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In recent years, Graph Neural Networks (GNNs) have achieved remarkable success in many graph mining tasks. However, scaling them to large graphs is challenging due to the high computational and storage costs of repeated feature propagation…

Machine Learning · Computer Science 2025-04-11 Yuxuan Liang , Wentao Zhang , Zeang Sheng , Ling Yang , Quanqing Xu , Jiawei Jiang , Yunhai Tong , Bin Cui

Simulating physically plausible trajectories toward user-defined goals is a fundamental yet challenging task in fluid dynamics. While particle-based simulators can efficiently reproduce forward dynamics, inverse inference remains difficult,…

Machine Learning · Computer Science 2025-09-29 Mu Huang , Linning Xu , Mingyue Dai , Yidi Shao , Bo Dai

Nonlinear finite element crash simulations are accurate but computationally expensive, limiting their use in iterative design optimisation. Machine-learning surrogate models based on graph neural networks (GNNs) offer a faster alternative.…

Machine Learning · Computer Science 2026-05-18 Haoran Li , Tobias Lehrer , Yingxue Zhao , Haosu Zhou , Philipp Stocker , Tobias Pfaff , Nan Li

Complex mechanic systems simulation is important in many real-world applications. The de-facto numeric solver using Finite Element Method (FEM) suffers from computationally intensive overhead. Though with many progress on the reduction of…

Machine Learning · Computer Science 2024-09-04 Jiasheng Shi , Fu Lin , Weixiong Rao

Graph Neural Networks (GNNs) are widely applied to graph learning problems such as node classification. When scaling up the underlying graphs of GNNs to a larger size, we are forced to either train on the complete graph and keep the full…

Machine Learning · Computer Science 2024-06-25 Mucong Ding , Tahseen Rabbani , Bang An , Evan Z Wang , Furong Huang

The ability to learn polynomials and generalize out-of-distribution is essential for simulation metamodels in many disciplines of engineering, where the time step updates are described by polynomials. While feed forward neural networks can…

Machine Learning · Computer Science 2023-07-21 Jesper Hauch , Christoffer Riis , Francisco C. Pereira

This paper proposes Neural-MMGS, a novel neural 3DGS framework for multimodal large-scale scene reconstruction that fuses multiple sensing modalities in a per-gaussian compact, learnable embedding. While recent works focusing on large-scale…

Computer Vision and Pattern Recognition · Computer Science 2025-09-23 Sitian Shen , Georgi Pramatarov , Yifu Tao , Daniele De Martini

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…

Machine Learning · Computer Science 2026-02-16 Pingzhi Li , Hongxuan Li , Zirui Liu , Xingcheng Lin , Tianlong Chen

3D reconstruction and simulation, although interrelated, have distinct objectives: reconstruction requires a flexible 3D representation that can adapt to diverse scenes, while simulation needs a structured representation to model motion…

Computer Vision and Pattern Recognition · Computer Science 2024-11-25 Shaojie Ma , Yawei Luo , Wei Yang , Yi Yang

We propose a mask pretraining method for Graph Neural Networks (GNNs) to improve their performance on fitting potential energy surfaces, particularly in water systems. GNNs are pretrained by recovering spatial information related to…

Machine Learning · Computer Science 2024-06-21 Zehua Zhang , Zijie Li , Amir Barati Farimani

A graph neural network (GNN) approach is introduced in this work which enables mesh-based three-dimensional super-resolution of fluid flows. In this framework, the GNN is designed to operate not on the full mesh-based field at once, but on…

We propose a physics-informed machine learning framework called P-DivGNN to reconstruct local stress fields at the micro-scale, in the context of multi-scale simulation given a periodic micro-structure mesh and mean, macro-scale, stress…

Machine Learning · Computer Science 2025-07-09 Manuel Ricardo Guevara Garban , Yves Chemisky , Étienne Prulière , Michaël Clément

Current trends in the computer graphics community propose leveraging the massive parallel computational power of GPUs to accelerate physically based simulations. Collision detection and solving is a fundamental part of this process. It is…

Graphics · Computer Science 2021-10-06 Hugo Bertiche , Meysam Madadi , Sergio Escalera

When learning simulations for modeling physical phenomena in industrial designs, geometrical variabilities are of prime interest. While classical regression techniques prove effective for parameterized geometries, practical scenarios often…

Machine Learning · Computer Science 2023-10-24 Fabien Casenave , Brian Staber , Xavier Roynard

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…

Machine Learning · Computer Science 2022-05-23 Davide Buffelli , Fabio Vandin

Graph Neural Networks (GNN) is an emerging field for learning on non-Euclidean data. Recently, there has been increased interest in designing GNN that scales to large graphs. Most existing methods use "graph sampling" or "layer-wise…

Machine Learning · Computer Science 2021-09-03 Ming Chen , Zhewei Wei , Bolin Ding , Yaliang Li , Ye Yuan , Xiaoyong Du , Ji-Rong Wen

Agglomeration-based strategies are important both within adaptive refinement algorithms and to construct scalable multilevel algebraic solvers. In order to automatically perform agglomeration of polygonal grids, we propose the use of…

Numerical Analysis · Mathematics 2023-03-17 P. F. Antonietti , N. Farenga , E. Manuzzi , G. Martinelli , L. Saverio

Graph Neural Networks (GNNs) are widely used today in recommendation systems, fraud detection, and node/link classification tasks. Real world GNNs continue to scale in size and require a large memory footprint for storing graphs and…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-31 Jeongmin Brian Park , Kun Wu , Vikram Sharma Mailthody , Zaid Quresh , Scott Mahlke , Wen-mei Hwu

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…

Graphics · Computer Science 2024-02-08 Lin Gao , Jie Yang , Bo-Tao Zhang , Jia-Mu Sun , Yu-Jie Yuan , Hongbo Fu , Yu-Kun Lai

Recent developments in Machine Learning approaches for modelling physical systems have begun to mirror the past development of numerical methods in the computational sciences. In this survey, we begin by providing an example of this with…

Machine Learning · Computer Science 2023-04-04 Artur P. Toshev , Ludger Paehler , Andrea Panizza , Nikolaus A. Adams