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Graph Neural Networks (GNNs) have attracted increasing attention in recent years and have achieved excellent performance in semi-supervised node classification tasks. The success of most GNNs relies on one fundamental assumption, i.e., the…

A variety of modeling techniques have been developed in the past decade to reduce the computational expense and improve the accuracy of modeling. In this study, a new framework of modeling is suggested. Compared with other popular methods,…

Equivariant graph neural networks force fields (EGraFFs) have shown great promise in modelling complex interactions in atomic systems by exploiting the graphs' inherent symmetries. Recent works have led to a surge in the development of…

Soft materials such as rubbers, hydrogels, and biological tissues undergo damage in the form of stiffness degradation without apparent changes in their stress-free geometry. Accurate simulation of this behavior is critical in applications…

In the recent years, the domain of fast flow field prediction has been vastly dominated by pixel-based convolutional neural networks. Yet, the recent advent of graph convolutional neural networks (GCNNs) have attracted a considerable…

Graph neural networks (GNNs) have recently emerged as a dominant paradigm for machine learning with graphs. Research on GNNs has mainly focused on the family of message passing neural networks (MPNNs). Similar to the Weisfeiler-Leman (WL)…

Graph neural network simulators (GNS) have emerged as a computationally efficient tool for simulating granular flows. Previous efforts have been limited to simplified homogeneous geometries characterized only by the friction angle, which…

Percutaneous needle insertions are commonly performed for diagnostic and therapeutic purposes as an effective alternative to more invasive surgical procedures. However, the outcome of needle-based approaches relies heavily on the accuracy…

By conceiving physical systems as 3D many-body point clouds, geometric graph neural networks (GNNs), such as SE(3)/E(3) equivalent GNNs, have showcased promising performance. In particular, their effective message-passing mechanics make…

Numerical simulators are essential tools in the study of natural fluid-systems, but their performance often limits application in practice. Recent machine-learning approaches have demonstrated their ability to accelerate spatio-temporal…

Cantilevered elastic foils can undergo self-induced, large-amplitude flapping when subject to fluid flow, a widely observed phenomenon of fluid-structure interaction, from fluttering leaves or the movement of fish fins. When harnessed in…

DeepWarp is an efficient and highly re-usable deep neural network (DNN) based nonlinear deformable simulation framework. Unlike other deep learning applications such as image recognition, where different inputs have a uniform and consistent…

Focused ultrasound (FUS) therapy is a promising tool for optimally targeted treatment of spinal cord injuries (SCI), offering submillimeter precision to enhance blood flow at injury sites while minimizing impact on surrounding tissues.…

Simulating dynamic physical interactions is a critical challenge across multiple scientific domains, with applications ranging from robotics to material science. For mesh-based simulations, Graph Network Simulators (GNSs) pose an efficient…

It is desirable for statistical models to detect signals of interest independently of their position. If the data is generated by some smooth process, this additional structure should be taken into account. We introduce a new class of…

Recent advances in digital avatar technology have enabled the generation of compelling virtual characters, but deploying these avatars on compute-constrained devices poses significant challenges for achieving realistic garment deformations.…

We address the efficiency issue for the construction of a deep graph neural network (GNN). The approach exploits the idea of representing each input graph as a fixed point of a dynamical system (implemented through a recurrent neural…

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…

This study presents a deep learning approach to predicting structural and electronic properties of materials using Graph Neural Networks (GNNs). Leveraging data from the Materials Project database, we construct graph representations of…

Although Finite Element Analysis (FEA) is an integral part of the product design lifecycle, the analysis is computationally expensive, making it unsuitable for many design optimization problems. The deep learning models can be a great…