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Graph Neural Networks (GNNs) draw their strength from explicitly modeling the topological information of structured data. However, existing GNNs suffer from limited capability in capturing the hierarchical graph representation which plays…

Recently, there have been some breakthroughs in graph analysis by applying the graph neural networks (GNNs) following a neighborhood aggregation scheme, which demonstrate outstanding performance in many tasks. However, we observe that the…

We propose an $\alpha$-separable graph Hamiltonian network ($\alpha$-SGHN) that reveals complex interaction patterns between particles in lattice systems. Utilizing trajectory data, $\alpha$-SGHN infers potential interactions without prior…

Temporal networks are suitable for modeling complex evolving systems. It has a wide range of applications, such as social network analysis, recommender systems, and epidemiology. Recently, modeling such dynamic systems has drawn great…

Graph Neural Networks (GNNs) often assume strong homophily for graph classification, seldom considering heterophily, which means connected nodes tend to have different class labels and dissimilar features. In real-world scenarios, graphs…

Machine learning (ML) based materials discovery has emerged as one of the most promising approaches for breakthroughs in materials science. While heuristic knowledge based descriptors have been combined with ML algorithms to achieve good…

Spatio-temporal time series (STTS) have been widely used in many applications. However, accurately forecasting STTS is challenging due to complex dynamic correlations in both time and space dimensions. Existing graph neural networks…

Graph neural networks (GNNs) have shown promise in learning the ground-state electronic properties of materials, subverting ab initio density functional theory (DFT) calculations when the underlying lattices can be represented as small…

Numerical simulators are essential tools in the study of natural fluid-systems, but their performance often limits application in practice. Recent machine-learning approaches have demonstrated their ability to accelerate spatio-temporal…

Correctly capturing intraoperative brain shift in image-guided neurosurgical procedures is a critical task for aligning preoperative data with intraoperative geometry for ensuring accurate surgical navigation. While the finite element…

Graph neural networks (GNNs) have emerged as a versatile and efficient option for modeling the dynamic behavior of deformable materials. While GNNs generalize readily to arbitrary shapes, mesh topologies, and material parameters, existing…

Graph Neural Networks (GNNs) are deep learning models that take graph data as inputs, and they are applied to various tasks such as traffic prediction and molecular property prediction. However, owing to the complexity of the GNNs, it has…

Graph neural networks have become an important tool for modeling structured data. In many real-world systems, intricate hidden information may exist, e.g., heterogeneity in nodes/edges, static node/edge attributes, and spatiotemporal…

We present a Morphology-Informed Heterogeneous Graph Neural Network (MI-HGNN) for learning-based contact perception. The architecture and connectivity of the MI-HGNN are constructed from the robot morphology, in which nodes and edges are…

Computational Intelligence (CI) techniques have shown great potential as a surrogate model of expensive physics simulation, with demonstrated ability to make fast predictions, albeit at the expense of accuracy in some cases. For many…

Brain biometrics based on electroencephalography (EEG) have been used increasingly for personal identification. Traditional machine learning techniques as well as modern day deep learning methods have been applied with promising results. In…

In massive multi-input multi-output (MIMO) systems, the main bottlenecks of location- and orientation-assisted beam alignment using deep neural networks (DNNs) are large training overhead and significant performance degradation. This paper…

Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

The heterogeneity of breast cancer presents considerable challenges for its early detection, prognosis, and treatment selection. Convolutional neural networks often neglect the spatial relationships within histopathological images, which…

Graph Neural Networks (GNNs) are exemplary deep models designed for graph data. Message passing mechanism enables GNNs to effectively capture graph topology and push the performance boundaries across various graph tasks. However, the trend…