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Recently, subgraphs-enhanced Graph Neural Networks (SGNNs) have been introduced to enhance the expressive power of Graph Neural Networks (GNNs), which was proved to be not higher than the 1-dimensional Weisfeiler-Leman isomorphism test. The…

Graph neural networks (GNNs) often struggle to learn discriminative node representations for heterophilic graphs, where connected nodes tend to have dissimilar labels and feature similarity provides weak structural cues. We propose…

Elucidating and accurately predicting the druggability and bioactivities of molecules plays a pivotal role in drug design and discovery and remains an open challenge. Recently, graph neural networks (GNN) have made remarkable advancements…

Subgraph-enhanced graph neural networks (SGNN) can increase the expressive power of the standard message-passing framework. This model family represents each graph as a collection of subgraphs, generally extracted by random sampling or with…

Graph neural networks (GNNs) demonstrate outstanding performance in a broad range of applications. While the majority of GNN applications assume that a graph structure is given, some recent methods substantially expanded the applicability…

The application of graph neural networks (GNNs) to the domain of electrical power grids has high potential impact on smart grid monitoring. Even though there is a natural correspondence of power flow to message-passing in GNNs, their…

Deep Neural Networks(DNN) have excessively advanced the field of computer vision by achieving state of the art performance in various vision tasks. These results are not limited to the field of vision but can also be seen in speech…

Signed graphs model complex relationships through positive and negative edges, with widespread real-world applications. Given the sensitive nature of such data, selective removal mechanisms have become essential for privacy protection.…

How can we find meaningful clusters in a graph robustly against noise edges? Graph clustering (i.e., dividing nodes into groups of similar ones) is a fundamental problem in graph analysis with applications in various fields. Recent studies…

We introduce the concept of a Graph-Informed Neural Network (GINN), a hybrid approach combining deep learning with probabilistic graphical models (PGMs) that acts as a surrogate for physics-based representations of multiscale and…

Graph Neural Networks (GNNs) have emerged as the leading paradigm for solving graph analytical problems in various real-world applications. Nevertheless, GNNs could potentially render biased predictions towards certain demographic…

Deep neural networks(NNs) have achieved impressive performance, often exceed human performance on many computer vision tasks. However, one of the most challenging issues that still remains is that NNs are overconfident in their predictions,…

While Graph Neural Networks (GNNs) have achieved remarkable results in a variety of applications, recent studies exposed important shortcomings in their ability to capture the structure of the underlying graph. It has been shown that the…

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over recent years. Instance-level GNN explanation aims to discover critical input elements, like nodes or edges, that the target GNN…

Uncertainty estimation for unlabeled data is crucial to active learning. With a deep neural network employed as the backbone model, the data selection process is highly challenging due to the potential over-confidence of the model…

The ensemble of unresolved compact binary coalescences is a promising source of the stochastic gravitational wave (GW) background. For stellar-mass black hole binaries, the astrophysical stochastic GW background is expected to exhibit…

Graph Neural Networks (GNNs) have improved unsupervised community detection of clustered nodes due to their ability to encode the dual dimensionality of the connectivity and feature information spaces of graphs. Identifying the latent…

Heterogeneous graph neural networks (HGNNs) have been blossoming in recent years, but the unique data processing and evaluation setups used by each work obstruct a full understanding of their advancements. In this work, we present a…

Separating a stochastic gravitational wave background (SGWB) from noise is a challenging statistical task. One approach to establishing a detection criterion for the SGWB is using Bayesian evidence. If the evidence ratio (Bayes factor)…

Although link prediction on graphs has achieved great success with the development of graph neural networks (GNNs), the potential robustness under the edge noise is still less investigated. To close this gap, we first conduct an empirical…