Related papers: SURF: A Generalization Benchmark for GNNs Predicti…

Existing deep learning-based surrogate models facilitate efficient data generation, but fall short in uncertainty quantification, efficient parameter space exploration, and reverse prediction. In our work, we introduce SurroFlow, a novel…

Normalizing Flows (NFs) are emerging as a powerful class of generative models, as they not only allow for efficient sampling, but also deliver, by construction, density estimation. They are of great potential usage in High Energy Physics…

Finding the distribution of the velocities and pressures of a fluid by solving the Navier-Stokes equations is a principal task in the chemical, energy, and pharmaceutical industries, as well as in mechanical engineering and the design of…

Graph neural networks (GNNs) are among the most powerful tools in deep learning. They routinely solve complex problems on unstructured networks, such as node classification, graph classification, or link prediction, with high accuracy.…

Learning physical simulations has been an essential and central aspect of many recent research efforts in machine learning, particularly for Navier-Stokes-based fluid mechanics. Classic numerical solvers have traditionally been…

Graph convolutional networks (GCNs) have recently achieved great empirical success in learning graph-structured data. To address its scalability issue due to the recursive embedding of neighboring features, graph topology sampling has been…

Graph Neural Networks (GNNs) have been extensively used in various real-world applications. However, the predictive uncertainty of GNNs stemming from diverse sources such as inherent randomness in data and model training errors can lead to…

The volume of fluid (VoF) method is widely used in multi-phase flow simulations to track and locate the interface between two immiscible fluids. A major bottleneck of the VoF method is the interface reconstruction step due to its high…

Mechanics-related problems often present unique challenges in achieving accurate geometric and physical representations, particularly for non-uniform structures. Graph neural networks (GNNs) have emerged as a promising tool to tackle these…

Graph neural networks (GNNs) have demonstrated significant promise in modelling relational data and have been widely applied in various fields of interest. The key mechanism behind GNNs is the so-called message passing where information is…

Neural simulators promise efficient surrogates for physics simulation, but scaling them is bottlenecked by the prohibitive cost of generating high-fidelity training data. Pre-training on abundant off-the-shelf geometries offers a natural…

Large-scale graphs are valuable for graph representation learning, yet the abundant data in these graphs hinders the efficiency of the training process. Graph condensation (GC) alleviates this issue by compressing the large graph into a…

To handle graphs in which features or connectivities are evolving over time, a series of temporal graph neural networks (TGNNs) have been proposed. Despite the success of these TGNNs, the previous TGNN evaluations reveal several limitations…

Irregularly sampled multivariate event streams remain a stubbornly difficult modality for generative modeling: tokenization-based approaches break down when inter-event intervals vary by orders of magnitude, and neural temporal point…

The simulation of microcirculatory blood flow in realistic vascular architectures poses significant challenges due to the multiscale nature of the problem and the topological complexity of capillary networks. In this work, we propose a…

Physics-based models have been mainstream in fluid dynamics for developing predictive models. In recent years, machine learning has offered a renaissance to the fluid community due to the rapid developments in data science, processing…

Geometric graphs are a special kind of graph with geometric features, which are vital to model many scientific problems. Unlike generic graphs, geometric graphs often exhibit physical symmetries of translations, rotations, and reflections,…

A machine-learning strategy for investigating the stability of fluid flow problems is proposed herein. The goal is to provide a simple yet robust methodology to find a nonlinear mapping from the parametric space to an indicator representing…

We present a Graph Neural Network (GNN) that accurately simulates a multidisperse suspension of interacting spherical particles. Our machine learning framework is built upon the recent work of Sanchez-Gonzalez et al. ICML, PMLR, 119,…

Graph neural networks (GNNs) demonstrate outstanding performance in a broad range of applications. While the majority of GNN applications assume that a graph structure is given, some recent methods substantially expanded the applicability…