Related papers: Which Hyperparameters to Optimise? An Investigatio…

Graph representation learning aim at integrating node contents with graph structure to learn nodes/graph representations. Nevertheless, it is found that many existing graph learning methods do not work well on data with high heterophily…

We introduce Hyperdimensional Graph Learner (HDGL), a novel method for node classification and link prediction in graphs. HDGL maps node features into a very high-dimensional space (\textit{hyperdimensional} or HD space for short) using the…

Graph Neural Networks (GNNs) are a promising deep learning approach for circumventing many real-world problems on graph-structured data. However, these models usually have at least one of four fundamental limitations: over-smoothing,…

Similar item recommendation is a critical task in the e-Commerce industry, which helps customers explore similar and relevant alternatives based on their interested products. Despite the traditional machine learning models, Graph Neural…

As they carry great potential for modeling complex interactions, graph neural network (GNN)-based methods have been widely used to predict quantum mechanical properties of molecules. Most of the existing methods treat molecules as molecular…

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.…

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…

We investigate machine learning approaches to approximating the \emph{domination number} of graphs, the minimum size of a dominating set. Exact computation of this parameter is NP-hard, restricting classical methods to small instances. We…

Graph Neural Networks (GNNs) have been predominant for graph learning tasks; however, recent studies showed that a well-known graph algorithm, Label Propagation (LP), combined with a shallow neural network can achieve comparable performance…

Graph neural networks (GNNs) have achieved great success for a variety of tasks such as node classification, graph classification, and link prediction. However, the use of GNNs (and machine learning more generally) to solve combinatorial…

Deep Neural Networks have shown tremendous success in the area of object recognition, image classification and natural language processing. However, designing optimal Neural Network architectures that can learn and output arbitrary graphs…

Property prediction plays an important role in material discovery. As an initial step to eventually develop a foundation model for material science, we introduce a new autoencoder called the MHG-GNN, which combines graph neural network…

Graph-based neural network models are gaining traction in the field of representation learning due to their ability to uncover latent topological relationships between entities that are otherwise challenging to identify. These models have…

Graph convolutional networks (GCNs) have been successfully applied in node classification tasks of network mining. However, most of these models based on neighborhood aggregation are usually shallow and lack the "graph pooling" mechanism,…

Graph neural networks (GNNs) have emerged as powerful tools for processing relational data in applications. However, GNNs suffer from the problem of oversmoothing, the property that the features of all nodes exponentially converge to the…

Graph neural networks (GNNs), and especially message-passing neural networks, excel in various domains such as physics, drug discovery, and molecular modeling. The expressivity of GNNs with respect to their ability to discriminate…

In this paper, from a theoretical perspective, we study how powerful graph neural networks (GNNs) can be for learning approximation algorithms for combinatorial problems. To this end, we first establish a new class of GNNs that can solve a…

Model Parsing defines the research task of predicting hyperparameters of the generative model (GM), given a generated image as input. Since a diverse set of hyperparameters is jointly employed by the generative model, and dependencies often…

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

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…