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In recent years, tasks of machine learning ranging from image processing & audio/video analysis to natural language understanding have been transformed by deep learning. The data content in all these scenarios are expressed via Euclidean…

Machine Learning · Computer Science 2023-11-07 Adil Mudasir Malla , Asif Ali Banka

Much of biomedical and healthcare data is encoded in discrete, symbolic form such as text and medical codes. There is a wealth of expert-curated biomedical domain knowledge stored in knowledge bases and ontologies, but the lack of reliable…

Artificial Intelligence · Computer Science 2020-06-25 David Chang , Ivana Balazevic , Carl Allen , Daniel Chawla , Cynthia Brandt , Richard Andrew Taylor

Supervised machine learning algorithms, such as graph neural networks (GNN), have successfully predicted material properties. However, the superior performance of GNN usually relies on end-to-end learning on large material datasets, which…

Materials Science · Physics 2025-05-22 Jian-Gang Kong , Ke-Lin Zhao , Jian Li , Qing-Xu Li , Yu Liu , Rui Zhang , Jia-Ji Zhu , Kai Chang

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

Traditional Machine Learning (ML) methods require large amounts of data to perform well, limiting their applicability in sparse or incomplete scenarios and forcing the usage of additional synthetic data to improve the model training. To…

Machine Learning · Computer Science 2025-11-18 Rosario Napoli , Giovanni Lonia , Antonio Celesti , Massimo Villari , Maria Fazio

Discovering distinct features and their relations from data can help us uncover valuable knowledge crucial for various tasks, e.g., classification. In neuroimaging, these features could help to understand, classify, and possibly prevent…

Machine Learning · Computer Science 2022-02-15 Usman Mahmood , Zening Fu , Vince Calhoun , Sergey Plis

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Machine Learning · Computer Science 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

Performing link prediction using knowledge graph embedding models has become a popular approach for knowledge graph completion. Such models employ a transformation function that maps nodes via edges into a vector space in order to measure…

Artificial Intelligence · Computer Science 2021-03-16 Mojtaba Nayyeri , Sahar Vahdati , Can Aykul , Jens Lehmann

Graph neural networks (GNNs) are a class of powerful machine learning tools that model node relations for making predictions of nodes or links. GNN developers rely on quantitative metrics of the predictions to evaluate a GNN, but similar to…

Machine Learning · Computer Science 2025-07-08 Zipeng Liu , Yang Wang , Jürgen Bernard , Tamara Munzner

Graph link prediction has long been a central problem in graph representation learning in both network analysis and generative modeling. Recent progress in deep learning has introduced increasingly sophisticated architectures for capturing…

Machine Learning · Computer Science 2025-12-02 Siddhant Karki

Variational autoencoder (VAE) is a widely used generative model for learning latent representations. Burda et al. in their seminal paper showed that learning capacity of VAE is limited by over-pruning. It is a phenomenon where a significant…

Machine Learning · Computer Science 2020-08-10 Rayyan Ahmad Khan , Muhammad Umer Anwaar , Martin Kleinsteuber

We examine two fundamental tasks associated with graph representation learning: link prediction and node classification. We present a new autoencoder architecture capable of learning a joint representation of local graph structure and…

Machine Learning · Computer Science 2018-11-08 Phi Vu Tran

Graph representation learning has emerged as a powerful tool for preserving graph topology when mapping nodes to vector representations, enabling various downstream tasks such as node classification and community detection. However, most…

Machine Learning · Computer Science 2025-03-21 Kaizhe Fan , Quanjun Li

Recent advances in Spatial Transcriptomics (ST) pair histology images with spatially resolved gene expression profiles, enabling predictions of gene expression across different tissue locations based on image patches. This opens up new…

Computer Vision and Pattern Recognition · Computer Science 2025-03-21 Aniruddha Ganguly , Debolina Chatterjee , Wentao Huang , Jie Zhang , Alisa Yurovsky , Travis Steele Johnson , Chao Chen

Graph neural networks have been used for a variety of learning tasks, such as link prediction, node classification, and node clustering. Among them, link prediction is a relatively under-studied graph learning task, with current…

Machine Learning · Computer Science 2022-08-29 Xinxing Wu , Qiang Cheng

Omics data, such as transcriptomics, proteomics, and metabolomics, provide critical insights into disease mechanisms and clinical outcomes. However, their high dimensionality, small sample sizes, and intricate biological networks pose major…

Machine Learning · Computer Science 2026-01-22 Tiantian Yang , Yuxuan Wang , Zhenwei Zhou , Ching-Ti Liu

Learning good quality neural graph embeddings has long been achieved by minimizing the point-wise mutual information (PMI) for co-occurring nodes in simulated random walks. This design choice has been mostly popularized by the direct…

Social and Information Networks · Computer Science 2022-08-29 Asan Agibetov

We introduce a novel masked graph autoencoder (MGAE) framework to perform effective learning on graph structure data. Taking insights from self-supervised learning, we randomly mask a large proportion of edges and try to reconstruct these…

Machine Learning · Computer Science 2022-01-10 Qiaoyu Tan , Ninghao Liu , Xiao Huang , Rui Chen , Soo-Hyun Choi , Xia Hu

Knowledge graphs (KGs) are an important tool for representing complex relationships between entities in the biomedical domain. Several methods have been proposed for learning embeddings that can be used to predict new links in such graphs.…

Artificial Intelligence · Computer Science 2026-05-12 Daniel Daza , Dimitrios Alivanistos , Payal Mitra , Thom Pijnenburg , Michael Cochez , Paul Groth

Graph Convolutional Networks (GCNs) have recently been shown to be quite successful in modeling graph-structured data. However, the primary focus has been on handling simple undirected graphs. Multi-relational graphs are a more general and…

Machine Learning · Computer Science 2020-01-22 Shikhar Vashishth , Soumya Sanyal , Vikram Nitin , Partha Talukdar