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Recently, graph neural networks have attracted great attention and achieved prominent performance in various research fields. Most of those algorithms have assumed pairwise relationships of objects of interest. However, in many real…

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) have been ubiquitous in graph node classification tasks. Most of GNN methods update the node embedding iteratively by aggregating its neighbors' information. However, they often suffer from negative disturbance,…

In this paper, we present a hypergraph neural networks (HGNN) framework for data representation learning, which can encode high-order data correlation in a hypergraph structure. Confronting the challenges of learning representation for…

The progress in hyperbolic neural networks (HNNs) research is hindered by their absence of inductive bias mechanisms, which are essential for generalizing to new tasks and facilitating scalable learning over large datasets. In this paper,…

Graph neural networks (GNNs) have been widely used to learn vector representation of graph-structured data and achieved better task performance than conventional methods. The foundation of GNNs is the message passing procedure, which…

The growing interest in hypergraph neural networks (HGNNs) is driven by their capacity to capture the complex relationships and patterns within hypergraph structured data across various domains, including computer vision, complex networks,…

Graph neural networks (GNNs) have been widely used in deep learning on graphs. They can learn effective node representations that achieve superior performances in graph analysis tasks such as node classification and node clustering.…

Graph neural networks (GNNs) provide powerful insights for brain neuroimaging technology from the view of graphical networks. However, most existing GNN-based models assume that the neuroimaging-produced brain connectome network is a…

In recent years, powered by the learned discriminative representation via graph neural network (GNN) models, deep graph matching methods have made great progresses in the task of matching semantic features. However, these methods usually…

Many real-world graphs (networks) are heterogeneous with different types of nodes and edges. Heterogeneous graph embedding, aiming at learning the low-dimensional node representations of a heterogeneous graph, is vital for various…

Molecular representation learning, a cornerstone for downstream tasks like molecular captioning and molecular property prediction, heavily relies on Graph Neural Networks (GNN). However, GNN suffers from the over-smoothing problem, where…

Heterogeneous graph neural network (HGNN) is a very popular technique for the modeling and analysis of heterogeneous graphs. Most existing HGNN-based approaches are supervised or semi-supervised learning methods requiring graphs to 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.…

This paper presents a novel graph-based deep learning model for tasks involving relations between two nodes (edge-centric tasks), where the focus lies on predicting relationships and interactions between pairs of nodes rather than node…

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…

Graph Neural Networks (GNNs) have been highly successful for the node classification task. GNNs typically assume graphs are homophilic, i.e. neighboring nodes are likely to belong to the same class. However, a number of real-world graphs…

Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to…

Graphs are widely used to model the relational structure of data, and the research of graph machine learning (ML) has a wide spectrum of applications ranging from drug design in molecular graphs to friendship recommendation in social…

Self-attention mechanism in graph neural networks (GNNs) led to state-of-the-art performance on many graph representation learning tasks. Currently, at every layer, attention is computed between connected pairs of nodes and depends solely…