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Graph convolutional neural networks (GCNNs) have received much attention recently, owing to their capability in handling graph-structured data. Among the existing GCNNs, many methods can be viewed as instances of a neural message passing…

The pioneering work of Oono and Suzuki [ICLR, 2020] and Cai and Wang [arXiv:2006.13318] initializes the analysis of the smoothness of graph convolutional network (GCN) features. Their results reveal an intricate empirical correlation…

By recursively summing node features over entire neighborhoods, spatial graph convolution operators have been heralded as key to the success of Graph Neural Networks (GNNs). Yet, despite the multiplication of GNN methods across tasks and…

In this paper, we explore the approximation theory of functions defined on graphs. Our study builds upon the approximation results derived from the $K$-functional. We establish a theoretical framework to assess the lower bounds of…

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.…

Increasing the depth of GCN, which is expected to permit more expressivity, is shown to incur performance detriment especially on node classification. The main cause of this lies in over-smoothing. The over-smoothing issue drives the output…

Graph convolutional neural networks (GCNs) generalize tradition convolutional neural networks (CNNs) from low-dimensional regular graphs (e.g., image) to high dimensional irregular graphs (e.g., text documents on word embeddings). Due to…

Graph Convolutional Networks (GCNs) are one of the most popular architectures that are used to solve classification problems accompanied by graphical information. We present a rigorous theoretical understanding of the effects of graph…

Residual connections and normalization layers have become standard design choices for graph neural networks (GNNs), and were proposed as solutions to the mitigate the oversmoothing problem in GNNs. However, how exactly these methods help…

In CFD, mesh smoothing methods are commonly utilized to refine the mesh quality to achieve high-precision numerical simulations. Specifically, optimization-based smoothing is used for high-quality mesh smoothing, but it incurs significant…

How sensitive should machine learning models be to input changes? We tackle the question of model smoothness and show that it is a useful inductive bias which aids generalization, adversarial robustness, generative modeling and…

Graph Neural Networks (GNNs) have risen to prominence in learning representations for graph structured data. A single GNN layer typically consists of a feature transformation and a feature aggregation operation. The former normally uses…

Graph Neural Networks (GNNs) have emerged as one of the leading approaches for machine learning on graph-structured data. Despite their great success, critical computational challenges such as over-smoothing, over-squashing, and limited…

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…

Graph neural networks are increasingly becoming the go-to approach in various fields such as computer vision, computational biology and chemistry, where data are naturally explained by graphs. However, unlike traditional convolutional…

Despite Graph neural networks' significant performance gain over many classic techniques in various graph-related downstream tasks, their successes are restricted in shallow models due to over-smoothness and the difficulties of…

Graph Neural Networks (GNNs) have achieved impressive performance in collaborative filtering. However, GNNs tend to yield inferior performance when the distributions of training and test data are not aligned well. Also, training GNNs…

Physics-informed Graph Neural Networks have achieved remarkable performance in learning through graph-structured data by mitigating common GNN challenges such as over-smoothing, over-squashing, and heterophily adaption. Despite these…

Oversmoothing has been assumed to be the major cause of performance drop in deep graph convolutional networks (GCNs). In this paper, we propose a new view that deep GCNs can actually learn to anti-oversmooth during training. This work…

Neural network ensembles, such as Bayesian neural networks (BNNs), have shown success in the areas of uncertainty estimation and robustness. However, a crucial challenge prohibits their use in practice. BNNs require a large number of…