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Molecular dynamics (MD) simulation is essential for various scientific domains but computationally expensive. Learning-based force fields have made significant progress in accelerating ab-initio MD simulation but are not fast enough for…

Machine Learning · Computer Science 2023-08-29 Xiang Fu , Tian Xie , Nathan J. Rebello , Bradley D. Olsen , Tommi Jaakkola

Forecasting future states of sensors is key to solving tasks like weather prediction, route planning, and many others when dealing with networks of sensors. But complete spatial coverage of sensors is generally unavailable and would…

Machine Learning · Computer Science 2022-11-22 Andreas Roth , Thomas Liebig

Simulating realistic sensors is a challenging part in data generation for autonomous systems, often involving carefully handcrafted sensor design, scene properties, and physics modeling. To alleviate this, we introduce a pipeline for…

In recent years, Graph Neural Network (GNN) based models have shown promising results in simulating physics of complex systems. However, training dedicated graph network based physics simulators can be costly, as most models are confined to…

Machine Learning · Computer Science 2025-02-12 Siqi Shen , Yu Liu , Daniel Biggs , Omar Hafez , Jiandong Yu , Wentao Zhang , Bin Cui , Jiulong Shan

In recent years, graph neural networks (GNNs) have shown tremendous promise in solving problems in high energy physics, materials science, and fluid dynamics. In this work, we introduce a new application for GNNs in the physical sciences:…

Instrumentation and Methods for Astrophysics · Physics 2026-02-17 Sidharth Kannan , Pooyan Goodarzi , Evangelos E. Papalexakis , Jonathan W. Richardson

Reliable evaluations of geotechnical hazards like landslides and debris flow require accurate simulation of granular flow dynamics. Traditional numerical methods can simulate the complex behaviors of such flows that involve solid-like to…

Geophysics · Physics 2023-11-14 Yongjin Choi , Krishna Kumar

We introduce Graph-Structured Sum-Product Networks (GraphSPNs), a probabilistic approach to structured prediction for problems where dependencies between latent variables are expressed in terms of arbitrary, dynamic graphs. While many…

Machine Learning · Computer Science 2017-11-23 Kaiyu Zheng , Andrzej Pronobis , Rajesh P. N. Rao

Simulating particle dynamics with high fidelity is crucial for solving real-world interaction and control tasks involving liquids in design, graphics, and robotics. Recently, data-driven approaches, particularly those based on graph neural…

Machine Learning · Computer Science 2025-12-01 Niteesh Midlagajni , Constantin A. Rothkopf

Pumped-storage hydropower plants (PSH) actively participate in grid power-frequency control and therefore often operate under dynamic conditions, which results in rapidly varying system states. Predicting these dynamically changing states…

Machine Learning · Computer Science 2024-08-22 Raffael Theiler , Olga Fink

Accurate electricity demand forecasting is essential for several reasons, especially as the integration of renewable energy sources and the transition to a decentralized network paradigm introduce greater complexity and uncertainty. The…

Machine Learning · Computer Science 2026-05-12 Eloi Campagne , Yvenn Amara-Ouali , Yannig Goude , Argyris Kalogeratos

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,…

Computational Physics · Physics 2025-02-20 Aref Hashemi , Aliakbar Izadkhah

Enabling autonomous operation of large-scale construction machines, such as excavators, can bring key benefits for human safety and operational opportunities for applications in dangerous and hazardous environments. To facilitate robot…

Robotics · Computer Science 2022-03-04 Julian Nubert , Shehryar Khattak , Marco Hutter

Current simulation of metal forging processes use advanced finite element methods. Such methods consist of solving mathematical equations, which takes a significant amount of time for the simulation to complete. Computational time can be…

Numerical Analysis · Mathematics 2023-03-20 Meduri Venkata Shivaditya , José Alves , Francesca Bugiotti , Frederic Magoules

Accurate long-horizon prediction of spatiotemporal fields on complex geometries is a fundamental challenge in scientific machine learning, with applications such as additive manufacturing where temperature histories govern defect formation…

Machine Learning · Computer Science 2026-02-23 Lionel Salesses , Larbi Arbaoui , Tariq Benamara , Arnaud Francois , Caroline Sainvitu

Following the advent of immersive technologies and the increasing interest in representing interactive geometrical format, 3D Point Clouds (PC) have emerged as a promising solution and effective means to display 3D visual information. In…

Computer Vision and Pattern Recognition · Computer Science 2022-11-07 Marouane Tliba , Aladine Chetouani , Giuseppe Valenzise , Frederic Dufaux

Ensemble forecasts from numerical weather prediction models show systematic errors that require correction via post-processing. While there has been substantial progress in flexible neural network-based post-processing methods over the past…

Machine Learning · Computer Science 2024-07-17 Moritz Feik , Sebastian Lerch , Jan Stühmer

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…

Computational Physics · Physics 2024-04-16 Jiamin Jiang , Bo Guo

Accurate and efficient physical simulations are essential in science and engineering, yet traditional numerical solvers face significant challenges in computational cost when handling simulations across dynamic scenarios involving complex…

Computational Engineering, Finance, and Science · Computer Science 2025-12-12 Pengwei Liu , Xingyu Ren , Pengkai Wang , Hangjie Yuan , Zhongkai Hao , Guanyu Chen , Chao Xu , Dong Ni , Shengze Cai

Graphs are essential representations of many real-world data such as social networks. Recent years have witnessed the increasing efforts made to extend the neural network models to graph-structured data. These methods, which are usually…

Machine Learning · Computer Science 2018-11-07 Yao Ma , Ziyi Guo , Zhaochun Ren , Eric Zhao , Jiliang Tang , Dawei Yin

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
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