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Accurate yet efficient surrogate models are essential for large-scale simulations of partial differential equations (PDEs), particularly for uncertainty quantification (UQ) tasks that demand hundreds or thousands of evaluations. We develop…

Modeling the full-range deformation behaviors of materials under complex loading and materials conditions is a significant challenge for constitutive relations (CRs) modeling. We propose a general encoder-decoder deep learning framework…

材料科学 · 物理学 2023-04-04 Qing-Jie Li , Mahmut Nedim Cinbiz , Yin Zhang , Qi He , Geoffrey Beausoleil , Ju Li

Herein, we present a new data-driven multiscale framework called FE${}^\text{ANN}$ which is based on two main keystones: the usage of physics-constrained artificial neural networks (ANNs) as macroscopic surrogate models and an autonomous…

计算工程、金融与科学 · 计算机科学 2023-09-06 Karl A. Kalina , Lennart Linden , Jörg Brummund , Markus Kästner

Soft, porous mechanical metamaterials exhibit pattern transformations that may have important applications in soft robotics, sound reduction and biomedicine. To design these innovative materials, it is important to be able to simulate them…

软凝聚态物质 · 物理学 2025-03-14 Fleur Hendriks , Vlado Menkovski , Martin Doškář , Marc G. D. Geers , Ondřej Rokoš

We propose a non-intrusive method to build surrogate models that approximate the solution of parameterized partial differential equations (PDEs), capable of taking into account the dependence of the solution on the shape of the…

数值分析 · 数学 2024-09-20 Linying Zhang , Stefano Pagani , Jun Zhang , Francesco Regazzoni

Molecular dynamics (MD) has served as a powerful tool for designing materials with reduced reliance on laboratory testing. However, the use of MD directly to treat the deformation and failure of materials at the mesoscale is still largely…

材料科学 · 物理学 2023-01-12 Huaiqian You , Xiao Xu , Yue Yu , Stewart Silling , Marta D'Elia , John Foster

Surrogate models provide compact relations between user-defined input parameters and output quantities of interest, enabling the efficient evaluation of complex parametric systems in many-query settings. Such capabilities are essential in a…

数值分析 · 数学 2026-03-16 Matteo Giacomini , Pedro Díez

Composite materials often exhibit mechanical anisotropy owing to the material properties or geometrical configurations of the microstructure. This makes their inverse design a two-fold problem. First, we must learn the type and orientation…

计算工程、金融与科学 · 计算机科学 2024-12-19 Asghar A. Jadoon , Karl A. Kalina , Manuel K. Rausch , Reese Jones , Jan N. Fuhg

This paper presents a framework for physics-informed learning in complex cyber-physical systems governed by differential equations with both unknown dynamics and algebraic invariants. First, we formalize the Hybrid Recurrent…

机器学习 · 计算机科学 2025-12-01 Enzo Nicolás Spotorno , Josafat Leal Filho , Antônio Augusto Fröhlich

When repeated evaluations for varying parameter configurations of a high-fidelity physical model are required, surrogate modeling techniques based on model order reduction are desired. In absence of the governing equations describing the…

机器学习 · 计算机科学 2023-06-13 Harshit Kapadia , Lihong Feng , Peter Benner

Recent advances in autoregressive neural surrogate models have enabled orders-of-magnitude speedups in simulating dynamical systems. However, autoregressive models are generally prone to distribution drift: compounding errors in…

机器学习 · 计算机科学 2026-03-19 Qi Liu , Laure Zanna , Joan Bruna

The theory-guided convolutional neural network (TgCNN) framework, which can incorporate discretized governing equation residuals into the training of convolutional neural networks (CNNs), is extended to two-phase porous media flow problems…

地球物理 · 物理学 2022-08-15 Nanzhe Wang , Haibin Chang , Dongxiao Zhang

A variety of modeling techniques have been developed in the past decade to reduce the computational expense and improve the accuracy of modeling. In this study, a new framework of modeling is suggested. Compared with other popular methods,…

机器学习 · 计算机科学 2018-09-06 Yu Li , Hu Wang , Kangjia Mo , Tao Zeng

Data-driven modeling approaches can produce fast surrogates to study large-scale physics problems. Among them, graph neural networks (GNNs) that operate on mesh-based data are desirable because they possess inductive biases that promote…

机器学习 · 计算机科学 2023-04-04 Brian R. Bartoldson , Yeping Hu , Amar Saini , Jose Cadena , Yucheng Fu , Jie Bao , Zhijie Xu , Brenda Ng , Phan Nguyen

This work presents a novel graph neural network (GNN) architecture, the Feature-specific Interpretable Graph Neural Network (FIGNN), designed to enhance the interpretability of deep learning surrogate models defined on unstructured grids in…

机器学习 · 计算机科学 2025-06-16 Riddhiman Raut , Romit Maulik , Shivam Barwey

We present a graph neural network (GNN) based surrogate framework for molecular dynamics simulations that directly predicts atomic displacements and learns the underlying evolution operator of an atomistic system. Unlike conventional…

材料科学 · 物理学 2025-12-29 Judah Immanuel , Avik Mahata , Aniruddha Maiti

The use of deep neural network (DNN) models as surrogates for linear and nonlinear structural dynamical systems is explored. The goal is to develop DNN based surrogates to predict structural response, i.e., displacements and accelerations,…

机器学习 · 计算机科学 2021-11-05 Nan Feng , Guodong Zhang , Kapil Khandelwal

We present a data-driven framework for the multiscale modeling of anisotropic finite strain elasticity based on physics-augmented neural networks (PANNs). Our approach allows the efficient simulation of materials with complex underlying…

计算工程、金融与科学 · 计算机科学 2024-10-07 Karl A. Kalina , Jörg Brummund , WaiChing Sun , Markus Kästner

Traditional approaches based on finite element analyses have been successfully used to predict the macro-scale behavior of heterogeneous materials (composites, multicomponent alloys, and polycrystals) widely used in industrial applications.…

材料科学 · 物理学 2022-11-24 Rajat Arora

Surrogate models are essential in structural analysis and optimization. We propose a heterogeneous graph representation of stiffened panels that accounts for geometrical variability, non-uniform boundary conditions, and diverse loading…

计算工程、金融与科学 · 计算机科学 2026-01-12 Yuecheng Cai , Jasmin Jelovica