Related papers: Improving the Stability of GNN Force Field Models …

Model fusion aims to integrate several deep neural network (DNN) models' knowledge into one by fusing parameters, and it has promising applications, such as improving the generalization of foundation models and parameter averaging in…

Graph Neural Networks (GNNs) have superior capability in learning graph data. Full-graph GNN training generally has high accuracy, however, it suffers from large peak memory usage and encounters the Out-of-Memory problem when handling large…

Graph neural networks (GNN) have achieved state-of-the-art performance on various industrial tasks. However, the poor efficiency of GNN inference and frequent Out-Of-Memory (OOM) problem limit the successful application of GNN on edge…

Perturbations targeting the graph structure have proven to be extremely effective in reducing the performance of Graph Neural Networks (GNNs), and traditional defenses such as adversarial training do not seem to be able to improve…

Traditional simulation of complex mechanical systems relies on numerical solvers of Partial Differential Equations (PDEs), e.g., using the Finite Element Method (FEM). The FEM solvers frequently suffer from intensive computation cost and…

Fracture is one of the main causes of failure in engineering structures. Phase field methods coupled with adaptive mesh refinement (AMR) techniques have been widely used to model crack propagation due to their ease of implementation and…

This paper presents a novel approach for accelerating n-body simulations by integrating a physics-informed graph neural networks (GNN) with traditional numerical methods. Our method implements a leapfrog-based simulation engine to generate…

As the emerging trend of graph-based deep learning, Graph Neural Networks (GNNs) excel for their capability to generate high-quality node feature vectors (embeddings). However, the existing one-size-fits-all GNN implementations are…

This work presents the application of a recently developed parametric, non-intrusive, and multi-fidelity reduced-order modeling method on high-dimensional displacement and stress fields arising from the structural analysis of geometries…

Graph neural networks (GNNs) have emerged as a versatile and efficient option for modeling the dynamic behavior of deformable materials. While GNNs generalize readily to arbitrary shapes, mesh topologies, and material parameters, existing…

Graph Neural Networks (GNNs) have demonstrated commendable performance for graph-structured data. Yet, GNNs are often vulnerable to adversarial structural attacks as embedding generation relies on graph topology. Existing efforts are…

When training a Neural Network, it is optimized using the available training data with the hope that it generalizes well to new or unseen testing data. At the same absolute value, a flat minimum in the loss landscape is presumed to…

Over the past years, great progress has been made in improving the computing power of general-purpose graphics processing units (GPGPUs), which facilitates the prosperity of deep neural networks (DNNs) in multiple fields like computer…

In asynchronous federated learning (FL), client devices send updates to a central server at varying times based on their computational speed, often using stale versions of the global model. This staleness can degrade the convergence and…

Graph neural networks (GNNs) are gaining increasing popularity as a promising approach to machine learning on graphs. Unlike traditional graph workloads where each vertex/edge is associated with a scalar, GNNs attach a feature tensor to…

Multi-fidelity Monte Carlo (MFMC) is a variance reduction method that leverages a multi-fidelity ensemble of models of varying cost and accuracy levels. Constructing an MFMC estimator with optimal variance requires knowledge of the…

Subgraph matching query is a fundamental problem in graph data management and has a variety of real-world applications. Several recent works utilize deep learning (DL) techniques to process subgraph matching queries. Most of them find…

Graph neural network (GNN)-based fault diagnosis (FD) has received increasing attention in recent years, due to the fact that data coming from several application domains can be advantageously represented as graphs. Indeed, this particular…

Despite the recent success of Graph Neural Networks, it remains challenging to train a GNN on large graphs with millions of nodes and billions of edges, which are prevalent in many graph-based applications. Traditional sampling-based…

Stability and reproducibility are essential considerations in various applications of statistical methods. False Discovery Rate (FDR) control methods are able to control false signals in scientific discoveries. However, many FDR control…