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Atomistic materials modeling is a critical task with wide-ranging applications, from drug discovery to materials science, where accurate predictions of the target material property can lead to significant advancements in scientific…

Graph Neural Networks (GNNs) have attracted considerable attention and have emerged as a new promising paradigm to process graph-structured data. GNNs are usually stacked to multiple layers and the node representations in each layer are…

Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs…

Graph Foundation Models (GFMs) have emerged as a frontier in graph learning, which are expected to deliver transferable representations across diverse tasks. However, GFMs remain constrained by in-memory bottlenecks: they attempt to encode…

Graph-based semi-supervised node classification (GraphSSC) has wide applications, ranging from networking and security to data mining and machine learning, etc. However, existing centralized GraphSSC methods are impractical to solve many…

Graph neural network (GNN) has been demonstrated to be a powerful model in many domains for its effectiveness in learning over graphs. To scale GNN training for large graphs, a widely adopted approach is distributed training which…

Graph Neural Networks (GNNs) have emerged as the de facto standard for representation learning on graphs, owing to their ability to effectively integrate graph topology and node attributes. However, the inherent suboptimal nature of node…

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

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.…

Self-supervised learning~(SSL) is essential to obtain foundation models in NLP and CV domains via effectively leveraging knowledge in large-scale unlabeled data. The reason for its success is that a suitable SSL design can help the model to…

Graph Neural Networks (GNNs) have demonstrated remarkable efficacy in handling graph-structured data; however, they exhibit failures after deployment, which can cause severe consequences. Hence, conducting thorough testing before deployment…

Graph neural architecture search (GraphNAS) has recently aroused considerable attention in both academia and industry. However, two key challenges seriously hinder the further research of GraphNAS. First, since there is no consensus for the…

Recent advances in integrating positional and structural encodings (PSEs) into graph neural networks (GNNs) have significantly enhanced their performance across various graph learning tasks. However, the general applicability of these…

Graph neural networks (GNNs) achieve strong performance on graph learning tasks, but training on large-scale networks remains computationally challenging. Transferability results show that GNNs with fixed weights can generalize from smaller…

In recent years, Graph Foundation Models (GFMs) have gained significant attention for their potential to generalize across diverse graph domains and tasks. Some works focus on Domain-Specific GFMs, which are designed to address a variety of…

The exploration of Graph Neural Networks (GNNs) for processing graph-structured data has expanded, particularly their potential for causal analysis due to their universal approximation capabilities. Anticipated to significantly enhance…

Many computer vision and machine learning problems are modelled as learning tasks on graphs where graph neural networks GNNs have emerged as a dominant tool for learning representations of graph structured data A key feature of GNNs is…

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…

Graphs have become an important modeling tool for web applications, and Graph Neural Networks (GNNs) have achieved great success in graph representation learning. However, the performance of traditional GNNs heavily relies on a large amount…

Homophily principle, \ie{} nodes with the same labels or similar attributes are more likely to be connected, has been commonly believed to be the main reason for the superiority of Graph Neural Networks (GNNs) over traditional Neural…