IEEE

Variational Quantum Circuits for Molecular Classification Using Graph Neural Network

Abstract: The study explores the integration of quantum-enhanced feature mapping and optimization within Graph Neural Networks (GNNs) for molecular classification tasks. Utilizing IBM's Qiskit ...
Gut

AI-empowered human microbiome research

Recent advances in high-throughput microbiome profiling have generated expansive data sets that offer unprecedented ...
The Edge Singapore

Singapore start-up builds AI ‘search engine for molecules’ with Equinix

Nanyang Biologics says its AI platform can scan millions of compounds in minutes, which could help fast-track therapies, ...
C&EN

Multilevel Fusion Graph Neural Network for Molecule Property Prediction

The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.jcim.5c01525. Efficiency analysis of different normalization strategies ...
IEEE

Heterogeneous Graph Neural Network Model Based on Edge Feature Generation and Meta-Graph Similarity for Feature Extraction

Abstract: Edges and nodes form the core elements of heterogeneous graphs (HGs). However, existing heterogeneous graph neural networks (HGNNS) largely rely on meta-paths to capture semantic information ...
C&EN

The Dynamic Connection Layer (DCL): Enhancing Topological Representation in Chemical Graph Neural Networks

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Non-Commercial (NC): Only non-commercial uses of the work are permitted. In ...
Frontiers

Explainable graph neural network based on metabolic brain imaging for differential diagnosis of parkinsonism

Background: Accurate differentiation of parkinsonian syndromes remains challenging due to overlapping clinical manifestations and subtle neuroimaging variations. This study introduces an explainable ...