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Graph Convolution Networks (GCNs) are becoming more and more popular for learning node representations on graphs. Though there exist various developments on sampling and aggregation to accelerate the training process and improve the…

This article presents a graph neural network (GNN) based surrogate modeling approach for fluid-acoustic shape optimization. The GNN model transforms mesh-based simulations into a computational graph, enabling global prediction of pressure…

Graph diffusion models have recently been proposed to synthesize entire graphs, such as molecule graphs. Although existing methods have shown great performance in generating entire graphs for graph-level learning tasks, no graph diffusion…

Short-term water demand forecasting (StWDF) is the foundation stone in the derivation of an optimal plan for controlling water supply systems. Deep learning (DL) approaches provide the most accurate solutions for this purpose. However, they…

Spectral-based graph neural networks (SGNNs) have been attracting increasing attention in graph representation learning. However, existing SGNNs are limited in implementing graph filters with rigid transforms (e.g., graph Fourier or…

The dominant paradigm for machine learning on graphs uses Message Passing Graph Neural Networks (MP-GNNs), in which node representations are updated by aggregating information in their local neighborhood. Recently, there have been…

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 neural networks (GNNs) enable the analysis of graphs using deep learning, with promising results in capturing structured information in graphs. This paper focuses on creating a small graph to represent the original graph, so that GNNs…

We aim to solve the problem of data-driven collision-distance estimation given 3-dimensional (3D) geometries. Conventional algorithms suffer from low accuracy due to their reliance on limited representations, such as point clouds. In…

Graph Neural Networks (GNNs) have received much attention in the graph deep learning domain. However, recent research empirically and theoretically shows that deep GNNs suffer from over-fitting and over-smoothing problems. The usual…

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…

Data imputation is a crucial task due to the widespread occurrence of missing data. Many methods adopt a two-step approach: initially crafting a preliminary imputation (the "draft") and then refining it to produce the final missing data…

In most work to date, graph signal sampling and reconstruction algorithms are intrinsically tied to graph properties, assuming bandlimitedness and optimal sampling set choices. However, practical scenarios often defy these assumptions,…

Reinforcement Learning (RL) methods used for solving real-world optimization problems often involve dynamic state-action spaces, larger scale, and sparse rewards, leading to significant challenges in convergence, scalability, and efficient…

Fast and reliable optimal power flow (OPF) approximation is essential for reliable smart-grid operation, yet many learning-based surrogates either flatten the native heterogeneous structure of power networks, target a limited set of grid…

We present a series of modifications which improve upon Graph WaveNet's previously state-of-the-art performance on the METR-LA traffic prediction task. The goal of this task is to predict the future speed of traffic at each sensor in a…

In this paper, we present a novel generalization of the graph Fourier transform (GFT). Our approach is based on separately considering the definitions of signal energy and signal variation, leading to several possible orthonormal GFTs. Our…

Graph Transformers (GTs) show considerable potential in graph representation learning. The architecture of GTs typically integrates Graph Neural Networks (GNNs) with global attention mechanisms either in parallel or as a precursor to…

While Graph Neural Networks (GNNs) excel on graph-structured data, their performance is fundamentally limited by the quality of the observed graph, which often contains noise, missing links, or structural properties misaligned with GNNs'…

Graph Neural Networks (GNNs) have shown remarkable performance on graph-structured data. However, recent empirical studies suggest that GNNs are very susceptible to distribution shift. There is still significant ambiguity about why…