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Learning dynamical systems that respect physical symmetries and constraints remains a fundamental challenge in data-driven modeling. Integrating physical laws with graph neural networks facilitates principled modeling of complex N-body…

Machine Learning · Computer Science 2026-04-16 Atamert Rahma , Chinmay Datar , Ana Cukarska , Felix Dietrich

This article explores the integration of deep learning models into combinatorial optimization pipelines, specifically targeting NP-hard problems. Traditional exact algorithms for such problems often rely on heuristic criteria to guide the…

Machine Learning · Computer Science 2026-04-28 Lorenzo Sciandra , Roberto Esposito , Andrea Cesare Grosso , Laura Sacerdote , Cristina Zucca

Successful material selection is critical in designing and manufacturing products for design automation. Designers leverage their knowledge and experience to create high-quality designs by selecting the most appropriate materials through…

This work introduces a new approach for accelerating the numerical analysis of time-domain partial differential equations (PDEs) governing complex physical systems. The methodology is based on a combination of a classical reduced-order…

Machine Learning · Computer Science 2024-06-06 Victor Matray , Faisal Amlani , Frédéric Feyel , David Néron

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

We explore the use of graph neural networks (GNNs) to model spatial processes in which there is no a priori graphical structure. Similar to finite element analysis, we assign nodes of a GNN to spatial locations and use a computational…

Machine Learning · Computer Science 2019-11-19 Ferran Alet , Adarsh K. Jeewajee , Maria Bauza , Alberto Rodriguez , Tomas Lozano-Perez , Leslie Pack Kaelbling

Machine learning (ML) and deep learning (DL) techniques have gained significant attention as reduced order models (ROMs) to computationally expensive structural analysis methods, such as finite element analysis (FEA). Graph neural network…

Machine Learning · Computer Science 2023-09-25 Yuecheng Cai , Jasmin Jelovica

Logistics optimization nowadays is becoming one of the hottest areas in the AI community. In the past year, significant advancements in the domain were achieved by representing the problem in a form of graph. Another promising area of…

Machine Learning · Computer Science 2022-05-26 Zangir Iklassov , Dmitrii Medvedev

In recent years, Graph Neural Networks (GNNs) have been utilized for various applications ranging from drug discovery to network design and social networks. In many applications, it is impossible to observe some properties of the graph…

Machine Learning · Computer Science 2025-03-12 Moshe Eliasof , Md Shahriar Rahim Siddiqui , Carola-Bibiane Schönlieb , Eldad Haber

Many physical systems can be best understood as sets of discrete data with associated relationships. Where previously these sets of data have been formulated as series or image data to match the available machine learning architectures,…

Machine Learning surrogates for Computational Fluid Dynamics (CFD), particularly Graph Neural Networks (GNNs) and Transformers, have become a new important approach for accelerating physics simulations. However, we identify a critical…

Machine Learning · Computer Science 2026-05-05 Paul Garnier , Vincent Lannelongue , Elie Hachem

Many scientific datasets are of high dimension, and the analysis usually requires visual manipulation by retaining the most important structures of data. Principal curve is a widely used approach for this purpose. However, many existing…

Artificial Intelligence · Computer Science 2016-01-19 Qi Mao , Li Wang , Ivor W. Tsang , Yijun Sun

Physical simulations that accurately model reality are crucial for many engineering disciplines such as mechanical engineering and robotic motion planning. In recent years, learned Graph Network Simulators produced accurate mesh-based…

Machine Learning · Computer Science 2023-03-08 Jonas Linkerhägner , Niklas Freymuth , Paul Maria Scheikl , Franziska Mathis-Ullrich , Gerhard Neumann

To date, the simulation of organ deformations for applications like therapy planning or image-guided interventions is calculated by solving the elastodynamics equations. While efficient solvers have been proposed for fast simulations,…

Quantitative Methods · Quantitative Biology 2018-12-18 Felix Meister , Tiziano Passerini , Viorel Mihalef , Ahmet Tuysuzoglu , Andreas Maier , Tommaso Mansi

This paper presents a method to simulate the thermal behavior of 3D systems using a graph neural network. The method discussed achieves a significant speed-up with respect to a traditional finite-element simulation. The graph neural network…

Computational Engineering, Finance, and Science · Computer Science 2022-09-29 Helios Sanchis-Alepuz , Monika Stipsitz

Physics-informed deep learning often faces optimization challenges due to the complexity of solving partial differential equations (PDEs), which involve exploring large solution spaces, require numerous iterations, and can lead to unstable…

Graph representation learning methods generate numerical vector representations for the nodes in a network, thereby enabling their use in standard machine learning models. These methods aim to preserve relational information, such that…

Machine Learning · Computer Science 2021-11-10 Janet Layne , Edoardo Serra

Learning representations for graphs plays a critical role in a wide spectrum of downstream applications. In this paper, we summarize the limitations of the prior works in three folds: representation space, modeling dynamics and modeling…

Machine Learning · Computer Science 2021-04-07 Li Sun , Zhongbao Zhang , Jiawei Zhang , Feiyang Wang , Hao Peng , Sen Su , Philip S. Yu

In recent years, Dynamic Graph (DG) representations have been increasingly used for modeling dynamic systems due to their ability to integrate both topological and temporal information in a compact representation. Dynamic graphs allow to…

Machine Learning · Computer Science 2023-04-13 Leshanshui Yang , Sébastien Adam , Clément Chatelain

The great success of Physics-Informed Neural Networks (PINN) in solving partial differential equations (PDEs) has significantly advanced our simulation and understanding of complex physical systems in science and engineering. However, many…

Numerical Analysis · Mathematics 2024-09-10 Hao Zhang , Longxiang Jiang , Xinkun Chu , Yong Wen , Luxiong Li , Yonghao Xiao , Liyuan Wang
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