AIMC Topic: Graph Neural Networks

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A graph neural network-based model with out-of-distribution robustness for enhancing antiretroviral therapy outcome prediction for HIV-1.

Computerized medical imaging and graphics : the official journal of the Computerized Medical Imaging Society
Predicting the outcome of antiretroviral therapies (ART) for HIV-1 is a pressing clinical challenge, especially when the ART includes drugs with limited effectiveness data. This scarcity of data can arise either due to the introduction of a new drug ...

IL-6-Inducing Peptide Prediction Based on 3D Structure and Graph Neural Network.

Biomolecules
Interleukin-6 (IL-6) is a potent glycoprotein that plays a crucial role in regulating innate and adaptive immunity, as well as metabolism. The expression and release of IL-6 are closely correlated with the severity of various diseases. IL-6-inducing ...

Graph neural networks in histopathology: Emerging trends and future directions.

Medical image analysis
Histopathological analysis of whole slide images (WSIs) has seen a surge in the utilization of deep learning methods, particularly Convolutional Neural Networks (CNNs). However, CNNs often fail to capture the intricate spatial dependencies inherent i...

User preference interaction fusion and swap attention graph neural network for recommender system.

Neural networks : the official journal of the International Neural Network Society
Recommender systems are widely used in various applications. Knowledge graphs are increasingly used to improve recommendation performance by extracting valuable information from user-item interactions. However, current methods do not effectively use ...

On the probability of necessity and sufficiency of explaining Graph Neural Networks: A lower bound optimization approach.

Neural networks : the official journal of the International Neural Network Society
The explainability of Graph Neural Networks (GNNs) is critical to various GNN applications, yet it remains a significant challenge. A convincing explanation should be both necessary and sufficient simultaneously. However, existing GNN explaining appr...

Heterophilous distribution propagation for Graph Neural Networks.

Neural networks : the official journal of the International Neural Network Society
Graph Neural Networks (GNNs) have achieved remarkable success in various graph mining tasks by aggregating information from neighborhoods for representation learning. The success relies on the homophily assumption that nearby nodes exhibit similar be...

Drug toxicity prediction model based on enhanced graph neural network.

Computers in biology and medicine
Prediction of drug toxicity remains a significant challenge and an essential process in drug discovery. Traditional machine learning algorithms struggle to capture the full scope of molecular structure features, limiting their effectiveness in toxici...

Implementing the discontinuous-Galerkin finite element method using graph neural networks with application to diffusion equations.

Neural networks : the official journal of the International Neural Network Society
Machine learning (ML) has benefited from both software and hardware advancements, leading to increasing interest in capitalising on ML throughout academia and industry. There have been efforts in the scientific computing community to leverage this de...

Brain networks and intelligence: A graph neural network based approach to resting state fMRI data.

Medical image analysis
Resting-state functional magnetic resonance imaging (rsfMRI) is a powerful tool for investigating the relationship between brain function and cognitive processes as it allows for the functional organization of the brain to be captured without relying...

circ2DGNN: circRNA-Disease Association Prediction via Transformer-Based Graph Neural Network.

IEEE/ACM transactions on computational biology and bioinformatics
Investigating the associations between circRNA and diseases is vital for comprehending the underlying mechanisms of diseases and formulating effective therapies. Computational prediction methods often rely solely on known circRNA-disease data, indire...