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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

In recent years, pre-trained graph neural networks (GNNs) have been developed as general models which can be effectively fine-tuned for various potential downstream tasks in materials science, and have shown significant improvements in…

Materials Science · Physics 2025-03-04 Shuyi Jia , Shitij Govil , Manav Ramprasad , Victor Fung

Graph Neural Networks (GNNs) often struggle with heterophilic data, where connected nodes may have dissimilar labels, as they typically assume homophily and rely on local message passing. To address this, we propose creating alternative…

Machine Learning · Computer Science 2025-06-11 Victor M. Tenorio , Madeline Navarro , Samuel Rey , Santiago Segarra , Antonio G. Marques

Graph neural networks (GNNs) are designed to extract latent patterns from graph-structured data, making them particularly well suited for crystal representation learning. Here, we propose a GNN model tailored for estimating electronic…

Materials Science · Physics 2026-04-07 Yuxuan Zeng , Wei Cao , Yijing Zuo , Fang Lyu , Wenhao Xie , Tan Peng , Yue Hou , Ling Miao , Ziyu Wang , Jing Shi

This paper introduces Graph Convolutional Recurrent Network (GCRN), a deep learning model able to predict structured sequences of data. Precisely, GCRN is a generalization of classical recurrent neural networks (RNN) to data structured by…

Machine Learning · Statistics 2016-12-23 Youngjoo Seo , Michaël Defferrard , Pierre Vandergheynst , Xavier Bresson

Dynamic response evaluation in structural engineering is the process of determining the response of a structure, such as member forces, node displacements, etc when subjected to dynamic loads such as earthquakes, wind, or impact. This is an…

Machine Learning · Computer Science 2023-08-21 Faisal Nissar Malik , James Ricles , Masoud Yari , Malik Arsala Nissar

Learning to reason about relations and dynamics over multiple interacting objects is a challenging topic in machine learning. The challenges mainly stem from that the interacting systems are exponentially-compositional, symmetrical, and…

Machine Learning · Computer Science 2022-03-15 Wenbing Huang , Jiaqi Han , Yu Rong , Tingyang Xu , Fuchun Sun , Junzhou Huang

Entity interaction prediction is essential in many important applications such as chemistry, biology, material science, and medical science. The problem becomes quite challenging when each entity is represented by a complex structure,…

Machine Learning · Computer Science 2021-04-13 Hanchen Wang , Defu Lian , Ying Zhang , Lu Qin , Xuemin Lin

In the rapidly evolving field of Heterogeneous Multi-access Edge Computing (HMEC), efficient task offloading plays a pivotal role in optimizing system throughput and resource utilization. However, existing task offloading methods often fall…

Networking and Internet Architecture · Computer Science 2024-05-31 Mulei Ma

Graph Neural Networks (GNNs) often struggle in preserving high-frequency components of nodal signals when dealing with directed graphs. Such components are crucial for modeling flow dynamics, without which a traditional GNN tends to treat a…

Machine Learning · Computer Science 2025-06-09 Haoyang Jiang , Jindong Wang , Xingquan Zhu , Yi He

Graph Neural Networks (GNNs) have excelled in predicting graph properties in various applications ranging from identifying trends in social networks to drug discovery and malware detection. With the abundance of new architectures and…

Machine Learning · Computer Science 2024-06-06 Roya Aliakbarisani , Robert Jankowski , M. Ángeles Serrano , Marián Boguñá

Seismic intensity prediction from early or initial seismic waves received by a few seismic stations can enhance Earthquake Early Warning (EEW) systems, particularly in ground motion-based approaches like PLUM. While many operational EEW…

Signal Processing · Electrical Eng. & Systems 2024-04-01 Rafid Umayer Murshed , Kazi Noshin , Md. Anu Zakaria , Md. Forkan Uddin , A. F. M. Saiful Amin , Mohammed Eunus Ali

Seismic events, among many other natural hazards, reduce due functionality and exacerbate vulnerability of in-service buildings. Accurate modeling and prediction of building's response subjected to earthquakes makes possible to evaluate…

Signal Processing · Electrical Eng. & Systems 2019-09-19 Ruiyang Zhang , Yang Liu , Hao Sun

We apply a temporal edge prediction model for weighted dynamic graphs to predict time-dependent changes in molecular structure. Each molecule is represented as a complete graph in which each atom is a vertex and all vertex pairs are…

Machine Learning · Computer Science 2021-06-28 Michael Hunter Ashby , Jenna A. Bilbrey

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

Machine Learning · Computer Science 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

Network modeling is a critical component for building self-driving Software-Defined Networks, particularly to find optimal routing schemes that meet the goals set by administrators. However, existing modeling techniques do not meet the…

Networking and Internet Architecture · Computer Science 2021-06-15 Krzysztof Rusek , José Suárez-Varela , Albert Mestres , Pere Barlet-Ros , Albert Cabellos-Aparicio

Buoyancy-driven heat transfer in closed cavities serves as a canonical testbed for thermal design High-fidelity CFD modelling yields accurate thermal field solutions, yet its reliance on expert-crafted physics models, fine meshes, and…

Computer Vision and Pattern Recognition · Computer Science 2025-09-09 Mohammad Ahangarkiasari , Hassan Pouraria

Metal forging is used to manufacture dies. We require the best set of input parameters for the process to be efficient. Currently, we predict the best parameters using the finite element method by generating simulations for the different…

Machine Learning · Computer Science 2023-10-24 Shwetha Salimath , Francesca Bugiotti , Frederic Magoules

High-fidelity nonlinear finite-element (FE) simulations of reinforced-concrete (RC) structures are still costly, especially in parametric settings where loading positions vary. We develop a dual-graph spatiotemporal GNN surrogate to…

Machine Learning · Computer Science 2026-03-10 Zhaoyang Ren , Qilin Li

Graph Drawing techniques have been developed in the last few years with the purpose of producing aesthetically pleasing node-link layouts. Recently, the employment of differentiable loss functions has paved the road to the massive usage of…

Machine Learning · Computer Science 2022-07-04 Matteo Tiezzi , Gabriele Ciravegna , Marco Gori
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