Data-Driven Microstructure Property Relations
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Abstract (arXiv)
An image based prediction of the effective heat conductivity for highly heterogeneous microstructured materials is presented. The synthetic materials under consideration show different inclusion morphology, orientation, volume fraction and topology. The prediction of the effective property is made exclusively based on image data with the main emphasis being put on the 2-point spatial correlation function. This task is implemented using both unsupervised and supervised machine learning methods. First, a snapshot proper orthogonal decomposition (POD) is used to analyze big sets of random microstructures and thereafter compress significant characteristics of the microstructure into a low-dimensional feature vector. In order to manage the related amount of data and computations, three different incremental snapshot POD methods are proposed. In the second step, the obtained feature vector is used to predict the effective material property by using feed forward neural networks. Numerical examples regarding the incremental basis identification and the prediction accuracy of the approach are presented. A Python code illustrating the application of the surrogate is freely available.
Key facts. Cited by 5 papers in the map (data through 14 Oct 2026). First posted on arXiv 26 Mar 2019.
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Citing papers per year: 2023: 2; 2024: 0; 2025: 3.
5 papers.
- 2023Efficient Surrogate Models for Materials Science Simulations: Machine Learning-based Prediction of Microstructure Propertiescited by 6
- 2025Spectral Normalization and Voigt-Reuss net: A universal approach to microstructure-property forecasting with physical guaranteescited by 1
- 2025Accelerating Conjugate Gradient Solvers for Homogenization Problems with Unitary Neural Operatorscited by 1
- 2023Hybrid machine-learned homogenization: Bayesian data mining and convolutional neural networkscited by 0
- 2025Robust inverse material design with physical guarantees using the Voigt-Reuss Netcited by 0
- 2025Robust inverse material design with physical guarantees using the Voigt-Reuss Net14 Nov 2025
- 2025Accelerating Conjugate Gradient Solvers for Homogenization Problems with Unitary Neural Operators18 Jul 2025
- 2025Spectral Normalization and Voigt-Reuss net: A universal approach to microstructure-property forecasting with physical guarantees1 Apr 2025
- 2023Efficient Surrogate Models for Materials Science Simulations: Machine Learning-based Prediction of Microstructure Properties1 Sep 2023
- 2023Hybrid machine-learned homogenization: Bayesian data mining and convolutional neural networks24 Feb 2023