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In material science, models are derived to predict emergent material properties (e.g. elasticity, strength, conductivity) and their relations to processing conditions. A major drawback is the calibration of model parameters that depend on…

Neural and Evolutionary Computing · Computer Science 2021-11-22 Gabriel Kronberger , Evgeniya Kabliman , Johannes Kronsteiner , Michael Kommenda

The mathematical formulation of constitutive models to describe the path-dependent, i.e., inelastic, behavior of materials is a challenging task and has been a focus in mechanics research for several decades. There have been increased…

Computational Engineering, Finance, and Science · Computer Science 2023-09-06 Max Rosenkranz , Karl A. Kalina , Jörg Brummund , Markus Kästner

Graph neural networks, trained on experimental or calculated data are becoming an increasingly important tool in computational materials science. Networks, once trained, are able to make highly accurate predictions at a fraction of the cost…

Materials Science · Physics 2024-06-19 Johannes Allotey , Keith T. Butler , Jeyan Thiyagalingam

When applying machine learning methods to learn viscoelastic constitutive relations, the polymer history dependence in viscoelastic fluids and the generalization ability of machine learning models are challenging. In this paper, guided by…

Fluid Dynamics · Physics 2025-06-30 Xuekai Dong , David Nieto Simavilla , Jie Ouyang , Xiaodong Wang , Marco Ellero

We propose a novel approach to model viscoelasticity materials using neural networks, which capture rate-dependent and nonlinear constitutive relations. However, inputs and outputs of the neural networks are not directly observable, and…

Numerical Analysis · Mathematics 2020-05-12 Kailai Xu , Alexandre M. Tartakovsky , Jeff Burghardt , Eric Darve

This paper is the first attempt to use geometric deep learning and Sobolev training to incorporate non-Euclidean microstructural data such that anisotropic hyperelastic material machine learning models can be trained in the finite…

Machine Learning · Computer Science 2020-10-12 Nikolaos Vlassis , Ran Ma , WaiChing Sun

Current methods of estimating the change in stress caused by injecting fluid into subsurface formations require choosing the type of constitutive model and the model parameters based on core, log, and geophysical data during the…

Geophysics · Physics 2021-09-28 Jeff Burghardt , Ting Bao , Kailai Xu , Alexandre Tartakovsky , Eric Darve

The major challenge in determining a hyperelastic model for a given material is the choice of invariants and the selection how the strain energy function depends functionally on these invariants. Here we introduce a new data-driven…

Soft Condensed Matter · Physics 2025-09-19 Denisa Martonová , Alain Goriely , Ellen Kuhl

Classically, the mechanical response of materials is described through constitutive models, often in the form of constrained ordinary differential equations. These models have a very limited number of parameters, yet, they are extremely…

Machine Learning · Computer Science 2022-09-27 Ehsan Haghighat , Sahar Abouali , Reza Vaziri

We introduce a generalized machine learning framework to probabilistically parameterize upper-scale models in the form of nonlinear PDEs consistent with a continuum theory, based on coarse-grained atomistic simulation data of mechanical…

Given (small amounts of) time-series' data from a high-dimensional, fine-grained, multiscale dynamical system, we propose a generative framework for learning an effective, lower-dimensional, coarse-grained dynamical model that is predictive…

Machine Learning · Statistics 2021-01-18 Sebastian Kaltenbach , Phaedon-Stelios Koutsourelakis

Data-driven material models have many advantages over classical numerical approaches, such as the direct utilization of experimental data and the possibility to improve performance of predictions when additional data is available. One…

Computational Engineering, Finance, and Science · Computer Science 2020-06-11 Dengpeng Huang , Jan Niklas Fuhg , Christian Weißenfels , Peter Wriggers

This work develops a unified framework for inferring, representing, and statistically characterizing an anisotropic strength surface directly from molecular dynamics data. Large-scale tensile loading simulations are used to generate failure…

Materials Science · Physics 2026-02-19 Alexander Bonacci , John Dolbow , Johann Guilleminot

Predictive models are a crucial component of many robotic systems. Yet, constructing accurate predictive models for a variety of deformable objects, especially those with unknown physical properties, remains a significant challenge. This…

Robotics · Computer Science 2024-07-11 Kaifeng Zhang , Baoyu Li , Kris Hauser , Yunzhu Li

This paper introduces a surrogate modeling scheme based on Grassmannian manifold learning to be used for cost-efficient predictions of high-dimensional stochastic systems. The method exploits subspace-structured features of each solution by…

Numerical Analysis · Mathematics 2020-08-26 Dimitris G. Giovanis , Michael D. Shields

Generative models such as denoising diffusion models are quickly advancing their ability to approximate highly complex data distributions. They are also increasingly leveraged in scientific machine learning, where samples from the implied…

Machine Learning · Computer Science 2025-03-14 Jan-Hendrik Bastek , WaiChing Sun , Dennis M. Kochmann

Data-driven machine learning models often require extensive datasets, which can be costly or inaccessible, and their predictions may fail to comply with established physical laws. Current approaches for incorporating physical priors…

Machine Learning · Computer Science 2025-11-19 Matilde Valente , Tiago C. Dias , Vasco Guerra , Rodrigo Ventura

We show that machine learning can improve the accuracy of simulations of stress waves in one-dimensional composite materials. We propose a data-driven technique to learn nonlocal constitutive laws for stress wave propagation models. The…

Machine Learning · Computer Science 2020-12-09 Huaiqian You , Yue Yu , Stewart Silling , Marta D'Elia

In the paper, we present an integrated data-driven modeling framework based on process modeling, material homogenization, mechanistic machine learning, and concurrent multiscale simulation. We are interested in the injection-molded short…

Computational Engineering, Finance, and Science · Computer Science 2020-03-24 Zeliang Liu , Haoyan Wei , Tianyu Huang , C. T. Wu

Many scientific and engineering processes produce spatially unstructured data. However, most data-driven models require a feature matrix that enforces both a set number and order of features for each sample. They thus cannot be easily…

Machine Learning · Computer Science 2021-09-30 Francis Ogoke , Kazem Meidani , Amirreza Hashemi , Amir Barati Farimani