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Scene graph generation (SGG) aims to detect objects in an image along with their pairwise relationships. There are three key properties of scene graph that have been underexplored in recent works: namely, the edge direction information, the…

Recently many efforts have been devoted to applying graph neural networks (GNNs) to molecular property prediction which is a fundamental task for computational drug and material discovery. One of major obstacles to hinder the successful…

Deep learning is a hot research topic in the field of machine learning methods and applications. Generative Adversarial Networks (GANs) and Variational Auto-Encoders (VAEs) provide impressive image generations from Gaussian white noise, but…

Modeling spatial heterogeneity in the data generation process is essential for understanding and predicting geographical phenomena. Despite their prevalence in geospatial tasks, neural network models usually assume spatial stationarity,…

The integration of multi-omics single-cell data remains challenging due to high-dimensionality and complex inter-modality relationships. To address this, we introduce MoRE-GNN (Multi-omics Relational Edge Graph Neural Network), a…

Graph neural networks (GNNs) have emerged as one of the most effective ML techniques for drug effect prediction from drug molecular graphs. Despite having immense potential, GNN models lack performance when using datasets that contain…

Recent research on graph neural networks (GNNs) has explored mechanisms for capturing local uncertainty and exploiting graph hierarchies to mitigate data sparsity and leverage structural properties. However, the synergistic integration of…

Spatially embedded networks (SENs) represent a special type of complex graph, whose topologies are constrained by the networks' embedded spatial environments. The graph representation of such networks is thereby influenced by the embedded…

Graph matching is a commonly used technique in computer vision and pattern recognition. Recent data-driven approaches have improved the graph matching accuracy remarkably, whereas some traditional algorithm-based methods are more robust to…

In this paper, we propose a graph neural network to detect objects from a LiDAR point cloud. Towards this end, we encode the point cloud efficiently in a fixed radius near-neighbors graph. We design a graph neural network, named Point-GNN,…

Graph Transformers have recently attracted attention for molecular property prediction by combining the inductive biases of graph neural networks (GNNs) with the global receptive field of Transformers. However, many existing hybrid…

Graph Neural Networks (GNN) can capture the geometric properties of neural representations in EEG data. Here we utilise those to study how reinforcement-based motor learning affects neural activity patterns during motor planning, leveraging…

Accurate prediction of blood-brain barrier permeability (BBBP) is essential for central nervous system (CNS) drug development. While graph neural networks (GNNs) have advanced molecular property prediction, they often rely on molecular…

Graph generation is a crucial task in many fields, including network science and bioinformatics, as it enables the creation of synthetic graphs that mimic the properties of real-world networks for various applications. Graph Generative…

In the realm of quantum-effect devices and materials, two-dimensional electron gases (2DEGs) stand as fundamental structures that promise transformative technologies. However, the presence of impurities and defects in 2DEGs poses…

While Generative Adversarial Networks (GANs) have seen huge successes in image synthesis tasks, they are notoriously difficult to adapt to different datasets, in part due to instability during training and sensitivity to hyperparameters.…

Graph neural networks (GNN) has been demonstrated to be effective in classifying graph structures. To further improve the graph representation learning ability, hierarchical GNN has been explored. It leverages the differentiable pooling to…

Nowadays the development of new functional materials/chemical compounds using machine learning (ML) techniques is a hot topic and includes several crucial steps, one of which is the choice of chemical structure representation. Classical…

We propose a novel approach for visual representation learning called Signature-Graph Neural Networks (SGN). SGN learns latent global structures that augment the feature representation of Convolutional Neural Networks (CNN). SGN constructs…

This paper presents Planar Gaussian Splatting (PGS), a novel neural rendering approach to learn the 3D geometry and parse the 3D planes of a scene, directly from multiple RGB images. The PGS leverages Gaussian primitives to model the scene…