相关论文: Graph neural network force fields for adiabatic dy…
We propose a framework that automatically transforms non-scalable GNNs into precomputation-based GNNs which are efficient and scalable for large-scale graphs. The advantages of our framework are two-fold; 1) it transforms various…
We explore the use of graph neural networks (GNNs) to model spatial processes in which there is no a priori graphical structure. Similar to finite element analysis, we assign nodes of a GNN to spatial locations and use a computational…
Current graph neural networks (GNNs) lack generalizability with respect to scales (graph sizes, graph diameters, edge weights, etc..) when solving many graph analysis problems. Taking the perspective of synthesizing graph theory programs,…
Graph neural networks (GNNs) have become powerful tools for processing graph-based information in various domains. A desirable property of GNNs is transferability, where a trained network can swap in information from a different graph…
Graph Neural Networks (GNNs) have emerged as the de facto standard for modeling graph data, with attention mechanisms and transformers significantly enhancing their performance on graph-based tasks. Despite these advancements, the…
We present a new class of equivariant neural networks, hereby dubbed Lattice-Equivariant Neural Networks (LENNs), designed to satisfy local symmetries of a lattice structure. Our approach develops within a recently introduced framework…
Reinforcement learning is well known for its ability to model sequential tasks and learn latent data patterns adaptively. Deep learning models have been widely explored and adopted in regression and classification tasks. However, deep…
Graph Neural Networks (GNNs) are playing an increasingly important role in the efficient operation and security of computing systems, with applications in workload scheduling, anomaly detection, and resource management. However, their…
Graph neural networks (GNNs) have been extensively studied for prediction tasks on graphs. As pointed out by recent studies, most GNNs assume local homophily, i.e., strong similarities in local neighborhoods. This assumption however limits…
Graph neural networks (GNNs) have recently been demonstrated to perform well on a variety of network-based tasks such as decentralized control and resource allocation, and provide computationally efficient methods for these tasks which have…
Graph neural networks (GNNs) have achieved success in various inference tasks on graph-structured data. However, common challenges faced by many GNNs in the literature include the problem of graph node embedding under various geometries and…
Capturing long-range dependencies in feature representations is crucial for many visual recognition tasks. Despite recent successes of deep convolutional networks, it remains challenging to model non-local context relations between visual…
Graph neural network (GNN) has shown superior performance in dealing with graphs, which has attracted considerable research attention recently. However, most of the existing GNN models are primarily designed for graphs in Euclidean spaces.…
Graph neural networks (GNNs) model nonlinear representations in graph data with applications in distributed agent coordination, control, and planning among others. Current GNN architectures assume ideal scenarios and ignore link…
In this paper, we present LBM-GNN, a novel approach that enhances the traditional Lattice Boltzmann Method (LBM) with Graph Neural Networks (GNNs). We apply this method to fluid dynamics simulations, demonstrating improved stability and…
Geometric deep learning enables the encoding of physical symmetries in modeling 3D objects. Despite rapid progress in encoding 3D symmetries into Graph Neural Networks (GNNs), a comprehensive evaluation of the expressiveness of these…
Neural forecasting of spatiotemporal time series drives both research and industrial innovation in several relevant application domains. Graph neural networks (GNNs) are often the core component of the forecasting architecture. However, in…
Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…
Graph neural networks (GNNs) have exhibited exceptional efficacy in a diverse array of applications. However, the sheer size of large-scale graphs presents a significant challenge to real-time inference with GNNs. Although existing Scalable…
Graph neural networks (GNNs) provide state-of-the-art results in a wide variety of tasks which typically involve predicting features at the vertices of a graph. They are built from layers of graph convolutions which serve as a powerful…