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Numerical simulation of multi-phase fluid dynamics in porous media is critical for many energy and environmental applications in Earth's subsurface. Data-driven surrogate modeling provides computationally inexpensive alternatives to…

Due to the extensive availability of operation data, data-driven methods show strong capabilities in predicting building energy loads. Buildings with similar features often share energy patterns, reflected by spatial dependencies in their…

In the design of tensegrity structures, traditional form-finding methods utilize kinematic and static approaches to identify geometric configurations that achieve equilibrium. However, these methods often fall short when applied to actual…

Here we present a machine learning framework and model implementation that can learn to simulate a wide variety of challenging physical domains, involving fluids, rigid solids, and deformable materials interacting with one another. Our…

Prediction of taxi service demand and supply is essential for improving customer's experience and provider's profit. Recently, graph neural networks (GNNs) have been shown promising for this application. This approach models city regions as…

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…

Machine learning methods have a long history of applications in high energy physics (HEP). Recently, there is a growing interest in exploiting these methods to reconstruct particle signatures from raw detector data. In order to benefit from…

Subgraph pattern detection aims to uncover complex interaction structures in graphs. However, state-of-the-art graph neural network (GNN)-based solutions assume centralized access to the entire graph. When graphs are instead distributed…

Robotic grasping of 3D deformable objects is critical for real-world applications such as food handling and robotic surgery. Unlike rigid and articulated objects, 3D deformable objects have infinite degrees of freedom. Fully defining their…

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…

In domains with interdependent data, such as graphs, quantifying the epistemic uncertainty of a Graph Neural Network (GNN) is challenging as uncertainty can arise at different structural scales. Existing techniques neglect this issue or…

This study analyzes Graph Neural Networks (GNNs) for distribution system state estimation (DSSE) by employing an interpretable Graph Neural Additive Network (GNAN) and by utilizing an edge-conditioned message-passing mechanism. The…

Graph Neural Networks (GNNs) have deeply modified the landscape of numerical simulations by demonstrating strong capabilities in approximating solutions of physical systems. However, their ability to extrapolate beyond their training domain…

Mesh-based Graph Neural Networks (GNNs) have recently shown capabilities to simulate complex multiphysics problems with accelerated performance times. However, mesh-based GNNs require a large number of message-passing (MP) steps and suffer…

Graph neural networks (GNNs) have emerged as a promising solution to deal with unstructured data, outperforming traditional deep learning architectures. However, most of the current GNN models are designed to work with a single graph, which…

Graph Neural Networks (GNNs) extend the success of neural networks to graph-structured data by accounting for their intrinsic geometry. While extensive research has been done on developing GNN models with superior performance according to a…

Graph Neural Networks (GNNs) have shown satisfying performance in various graph analytical problems. Hence, they have become the \emph{de facto} solution in a variety of decision-making scenarios. However, GNNs could yield biased results…

Graph-based and sequential methods are two popular recommendation paradigms, each excelling in its domain but lacking the ability to leverage signals from the other. To address this, we propose a novel method that integrates both approaches…

Accurate prediction of physical properties is critical for discovering and designing novel materials. Machine learning technologies have attracted significant attention in the materials science community for their potential for large-scale…

With the great success of deep learning in various domains, graph neural networks (GNNs) also become a dominant approach to graph classification. By the help of a global readout operation that simply aggregates all node (or node-cluster)…