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The behavior of complex systems is determined not only by the topological organization of their interconnections but also by the dynamical processes taking place among their constituents. A faithful modeling of the dynamics is essential…

物理与社会 · 物理学 2015-05-20 R. Lambiotte , R. Sinatra , J. -C. Delvenne , T. S. Evans , M. Barahona , V. Latora

Simulating rigid collisions among arbitrary shapes is notoriously difficult due to complex geometry and the strong non-linearity of the interactions. While graph neural network (GNN)-based models are effective at learning to simulate…

Mesh-based simulations are central to modeling complex physical systems in many disciplines across science and engineering. Mesh representations support powerful numerical integration methods and their resolution can be adapted to strike…

机器学习 · 计算机科学 2021-06-21 Tobias Pfaff , Meire Fortunato , Alvaro Sanchez-Gonzalez , Peter W. Battaglia

Simulating dynamic physical interactions is a critical challenge across multiple scientific domains, with applications ranging from robotics to material science. For mesh-based simulations, Graph Network Simulators (GNSs) pose an efficient…

机器学习 · 计算机科学 2023-11-10 Philipp Dahlinger , Niklas Freymuth , Michael Volpp , Tai Hoang , Gerhard Neumann

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…

机器学习 · 计算机科学 2018-11-07 Yao Ma , Ziyi Guo , Zhaochun Ren , Eric Zhao , Jiliang Tang , Dawei Yin

Graph Neural Networks (GNNs) have gained significant traction for simulating complex physical systems, with models like MeshGraphNet demonstrating strong performance on unstructured simulation meshes. However, these models face several…

机器学习 · 计算机科学 2024-12-23 Mohammad Amin Nabian , Chang Liu , Rishikesh Ranade , Sanjay Choudhry

The inherent properties of specific physical systems can be used as metaphors for investigation of the behavior of complex networks. This insight has already been put into practice in previous work, e.g., studying the network evolution in…

无序系统与神经网络 · 物理学 2014-08-15 Marco Alberto Javarone , Giuliano Armano

Dynamic networks are used in a wide range of fields, including social network analysis, recommender systems, and epidemiology. Representing complex networks as structures changing over time allow network models to leverage not only…

社会与信息网络 · 计算机科学 2021-06-15 Joakim Skarding , Bogdan Gabrys , Katarzyna Musial

The topological (or graph) structures of real-world networks are known to be predictive of multiple dynamic properties of the networks. Conventionally, a graph structure is represented using an adjacency matrix or a set of hand-crafted…

社会与信息网络 · 计算机科学 2016-10-21 Cheng Li , Xiaoxiao Guo , Qiaozhu Mei

Thermodynamics-informed neural networks employ inductive biases for the enforcement of the first and second principles of thermodynamics. To construct these biases, a metriplectic evolution of the system is assumed. This provides excellent…

机器学习 · 计算机科学 2025-01-22 Alicia Tierz , Iciar Alfaro , David González , Francisco Chinesta , Elías Cueto

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…

Physics-based simulation of mesh based domains remains a challenging task. State-of-the-art techniques can produce realistic results but require expert knowledge. A major bottleneck in many approaches is the step of integrating a potential…

图形学 · 计算机科学 2023-11-07 Oshri Halimi , Egor Larionov , Zohar Barzelay , Philipp Herholz , Tuur Stuyck

In this work, we propose an end-to-end graph network that learns forward and inverse models of particle-based physics using interpretable inductive biases. Physics-informed neural networks are often engineered to solve specific problems…

机器学习 · 计算机科学 2022-02-01 Sakthi Kumar Arul Prakash , Conrad Tucker

We introduce FENNIX (Force-Field-Enhanced Neural Network InteraXions), a hybrid approach between machine-learning and force-fields. We leverage state-of-the-art equivariant neural networks to predict local energy contributions and multiple…

化学物理 · 物理学 2024-07-23 Thomas Plé , Louis Lagardère , Jean-Philip Piquemal

The flow of cerebrospinal fluid through the perivascular spaces of the brain is believed to play a crucial role in eliminating toxic waste proteins. While the driving forces of this flow have been enigmatic, experiments have shown that…

偏微分方程分析 · 数学 2024-01-02 Ingeborg G. Gjerde , Miroslav Kuchta , Marie E. Rognes , Barbara Wohlmuth

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…

机器学习 · 计算机科学 2024-09-04 Jiasheng Shi , Fu Lin , Weixiong Rao

We propose a general modeling and inference framework that composes probabilistic graphical models with deep learning methods and combines their respective strengths. Our model family augments graphical structure in latent variables with…

Structural and topological information play a key role in modeling flow and transport through fractured rock in the subsurface. Discrete fracture network (DFN) computational suites such as dfnWorks are designed to simulate flow and…

Graph Neural Networks (GNNs) have achieved significant success across various applications. However, their complex structures and inner workings can be challenging for non-AI experts to understand. To address this issue, this study presents…

人机交互 · 计算机科学 2025-12-18 Yilin Lu , Chongwei Chen , Yuxin Chen , Kexin Huang , Marinka Zitnik , Qianwen Wang

Graph Neural Networks (GNNs) have recently been explored as surrogate models for numerical simulations. While their applications in computational fluid dynamics have been investigated, little attention has been given to structural problems,…

机器学习 · 计算机科学 2025-10-30 Alessandro Lucchetti , Francesco Cadini , Marco Giglio , Luca Lomazzi