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Implicit graph neural networks have gained popularity in recent years as they capture long-range dependencies while improving predictive performance in static graphs. Despite the tussle between performance degradation due to the…

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…

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…

A large number of real-world networks include multiple types of nodes and edges. Graph Neural Network (GNN) emerged as a deep learning framework to generate node and graph embeddings for downstream machine learning tasks. However, popular…

Graph convolutional networks (GCNs) have been employed as a kind of significant tool on many graph-based applications recently. Inspired by convolutional neural networks (CNNs), GCNs generate the embeddings of nodes by aggregating the…

Graph Neural Network (GNN) ushered in a new era of machine learning with interconnected datasets. While traditional neural networks can only be trained on independent samples, GNN allows for the inclusion of inter-sample interactions in the…

Heterogeneous graph neural networks (HGNNs) have demonstrated strong capability in modeling complex semantics across multi-type nodes and relations. However, their scalability to large-scale graphs remains challenging due to structural…

Graphons are general and powerful models for generating graphs of varying size. In this paper, we propose to directly model graphons using neural networks, obtaining Implicit Graphon Neural Representation (IGNR). Existing work in modeling…

Graphs are versatile tools for representing structured data. As a result, a variety of machine learning methods have been studied for graph data analysis. Although many such learning methods depend on the measurement of differences between…

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…

Networks are ubiquitous in the real world. Link prediction, as one of the key problems for network-structured data, aims to predict whether there exists a link between two nodes. The traditional approaches are based on the explicit…

Small subgraphs (graphlets) are important features to describe fundamental units of a large network. The calculation of the subgraph frequency distributions has a wide application in multiple domains including biology and engineering.…

Graph Convolution Network (GCN) has attracted significant attention and become the most popular method for learning graph representations. In recent years, many efforts have been focused on integrating GCN into the recommender tasks and…

$\textbf{Graph Coarsening (GC)}$ is a prominent graph reduction technique that compresses large graphs to enable efficient learning and inference. However, existing GC methods generate only one coarsened graph per run and must recompute…

Training of Relational Graph Convolutional Networks (R-GCN) is a memory intense task. The amount of gradient information that needs to be stored during training for real-world graphs is often too large for the amount of memory available on…

Graph neural networks (GNNs) have extended the success of deep neural networks (DNNs) to non-Euclidean graph data, achieving ground-breaking performance on various tasks such as node classification and graph property prediction.…

Graph Convolutional Networks (GCNs) have recently been shown to be quite successful in modeling graph-structured data. However, the primary focus has been on handling simple undirected graphs. Multi-relational graphs are a more general and…

Graph neural networks (GNNs) are powerful tools on graph data. However, their predictions are mis-calibrated and lack interpretability, limiting their adoption in critical applications. To address this issue, we propose a new…

Probabilistic graphical models provide a powerful tool to describe complex statistical structure, with many real-world applications in science and engineering from controlling robotic arms to understanding neuronal computations. A major…

Graph similarity measurement, which computes the distance/similarity between two graphs, arises in various graph-related tasks. Recent learning-based methods lack interpretability, as they directly transform interaction information between…