Related papers: Unsupervised Graph Neural Network Reveals the Stru…

Graph neural networks (GNNs) are among the most powerful tools in deep learning. They routinely solve complex problems on unstructured networks, such as node classification, graph classification, or link prediction, with high accuracy.…

Most Graph Neural Networks (GNNs) predict the labels of unseen graphs by learning the correlation between the input graphs and labels. However, by presenting a graph classification investigation on the training graphs with severe bias,…

Graphs are commonly used to characterise interactions between objects of interest. Because they are based on a straightforward formalism, they are used in many scientific fields from computer science to historical sciences. In this paper,…

Graph neural networks (GNNs), which learn the representation of a node by aggregating its neighbors, have become an effective computational tool in downstream applications. Over-smoothing is one of the key issues which limit the performance…

We propose a novel method to explain trained deep neural networks (DNNs), by distilling them into surrogate models using unsupervised clustering. Our method can be applied flexibly to any subset of layers of a DNN architecture and can…

The emergence of deep learning (DL) has provided great opportunities for the high-throughput analysis of atomic-resolution micrographs. However, the DL models trained by image patches in fixed size generally lack efficiency and flexibility…

Traditional Graph Neural Network (GNN), as a graph representation learning method, is constrained by label information. However, Graph Contrastive Learning (GCL) methods, which tackle the label problem effectively, mainly focus on the…

Graph Neural Networks (GNNs) have recently been explored as surrogate models for numerical simulations. While their applications in computational fluid dynamics have been investigated, little attention has been given to structural problems,…

In this study, we propose using a neural embedding model-graph neural network (GNN)- that leverages the heterogeneous features of urban areas and their interactions captured by human mobility network to obtain vector representations of…

Unsupervised graph-level anomaly detection (UGAD) has garnered increasing attention in recent years due to its significance. Most existing methods that rely on traditional GNNs mainly consider pairwise relationships between first-order…

Link prediction is a classical problem in graph analysis with many practical applications. For directed graphs, recently developed deep learning approaches typically analyze node similarities through contrastive learning and aggregate…

Various machine learning models have been used to predict the properties of polycrystalline materials, but none of them directly consider the physical interactions among neighboring grains despite such microscopic interactions critically…

Graph neural networks (GNNs) have attracted much attention due to their ability to leverage the intrinsic geometries of the underlying data. Although many different types of GNN models have been developed, with many benchmarking procedures…

The robustness of synchronization is typically characterized by scalar, per-node stability indices whose dependence on topology is studied via network science or graph neural networks (GNNs). We propose a novel upstream task, learning…

Graph neural networks (GNNs) are an emerging model for learning graph embeddings and making predictions on graph structured data. However, robustness of graph neural networks is not yet well-understood. In this work, we focus on node…

Multiplex networks are complex graph structures in which a set of entities are connected to each other via multiple types of relations, each relation representing a distinct layer. Such graphs are used to investigate many complex…

Graph neural networks (GNNs) are a well-regarded tool for learned control of networked dynamical systems due to their ability to be deployed in a distributed manner. However, current distributed GNN architectures assume that all nodes in…

Understanding the dynamical processes that govern the performance of functional materials is essential for the design of next generation materials to tackle global energy and environmental challenges. Many of these processes involve the…

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

This paper studies the interplay between learning algorithms and graph structure for graph neural networks (GNNs). Existing theoretical studies on the learning dynamics of GNNs primarily focus on the convergence rates of learning algorithms…