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Message Passing Neural Networks (MPNNs) hold a key position in machine learning on graphs, but they struggle with unintended behaviors, such as over-smoothing and over-squashing, due to irregular data structures. The observation and…

Knowledge graphs (KGs) facilitate a wide variety of applications. Despite great efforts in creation and maintenance, even the largest KGs are far from complete. Hence, KG completion (KGC) has become one of the most crucial tasks for KG…

Recent years have witnessed remarkable success achieved by graph neural networks (GNNs) in many real-world applications such as recommendation and drug discovery. Despite the success, oversmoothing has been identified as one of the key…

Recent advances in molecular representation learning have produced highly effective encodings of molecules for numerous cheminformatics and bioinformatics tasks. However, extracting general chemical insight while balancing predictive…

Attention based models have achieved many remarkable breakthroughs in numerous applications. However, the quadratic complexity of Attention makes the vanilla Attention based models hard to apply to long sequence tasks. Various improved…

The over-smoothing problem is an obstacle of developing deep graph neural network (GNN). Although many approaches to improve the over-smoothing problem have been proposed, there is still a lack of comprehensive understanding and conclusion…

Graph neural networks (GNNs) rely mainly on the message-passing paradigm to propagate node features and build interactions, and different graph learning problems require different ranges of node interactions. In this work, we explore the…

The online prediction of multivariate signals, existing simultaneously in space and time, from noisy partial observations is a fundamental task in numerous applications. We propose an efficient Neural Network architecture for the online…

The relationship between Layer Normalization (LN) placement and the oversmoothing phenomenon remains underexplored. We identify a critical dilemma: Pre-LN architectures avoid oversmoothing but suffer from the curse of depth, while Post-LN…

Continuous graph neural networks (CGNNs) have garnered significant attention due to their ability to generalize existing discrete graph neural networks (GNNs) by introducing continuous dynamics. They typically draw inspiration from…

Spectral Graph Neural Networks (GNNs) are gaining attention for their ability to surpass the limitations of message-passing GNNs. They rely on supervision from downstream tasks to learn spectral filters that capture the graph signal's…

In the realm of collaborative filtering recommendation systems, Graph Neural Networks (GNNs) have demonstrated remarkable performance but face significant challenges in deployment on resource-constrained edge devices due to their high…

Graph Neural Network (GNN) achieves great success for node-level and graph-level tasks via encoding meaningful topological structures of networks in various domains, ranging from social to biological networks. However, repeated aggregation…

The recent advancements in graph neural networks (GNNs) have led to state-of-the-art performances in various applications, including chemo-informatics, question-answering systems, and recommender systems. However, scaling up these methods…

Graph Neural Networks (GNNs) are a predominant method for graph representation learning. However, beyond subgraph frequency estimation, their application to network motif significance-profile (SP) prediction remains under-explored, with no…

Physics-informed Graph Neural Networks have achieved remarkable performance in learning through graph-structured data by mitigating common GNN challenges such as over-smoothing, over-squashing, and heterophily adaption. Despite these…

Graph neural networks (GNNs) have been widely investigated in the field of semi-supervised graph machine learning. Most methods fail to exploit adequate graph information when labeled data is limited, leading to the problem of…

Mesh-based simulation using Graph Neural Networks (GNNs) has been recognized as a promising approach for modeling fluid dynamics. However, the mesh refinement techniques which allocate finer resolution to regions with steep gradients can…

In recent years, Graph Neural Networks (GNNs) have achieved remarkable success in many graph mining tasks. However, scaling them to large graphs is challenging due to the high computational and storage costs of repeated feature propagation…

Graph convolutional networks (GCNs) have achieved remarkable learning ability for dealing with various graph structural data recently. In general, deep GCNs do not work well since graph convolution in conventional GCNs is a special form of…