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Graph neural network (GNN) potentials such as SchNet improve the accuracy and transferability of molecular dynamics (MD) simulation by learning many-body interactions, but remain slower than classical force fields due to fragmented kernels…

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…

Simulating the long-timescale dynamics of biomolecules is a central challenge in computational science. While enhanced sampling methods can accelerate these simulations, they rely on pre-defined collective variables that are often difficult…

Sheaf Neural Networks (SNNs) naturally extend Graph Neural Networks (GNNs) by endowing a cellular sheaf over the graph, equipping nodes and edges with vector spaces and defining linear mappings between them. While the attached geometric…

Neural implicit representations, including Neural Distance Fields and Neural Radiance Fields, have demonstrated significant capabilities for reconstructing surfaces with complicated geometry and topology, and generating novel views of a…

Numerical modeling of polycrystal plasticity is computationally intensive. We employ Graph Neural Networks (GNN) to predict stresses on complex geometries for polycrystal plasticity from Finite Element Method (FEM) simulations. We present a…

Graph Neural Networks (GNNs) are powerful tools for learning representations on graphs, such as social networks. However, their vulnerability to privacy inference attacks restricts their practicality, especially in high-stake domains. To…

Parametric message passing (MP) is a promising technique that provides reliable marginal probability distributions for distributed cooperative positioning (DCP) based on factor graphs (FG), while maintaining minimal computational…

Graph Neural Networks (GNNs) have become the state-of-the-art method for many applications on graph structured data. GNNs are a model for graph representation learning, which aims at learning to generate low dimensional node embeddings that…

This paper considers a low-complexity Gaussian Message Passing (GMP) scheme for a coded massive Multiple-Input Multiple-Output (MIMO) systems with Non-Orthogonal Multiple Access (massive MIMO-NOMA), in which a base station with $N_s$…

Deployment of deep learning models in robotics as sensory information extractors can be a daunting task to handle, even using generic GPU cards. Here, we address three of its most prominent hurdles, namely, i) the adaptation of a single…

Computer representations of three-dimensional (3D) geometries are crucial for simulating systems and processes in engineering and science. In medicine, and more specifically, biomechanics and orthopaedics, obtaining and using 3D geometries…

Capturing semantic consistency among nodes is crucial for effective graph representation learning. Existing approaches typically rely on $k$-nearest neighbors ($k$NN) or other node-level full search algorithms (FSA) to mine semantic…

The effectiveness of convolutional neural networks in medical image segmentation relies on large-scale, high-quality annotations, which are costly and time-consuming to obtain. Even expert-labeled datasets inevitably contain noise arising…

Graph Neural Networks (GNNs) have recently been applied to graph learning tasks and achieved state-of-the-art (SOTA) results. However, many competitive methods run GNNs multiple times with subgraph extraction and customized labeling to…

3D meshes are fundamental data representations for capturing complex geometric shapes in computer vision and graphics applications. While Convolutional Neural Networks (CNNs) have excelled in structured data like images, extending them to…

Distributed training of GNNs enables learning on massive graphs (e.g., social and e-commerce networks) that exceed the storage and computational capacity of a single machine. To reach performance comparable to centralized training,…

Physics-based deep learning frameworks have shown to be effective in accurately modeling the dynamics of complex physical systems with generalization capability across problem inputs. Data-driven networks like GNN, Neural Operators have…

Graph Neural Networks (GNNs) offer a compact and computationally efficient way to learn embeddings and classifications on graph data. GNN models are frequently large, making distributed minibatch training necessary. The primary contribution…

Achieving efficient, high-fidelity, high-resolution garment simulation is challenging due to its computational demands. Conversely, low-resolution garment simulation is more accessible and ideal for low-budget devices like smartphones. In…