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Geometric deep learning has made great strides towards generalizing the design of structure-aware neural networks from traditional domains to non-Euclidean ones, giving rise to graph neural networks (GNN) that can be applied to…

Graph convolutional networks (GCNs) have shown promising results in processing graph data by extracting structure-aware features. This gave rise to extensive work in geometric deep learning, focusing on designing network architectures that…

Graph Convolutional Networks (GCNs) are powerful for processing graph-structured data and have achieved state-of-the-art performance in several tasks such as node classification, link prediction, and graph classification. However, it is…

Graph Convolutional Networks (GCN) is a pioneering model for graph-based semi-supervised learning. However, GCN does not perform well on sparsely-labeled graphs. Its two-layer version cannot effectively propagate the label information to…

Geometric scattering has recently gained recognition in graph representation learning, and recent work has shown that integrating scattering features in graph convolution networks (GCNs) can alleviate the typical oversmoothing of features…

Graph Neural Networks (GNNs) have achieved a lot of success with graph-structured data. However, it is observed that the performance of GNNs does not improve (or even worsen) as the number of layers increases. This effect has known as…

Graph neural networks (GNNs) have been used extensively for addressing problems in drug design and discovery. Both ligand and target molecules are represented as graphs with node and edge features encoding information about atomic elements…

Numerous graph neural network (GNN)-based algorithms have been proposed to solve graph-based combinatorial optimization problems (COPs), but methods to explain their predictions remain largely undeveloped. We introduce ARM-Explainer, a…

The network embedding problem that maps nodes in a graph to vectors in Euclidean space can be very useful for addressing several important tasks on a graph. Recently, graph neural networks (GNNs) have been proposed for solving such a…

Graph Neural Networks (GNNs) are widely applied to graph learning problems such as node classification. When scaling up the underlying graphs of GNNs to a larger size, we are forced to either train on the complete graph and keep the full…

This paper tackles the pressing challenge of mutagenicity prediction by introducing three ground-breaking approaches. First, it showcases the superior performance of 2D scattering coefficients extracted from molecular images, compared to…

Graph neural networks (GNNs) are designed to process data associated with graphs. They are finding an increasing range of applications; however, as with other modern machine learning techniques, their theoretical understanding is limited.…

The scattering transform is a multilayered, wavelet-based transform initially introduced as a model of convolutional neural networks (CNNs) that has played a foundational role in our understanding of these networks' stability and invariance…

Graph Convolution Networks (GCN) are widely used in learning graph representations due to their effectiveness and efficiency. However, they suffer from the notorious over-smoothing problem, in which the learned representations of densely…

Graph Neural Networks (GNNs) suffer from over-smoothing in deep architectures and expressiveness bounded by the 1-Weisfeiler-Leman (1-WL) test. We adapt Manifold-Constrained Hyper-Connections (\mhc)~\citep{xie2025mhc}, recently proposed for…

Implicit Graph Neural Networks (GNNs) have achieved significant success in addressing graph learning problems recently. However, poorly designed implicit GNN layers may have limited adaptability to learn graph metrics, experience…

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…

Graph convolutional networks (GCNs) have achieved promising performance on various graph-based tasks. However they suffer from over-smoothing when stacking more layers. In this paper, we present a quantitative study on this observation and…

Graph Neural Networks (GNNs) have emerged as a prominent research topic in the field of machine learning. Existing GNN models are commonly categorized into two types: spectral GNNs, which are designed based on polynomial graph filters, and…

Numerous recent research on graph neural networks (GNNs) has focused on formulating GNN architectures as an optimization problem with the smoothness assumption. However, in node classification tasks, the smoothing effect induced by GNNs…