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Graph Neural Networks (GNNs) have shown success in many real-world applications that involve graph-structured data. Most of the existing single-node GNN training systems are capable of training medium-scale graphs with tens of millions of…

Graph Neural Networks (GNNs) with attention have been successfully applied for learning visual feature matching. However, current methods learn with complete graphs, resulting in a quadratic complexity in the number of features. Motivated…

Graph Neural Networks (GNNs) have been widely employed for feature representation learning in molecular graphs. Therefore, it is crucial to enhance the expressiveness of feature representation to ensure the effectiveness of GNNs. However, a…

With massive amounts of atomic simulation data available, there is a huge opportunity to develop fast and accurate machine learning models to approximate expensive physics-based calculations. The key quantity to estimate is atomic forces,…

While Graph Neural Networks (GNNs) are powerful models for learning representations on graphs, most state-of-the-art models do not have significant accuracy gain beyond two to three layers. Deep GNNs fundamentally need to address: 1).…

With the increasing popularity of graph-based learning, Graph Neural Networks (GNNs) win lots of attention from the research and industry field because of their high accuracy. However, existing GNNs suffer from high memory footprints (e.g.,…

Nonlinear finite element crash simulations are accurate but computationally expensive, limiting their use in iterative design optimisation. Machine-learning surrogate models based on graph neural networks (GNNs) offer a faster alternative.…

Graph Neural Networks (GNNs) are a computationally efficient method to learn embeddings and classifications on graph data. However, GNN training has low computational intensity, making communication costs the bottleneck for scalability.…

The DenseNet architecture is highly computationally efficient as a result of feature reuse. However, a naive DenseNet implementation can require a significant amount of GPU memory: If not properly managed, pre-activation batch normalization…

Deep neural networks (DNNs) are used by different applications that are executed on a range of computer architectures, from IoT devices to supercomputers. The footprint of these networks is huge as well as their computational and…

The scalable solution of large sparse linear systems is a bottleneck in scientific computing and graph analysis. While algebraic multigrid (AMG) offers optimal linear scaling, its performance is severely constrained by the trade-off between…

Graph Convolutional Networks (GCNs) are recently getting much attention in bioinformatics and chemoinformatics as a state-of-the-art machine learning approach with high accuracy. GCNs process convolutional operations along with graph…

Graph neural network training is mainly categorized into mini-batch and full-batch training methods. The mini-batch training method samples subgraphs from the original graph in each iteration. This sampling operation introduces extra…

Neural fields have emerged as a powerful framework for representing continuous multidimensional signals such as images and videos, 3D and 4D objects and scenes, and radiance fields. While efficient, achieving high-quality representation…

Simulating physics using Graph Neural Networks (GNNs) is predominantly driven by message-passing architectures, which face challenges in scaling and efficiency, particularly in handling large, complex meshes. These architectures have…

Graph neural networks (GNNs) have seen extensive application in domains such as social networks, bioinformatics, and recommendation systems. However, the irregularity and sparsity of graph data challenge traditional computing methods, which…

Scalability of Graph Neural Networks (GNNs) remains a significant challenge. To tackle this, methods like coarsening, condensation, and computation trees are used to train on a smaller graph, resulting in faster computation. Nonetheless,…

Graph Neural Networks (GNNs) have demonstrated remarkable success in various applications, yet they often struggle to capture long-range dependencies (LRD) effectively. This paper introduces GraphMinNet, a novel GNN architecture that…

Chemistry Foundation Models (CFMs) that leverage Graph Neural Networks (GNNs) operating on 3D molecular graph structures are becoming indispensable tools for computational chemists and materials scientists. These models facilitate the…

Graph neural networks (GNNs) have recently exploded in popularity thanks to their broad applicability to graph-related problems such as quantum chemistry, drug discovery, and high energy physics. However, meeting demand for novel GNN models…