantitative Methods · Quantitative Biology 2024-07-08 Srivathsan Badrinarayanan , Chakradhar Guntuboina , Parisa Mollaei , Amir Barati Farimani

Link prediction is one of the key problems for graph-structured data. With the advancement of graph neural networks, graph autoencoders (GAEs) and variational graph autoencoders (VGAEs) have been proposed to learn graph embeddings in an…

Machine Learning · Computer Science 2021-09-14 Seong Jin Ahn , Myoung Ho Kim

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

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

Graph representation learning is a fast-growing field where one of the main objectives is to generate meaningful representations of graphs in lower-dimensional spaces. The learned embeddings have been successfully applied to perform various…

Machine Learning · Computer Science 2021-12-21 Md. Khaledur Rahman , Ariful Azad

The recent development of high-throughput sequencing creates a large collection of multi-omics data, which enables researchers to better investigate cancer molecular profiles and cancer taxonomy based on molecular subtypes. Integrating…

Genomics · Quantitative Biology 2024-01-25 Bingjun Li , Sheida Nabavi

Automatic surgical gesture recognition is fundamentally important to enable intelligent cognitive assistance in robotic surgery. With recent advancement in robot-assisted minimally invasive surgery, rich information including surgical…

Computer Vision and Pattern Recognition · Computer Science 2021-06-30 Yonghao Long , Jie Ying Wu , Bo Lu , Yueming Jin , Mathias Unberath , Yun-Hui Liu , Pheng Ann Heng , Qi Dou

Multi-omics data is increasingly being utilized to advance computational methods for cancer classification. However, multi-omics data integration poses significant challenges due to the high dimensionality, data complexity, and distinct…

Genomics · Quantitative Biology 2024-10-10 Fadi Alharbi , Aleksandar Vakanski , Boyu Zhang , Murtada K. Elbashir , Mohanad Mohammed

Effectively modeling multimodal spatial omics data is critical for understanding tissue complexity and underlying biological mechanisms. While spatial transcriptomics, proteomics, and epigenomics capture molecular features, they lack…

Computer Vision and Pattern Recognition · Computer Science 2025-11-18 Yongjun Xiao , Dian Meng , Xinlei Huang , Yanran Liu , Shiwei Ruan , Ziyue Qiao , Xubin Zheng