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Graph neural networks are widely used in machine learning applied to chemistry, and in particular for material science discovery. For crystalline materials, however, generating graph-based representation from geometrical information for…

Graph Neural Networks (GNNs) have achieved remarkable success in various real-world applications. However, GNNs may be trained on undesirable graph data, which can degrade their performance and reliability. To enable trained GNNs to…

Graph condensation reduces the size of large graphs while preserving performance, addressing the scalability challenges of Graph Neural Networks caused by computational inefficiencies on large datasets. Existing methods often rely on…

Graph neural networks (GNNs) have been extensively employed in node classification. Nevertheless, recent studies indicate that GNNs are vulnerable to topological perturbations, such as adversarial attacks and edge disruptions. Considerable…

Subgraph GNNs enhance message-passing GNNs expressivity by representing graphs as sets of subgraphs, demonstrating impressive performance across various tasks. However, their scalability is hindered by the need to process large numbers of…

Graph neural networks (GNNs) have emerged as a promising direction. Training large-scale graphs that relies on distributed computing power poses new challenges. Existing distributed GNN systems leverage data parallelism by partitioning the…

Graph-structured data are pervasive in the real-world such as social networks, molecular graphs and transaction networks. Graph neural networks (GNNs) have achieved great success in representation learning on graphs, facilitating various…

Graph neural networks (GNNs) are powerful tools for learning from graph data and are widely used in various applications such as social network recommendation, fraud detection, and graph search. The graphs in these applications are…

Graph Convolutional Networks (GCNs) have emerged as the state-of-the-art method for graph-based learning tasks. However, training GCNs at scale is still challenging, hindering both the exploration of more sophisticated GCN architectures and…

Training Graph Neural Networks(GNNs) on a large monolithic graph presents unique challenges as the graph cannot fit within a single machine and it cannot be decomposed into smaller disconnected components. Distributed sampling-based…

Multivariate time-series forecasting is a critical task for many applications, and graph time-series network is widely studied due to its capability to capture the spatial-temporal correlation simultaneously. However, most existing works…

Hypergraph is a general way of representing high-order relations on a set of objects. It is a generalization of graph, in which only pairwise relations can be represented. It finds applications in various domains where relationships of more…

In recent years, spatio-temporal graph neural networks (GNNs) have attracted considerable interest in the field of time series analysis, due to their ability to capture, at once, dependencies among variables and across time points. The…

Graph Convolutional Neural Network (GCNN) is a popular class of deep learning (DL) models in material science to predict material properties from the graph representation of molecular structures. Training an accurate and comprehensive GCNN…

The formation trajectory planning using complete graphs to model collaborative constraints becomes computationally intractable as the number of drones increases due to the curse of dimensionality. To tackle this issue, this paper presents a…

Graph model is emerging as a very effective tool for learning the complex structures and relationships hidden in data. Generally, the critical purpose of graph-oriented learning algorithms is to construct an informative graph for image…

Weather Forecasting is an attractive challengeable task due to its influence on human life and complexity in atmospheric motion. Supported by massive historical observed time series data, the task is suitable for data-driven approaches,…

Graph neural architecture search has received a lot of attention as Graph Neural Networks (GNNs) has been successfully applied on the non-Euclidean data recently. However, exploring all possible GNNs architectures in the huge search space…

Graphs are useful to interpret widely used image processing methods, e.g., bilateral filtering, or to develop new ones, e.g., kernel based techniques. However, simple graph constructions are often used, where edge weight and connectivity…

To accelerate the training of graph convolutional networks (GCNs) on real-world large-scale sparse graphs, downsampling methods are commonly employed as a preprocessing step. However, the effects of graph sparsity and topological structure…