AIMC Topic: Graph Neural Networks

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A graph neural network explainability strategy driven by key subgraph connectivity.

Journal of biomedical informatics Mar 21, 2025
Current explainability strategies for Graph Neural Networks (GNNs) often focus on individual nodes or edges, neglecting the significance of key subgraphs in decision-making processes. This limitation can result in dispersed and less reliable explanat...
Graph Neural Networks Algorithms Humans Neural Networks, Computer Computer Graphics
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TopEC: prediction of Enzyme Commission classes by 3D graph neural networks and localized 3D protein descriptor.

Nature communications Mar 20, 2025
Tools available for inferring enzyme function from general sequence, fold, or evolutionary information are generally successful. However, they can lead to misclassification if a deviation in local structural features influences the function. Here, we...
Neural Networks, Computer Binding Sites Graph Neural Networks Computational Biology Software Protein Conformation Enzymes Algorithms
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Predicting orthognathic surgery results as postoperative lateral cephalograms using graph neural networks and diffusion models.

Nature communications Mar 16, 2025
Orthognathic surgery, or corrective jaw surgery, is performed to correct severe dentofacial deformities and is increasingly sought for cosmetic purposes. Accurate prediction of surgical outcomes is essential for selecting the optimal treatment plan a...
Postoperative Period Orthognathic Surgical Procedures Graph Neural Networks Treatment Outcome Cephalometry Neural Networks, Computer Adult Female Male Young Adult Humans
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GraphSleepFormer: a multi-modal graph neural network for sleep staging in OSA patients.

Journal of neural engineering Mar 11, 2025
Obstructive sleep apnea (OSA) is a prevalent sleep disorder. Accurate sleep staging is one of the prerequisites in the study of sleep-related disorders and the evaluation of sleep quality. We introduce a novel GraphSleepFormer (GSF) network designed ...
Female Adult Humans Neural Networks, Computer Sleep Apnea, Obstructive Polysomnography Sleep Stages Male Middle Aged Graph Neural Networks
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FEGGNN: Feature-Enhanced Gated Graph Neural Network for robust few-shot skin disease classification.

Computers in biology and medicine Mar 9, 2025
Accurate and timely classification of skin diseases is essential for effective dermatological diagnosis. However, the limited availability of annotated images, particularly for rare or novel conditions, poses a significant challenge. Although few-sho...
Humans Neural Networks, Computer Graph Neural Networks Skin Diseases Algorithms Image Interpretation, Computer-Assisted Diagnosis, Computer-Assisted
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DIG-Mol: A Contrastive Dual-Interaction Graph Neural Network for Molecular Property Prediction.

IEEE journal of biomedical and health informatics Mar 6, 2025
Molecular property prediction is a key component of AI-driven drug discovery and molecular characterization learning. Despite recent advances, existing methods still face challenges such as limited ability to generalize, and inadequate representation...
Molecular Structure Graph Neural Networks Neural Networks, Computer Algorithms Drug Discovery
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Drug Repositioning via Multi-View Representation Learning With Heterogeneous Graph Neural Network.

IEEE journal of biomedical and health informatics Mar 6, 2025
Exploring simple and efficient computational methods for drug repositioning has emerged as a popular and compelling topic in the realm of comprehensive drug development. The crux of this technology lies in identifying potential drug-disease associati...
Graph Neural Networks Computational Biology Drug Repositioning Neural Networks, Computer Algorithms Humans
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Knowledge Graph Neural Network With Spatial-Aware Capsule for Drug-Drug Interaction Prediction.

IEEE journal of biomedical and health informatics Mar 6, 2025
Uncovering novel drug-drug interactions (DDIs) plays a pivotal role in advancing drug development and improving clinical treatment. The outstanding effectiveness of graph neural networks (GNNs) has garnered significant interest in the field of DDI pr...
Humans Computational Biology Drug Interactions Graph Neural Networks Neural Networks, Computer Algorithms
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scHeteroNet: A Heterophily-Aware Graph Neural Network for Accurate Cell Type Annotation and Novel Cell Detection.

Advanced science (Weinheim, Baden-Wurttemberg, Germany) Mar 5, 2025
Single-cell RNA sequencing (scRNA-seq) has unveiled extensive cellular heterogeneity, yet precise cell type annotation and the identification of novel cell populations remain significant challenges. scHeteroNet, a novel graph neural network framework...
Neural Networks, Computer Single-Cell Analysis Sequence Analysis, RNA Graph Neural Networks Humans
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Leveraging graph neural networks and gate recurrent units for accurate and transparent prediction of baseball pitching speed.

Scientific reports Mar 5, 2025
Long short-term memory (LSTM) networks are widely used in biomechanical data analysis but have the significant limitations in interpretability and decision transparency. Combining graph neural networks (GNN) with gate recurrent units (GRU) may offer ...
Graph Neural Networks Athletic Performance Baseball Humans Biomechanical Phenomena Male Neural Networks, Computer
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