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Dynamic interactions between entities are prevalent in domains like social platforms, financial systems, healthcare, and e-commerce. These interactions can be effectively represented as time-evolving graphs, where predicting future…
Graph Transformers (GTs) have emerged as powerful architectures for graph-structured data, yet remain constrained by rigid designs and lack quantifiable interpretability. Current state-of-the-art GTs commit to fixed GNN types across all…
Graph-based Neural Networks (GNNs) are recent models created for learning representations of nodes (and graphs), which have achieved promising results when detecting patterns that occur in large-scale data relating different entities. Among…
Aside from graph neural networks (GNNs) attracting significant attention as a powerful framework revolutionizing graph representation learning, there has been an increasing demand for explaining GNN models. Although various explanation…
Many real-world ubiquitous applications, such as parking recommendations and air pollution monitoring, benefit significantly from accurate long-term spatio-temporal forecasting (LSTF). LSTF makes use of long-term dependency between spatial…
Simulating spatiotemporal turbulence with high fidelity remains a cornerstone challenge in computational fluid dynamics (CFD) due to its intricate multiscale nature and prohibitive computational demands. Traditional approaches typically…
Accurate prediction of permeability in porous media is essential for modeling subsurface flow. While pure data-driven models offer computational efficiency, they often lack generalization across scales and do not incorporate explicit…
Inference queries have been routinely issued to graph machine learning models such as graph neural networks (GNNs) for various network analytical tasks. Nevertheless, GNN outputs are often hard to interpret comprehensively. Existing methods…
Real-time and precise traffic flow prediction is vital for the efficiency of intelligent transportation systems. Traditional methods often employ graph neural networks (GNNs) with predefined graphs to describe spatial correlations among…
Graph Neural Networks (GNNs) have emerged as potent tools for predicting outcomes in graph-structured data. Despite their efficacy, a significant drawback of GNNs lies in their limited ability to provide robust uncertainty estimates, posing…
This paper proposes a Fast Graph Convolutional Neural Network (FGRNN) architecture to predict sequences with an underlying graph structure. The proposed architecture addresses the limitations of the standard recurrent neural network (RNN),…
Graph Neural Networks (GNNs) are widely adopted in advanced AI systems due to their capability of representation learning on graph data. Even though GNN explanation is crucial to increase user trust in the systems, it is challenging due to…
Graph Neural Networks (GNNs) have demonstrated impressive performance in learning representations from graph-structured data. However, their message-passing mechanism inherently relies on the assumption of label consistency among connected…
Training deep graph neural networks (GNNs) poses a challenging task, as the performance of GNNs may suffer from the number of hidden message-passing layers. The literature has focused on the proposals of {over-smoothing} and…
Streamflow plays an essential role in the sustainable planning and management of national water resources. Traditional hydrologic modeling approaches simulate streamflow by establishing connections across multiple physical processes, such…
Graph neural networks (GNNs) have demonstrated a significant boost in prediction performance on graph data. At the same time, the predictions made by these models are often hard to interpret. In that regard, many efforts have been made to…
Graph neural networks (GNNs) are popular machine learning models for graphs with many applications across scientific domains. However, GNNs are considered black box models, and it is challenging to understand how the model makes…
Pre-trained graph neural networks (GNNs) transfer well, but adapting them to downstream tasks remains challenging due to mismatches between pre-training objectives and task requirements. Graph prompt tuning offers a parameter-efficient…
Accurately forecasting dynamic processes on graphs, such as traffic flow or disease spread, remains a challenge. While Graph Neural Networks (GNNs) excel at modeling and forecasting spatio-temporal data, they often lack the ability to…
Graph Neural Networks (GNNs) excel at learning from structured data, yet fairness in regression tasks remains underexplored. Existing approaches mainly target classification and representation-level debiasing, which cannot fully address the…