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Many scientific and engineering processes produce spatially unstructured data. However, most data-driven models require a feature matrix that enforces both a set number and order of features for each sample. They thus cannot be easily…
Deep generative models for graphs have shown great promise in the area of drug design, but have so far found little application beyond generating graph-structured molecules. In this work, we demonstrate a proof of concept for the…
Distributed Graph Neural Network (GNN) training suffers from substantial communication overhead due to the inherent neighborhood dependency in graph-structured data. This neighbor explosion problem requires workers to frequently exchange…
Graph convolution network (GCN) attracts intensive research interest with broad applications. While existing work mainly focused on designing novel GCN architectures for better performance, few of them studied a practical yet challenging…
Data assimilation for parameter and state estimation in subsurface transport problems remains a significant challenge due to the sparsity of measurements, the heterogeneity of porous media, and the high computational cost of forward…
Graph neural networks (GNNs) have been widely adopted in engineering applications such as social network analysis, chemical research and computer vision. However, their efficacy is severely compromised by the inherent homophily assumption,…
Pavement infrastructure monitoring is challenged by complex spatial dependencies, changing environmental conditions, and non-linear deterioration across road networks. Traditional Pavement Management Systems (PMS) remain largely reactive,…
Generative Flow Networks (GFlowNets) are a family of probabilistic generative models that learn to sample compositional objects proportional to their rewards. One big challenge of GFlowNets is training them effectively when dealing with…
As the demand for user privacy grows, controlled data removal (machine unlearning) is becoming an important feature of machine learning models for data-sensitive Web applications such as social networks and recommender systems.…
Background: Windowed Fourier decompositions (WFD) are widely used in measuring stationary and non-stationary spectral phenomena and in describing pairwise relationships among multiple signals. Although a variety of WFDs see frequent…
Knowing the pressure at all times in each node of a water distribution system (WDS) facilitates safe and efficient operation. Yet, complete measurement data cannot be collected due to the limited number of instruments in a real-life WDS.…
The growing complexity of wireless systems has accelerated the move from traditional methods to learning-based solutions. Graph Neural Networks (GNNs) are especially well-suited here, since wireless networks can be naturally represented as…
Obtaining system parameters and reconstructing the full flow state from limited velocity observations using conventional fluid dynamics solvers can be prohibitively expensive. Here we employ machine learning algorithms to overcome the…
Graph Neural Networks (GNNs) face two fundamental challenges when scaled to deep architectures: oversmoothing, where node representations converge to indistinguishable vectors, and oversquashing, where information from distant nodes fails…
Graph Neural Networks (GNNs) have demonstrated effectiveness in collaborative filtering tasks due to their ability to extract powerful structural features. However, combining the graph features extracted from user-item interactions and…
With the increasing demands of training graph neural networks (GNNs) on large-scale graphs, graph data condensation has emerged as a critical technique to relieve the storage and time costs during the training phase. It aims to condense the…
Graph data, with its structurally variable nature, represents complex real-world phenomena like chemical compounds, protein structures, and social networks. Traditional Graph Neural Networks (GNNs) primarily utilize the message-passing…
Graphs are central to modeling complex systems in domains such as social networks, molecular chemistry, and neuroscience. While Graph Neural Networks, particularly Graph Convolutional Networks, have become standard tools for graph learning,…
Fifth-generation (5G) core networks in network digital twins (NDTs) are complex systems with numerous components, generating considerable data. Analyzing these data can be challenging due to rare failure types, leading to imbalanced classes…
Graph Neural Networks (GNNs) have demonstrated remarkable efficacy in tackling a wide array of graph-related tasks across diverse domains. However, a significant challenge lies in their propensity to generate biased predictions,…