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With neural networks having demonstrated their versatility and benefits, the need for their optimal performance is as prevalent as ever. A defining characteristic, hyperparameters, can greatly affect its performance. Thus engineers go…

Generative models generate vast numbers of hypothetical materials, necessitating fast, accurate models for property prediction. Graph Neural Networks (GNNs) excel in this domain but face challenges like high training costs, domain…

Heterogeneous graph neural networks (HGNNs) have powerful capability to embed rich structural and semantic information of a heterogeneous graph into node representations. Existing HGNNs inherit many mechanisms from graph neural networks…

Graph neural networks (GNNs) have emerged as a popular strategy for handling non-Euclidean data due to their state-of-the-art performance. However, most of the current GNN model designs mainly focus on task accuracy, lacking in considering…

Graph neural networks (GNNs) have been proposed for a wide range of graph-related learning tasks. In particular, in recent years, an increasing number of GNN systems were applied to predict molecular properties. However, a direct impediment…

This paper investigates the impact of hybridizing a multi-modal Genetic Algorithm with a Graph Neural Network for timetabling optimization. The Graph Neural Network is designed to encapsulate general domain knowledge to improve schedule…

Deep graph models have achieved great success in network representation learning. However, their focus on pairwise relationships restricts their ability to learn pervasive higher-order interactions in real-world systems, which can be…

Graph Neural Networks (GNNs) excel at relational reasoning but face two persistent challenges: the lack of interpretable attribution for heterogeneous node types, and the computational overhead of message passing over large, noisy graphs.…

Combinatorial optimization is essential across numerous disciplines. Traditional metaheuristics excel at exploring complex solution spaces efficiently, yet they often struggle with scalability. Deep learning has become a viable alternative…

Neural architecture search (NAS) automatically finds the best task-specific neural network topology, outperforming many manual architecture designs. However, it can be prohibitively expensive as the search requires training thousands of…

The key to the text classification task is language representation and important information extraction, and there are many related studies. In recent years, the research on graph neural network (GNN) in text classification has gradually…

Graphs play an important role in many applications. Recently, Graph Neural Networks (GNNs) have achieved promising results in graph analysis tasks. Some state-of-the-art GNN models have been proposed, e.g., Graph Convolutional Networks…

Graph neural networks (GNNs) have demonstrated promising performance across various chemistry-related tasks. However, conventional graphs only model the pairwise connectivity in molecules, failing to adequately represent higher-order…

Graph neural networks (GNN) has been successfully applied to operate on the graph-structured data. Given a specific scenario, rich human expertise and tremendous laborious trials are usually required to identify a suitable GNN architecture.…

Graph Neural Networks (GNNs) have become a prominent approach to machine learning with graphs and have been increasingly applied in a multitude of domains. Nevertheless, since most existing GNN models are based on flat message-passing…

Self-supervised learning has shown its promising capability in graph representation learning in recent work. Most existing pre-training strategies usually choose the popular Graph neural networks (GNNs), which can be seen as a special form…

Hypergraph neural networks (HGNN) have recently become attractive and received significant attention due to their excellent performance in various domains. However, most existing HGNNs rely on first-order approximations of hypergraph…

Graph Neural Networks (GNNs) often assume strong homophily for graph classification, seldom considering heterophily, which means connected nodes tend to have different class labels and dissimilar features. In real-world scenarios, graphs…

We analyze the performance of graph neural network (GNN) architectures from the perspective of random graph theory. Our approach promises to complement existing lenses on GNN analysis, such as combinatorial expressive power and worst-case…

To read the final version please go to IEEE TGRS on IEEE Xplore. Convolutional neural networks (CNNs) have been attracting increasing attention in hyperspectral (HS) image classification, owing to their ability to capture spatial-spectral…