Related papers: MAGNET: an open-source library for mesh agglomerat…

In CFD, mesh smoothing methods are commonly utilized to refine the mesh quality to achieve high-precision numerical simulations. Specifically, optimization-based smoothing is used for high-quality mesh smoothing, but it incurs significant…

Molecular sciences address a wide range of problems involving molecules of different types and sizes and their complexes. Recently, geometric deep learning, especially Graph Neural Networks, has shown promising performance in molecular…

Set-based learning is an essential component of modern deep learning and network science. Graph Neural Networks (GNNs) and their edge-free counterparts Deepsets have proven remarkably useful on ragged and topologically challenging datasets.…

Graph Neural Networks (GNNs) are becoming a promising technique in various domains due to their excellent capabilities in modeling non-Euclidean data. Although a spectrum of accelerators has been proposed to accelerate the inference of…

Tuning hyperparameters for machine learning algorithms is a tedious task, one that is typically done manually. To enable automated hyperparameter tuning, recent works have started to use techniques based on Bayesian optimization. However,…

Learning to reason about relations and dynamics over multiple interacting objects is a challenging topic in machine learning. The challenges mainly stem from that the interacting systems are exponentially-compositional, symmetrical, and…

In this paper, we focus on multimedia recommender systems using graph convolutional networks (GCNs) where the multimodal features as well as user-item interactions are employed together. Our study aims to exploit multimodal features more…

Numerical modeling of polycrystal plasticity is computationally intensive. We employ Graph Neural Networks (GNN) to predict stresses on complex geometries for polycrystal plasticity from Finite Element Method (FEM) simulations. We present a…

A graph neural network (GNN) approach is introduced in this work which enables mesh-based three-dimensional super-resolution of fluid flows. In this framework, the GNN is designed to operate not on the full mesh-based field at once, but on…

A computational framework that leverages data from self-consistent field theory simulations with deep learning to accelerate the exploration of parameter space for block copolymers is presented. This is a substantial two-dimensional…

Networks are a powerful tool to model complex systems, and the definition of many Graph Neural Networks (GNN), Deep Learning algorithms that can handle networks, has opened a new way to approach many real-world problems that would be hardly…

Recently, graph convolutional networks (GCNs) have shown great potential for the task of graph matching. It can integrate graph node feature embedding, node-wise affinity learning and matching optimization together in a unified end-to-end…

Graph Neural Networks (GNNs) have gained significant traction for simulating complex physical systems, with models like MeshGraphNet demonstrating strong performance on unstructured simulation meshes. However, these models face several…

Recent advances in geometric deep-learning introduce complex computational challenges for evaluating the distance between meshes. From a mesh model, point clouds are necessary along with a robust distance metric to assess surface quality or…

Multimodal Attributed Graphs (MAGs) are ubiquitous in real-world applications, encompassing extensive knowledge through multimodal attributes attached to nodes (e.g., texts and images) and topological structure representing node…

The prediction of physicochemical properties from molecular structures is a crucial task for artificial intelligence aided molecular design. A growing number of Graph Neural Networks (GNNs) have been proposed to address this challenge.…

Graph Neural Networks (GNNs) are emerging ML models to analyze graph-structure data. Graph Neural Network (GNN) execution involves both compute-intensive and memory-intensive kernels, the latter dominates the total time, being significantly…

Graph neural networks (GNNs) have been widely investigated in the field of semi-supervised graph machine learning. Most methods fail to exploit adequate graph information when labeled data is limited, leading to the problem of…

The simulation of complex physical systems using a discretized mesh is a cornerstone of applied mechanics, but traditional numerical solvers are often computationally prohibitive for many-query tasks. While Graph Neural Networks (GNNs) have…

Graph Neural Networks (GNNs) are powerful tools for learning from graph-structured data, but their scalability is increasingly strained by the size of real-world graphs in domains like recommender systems, fraud detection, and molecular…