相关论文: Graph neural network force fields for adiabatic dy…

Graph neural networks (GNNs) are a powerful tool to learn representations on graphs by iteratively aggregating features from node neighbourhoods. Many variant models have been proposed, but there is limited understanding on both how to…

Soft tissue simulation in virtual environments is becoming increasingly important for medical applications. However, the high deformability of soft tissue poses significant challenges. Existing methods rely on segmentation, meshing and…

In the presented work, we propose to apply the framework of graph neural networks (GNNs) to predict the dynamics of a rolling element bearing. This approach offers generalizability and interpretability, having the potential for scalable use…

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Graph neural networks (GNNs) are powerful tools for developing scalable, decentralized artificial intelligence in large-scale networked systems, such as wireless networks, power grids, and transportation networks. Currently, GNNs in…

Graph neural networks (GNNs), in general, are built on the assumption of a static set of features characterizing each node in a graph. This assumption is often violated in practice. Existing methods partly address this issue through feature…

Lagrangian and Hamiltonian neural networks (LNNs and HNNs, respectively) encode strong inductive biases that allow them to outperform other models of physical systems significantly. However, these models have, thus far, mostly been limited…

Graph Neural Networks (GNNs) have become the de facto standard for learning on relational data. While traditional GNNs' message passing is well suited for vector-valued node features, there are cases in which node features are better…

The present paradigm in design and modelling of lattice architected mechanical metamaterials is mostly limited to traditional numerical methods like finite element analysis. Recently, the use of machine learning and artificial intelligence…

Graph neural networks (GNNs) appear to be powerful tools to learn state representations for agents in distributed, decentralized multi-agent systems, but generate catastrophically incorrect predictions when nodes update asynchronously…

Machine learning (ML) and deep learning (DL) techniques have gained significant attention as reduced order models (ROMs) to computationally expensive structural analysis methods, such as finite element analysis (FEA). Graph neural network…

Graph Neural Networks (GNNs) have established themselves as a key component in addressing diverse graph-based tasks. Despite their notable successes, GNNs remain susceptible to input perturbations in the form of adversarial attacks. This…

This work proposes a novel methodology for turbulence modeling in Large Eddy Simulation (LES) based on Graph Neural Networks (GNNs), which embeds the discrete rotational, reflectional and translational symmetries of the Navier-Stokes…

The integration of Graph Neural Networks (GNNs) and Neural Ordinary and Partial Differential Equations has been extensively studied in recent years. GNN architectures powered by neural differential equations allow us to reason about their…

The control of high-dimensional systems, such as soft robots, requires models that faithfully capture complex dynamics while remaining computationally tractable. This work presents a framework that integrates Graph Neural Network…

Graph is a flexible and effective tool to represent complex structures in practice and graph neural networks (GNNs) have been shown to be effective on various graph tasks with randomly separated training and testing data. In real…

Graph Neural Networks (graph NNs) are a promising deep learning approach for analyzing graph-structured data. However, it is known that they do not improve (or sometimes worsen) their predictive performance as we pile up many layers and add…

Recent advances in neural algorithmic reasoning with graph neural networks (GNNs) are propped up by the notion of algorithmic alignment. Broadly, a neural network will be better at learning to execute a reasoning task (in terms of sample…

Dynamical systems consisting of a set of autonomous agents face the challenge of having to accomplish a global task, relying only on local information. While centralized controllers are readily available, they face limitations in terms of…

Quantum simulators have the potential to solve quantum many-body problems that are beyond the reach of classical computers, especially when they feature long-range entanglement. To fulfill their prospects, quantum simulators must be fully…