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Stochastic microstructure reconstruction involves digital generation of microstructures that match key statistics and characteristics of a (set of) target microstructure(s). This process enables computational analyses on ensembles of…

Materials Science · Physics 2023-01-02 Anindya Bhaduri , Ashwini Gupta , Audrey Olivier , Lori Graham-Brady

Microstructure reconstruction and compression techniques are designed to find a microstructure with desired properties. While the microstructure reconstruction searches for a microstructure with prescribed statistical properties, the…

Materials Science · Physics 2016-01-19 Jan Havelka , Anna Kučerová , Jan Sýkora

Microstructure of materials is often characterized through image analysis to understand processing-structure-properties linkages. We propose a largely automated framework that integrates unsupervised and supervised learning methods to…

Applications · Statistics 2025-09-05 Kungang Zhang , Wei Chen , Wing K. Liu , L. Catherine Brinson , Daniel W. Apley

In recent years, there has been a growing interest in accelerated materials innovation in the context of the process-structure-property chain. In this regard, it is essential to take into account manufacturing processes and tailor materials…

Materials Science · Physics 2024-11-12 Lukas Morand , Tarek Iraki , Johannes Dornheim , Stefan Sandfeld , Norbert Link , Dirk Helm

Statistical inference from high-dimensional data with low-dimensional structures has recently attracted lots of attention. In machine learning, deep generative modeling approaches implicitly estimate distributions of complex objects by…

Statistics Theory · Mathematics 2022-02-21 Rong Tang , Yun Yang

While the forward and backward modeling of the process-structure-property chain has received a lot of attention from the materials community, fewer efforts have taken into consideration uncertainties. Those arise from a multitude of sources…

Machine Learning · Statistics 2021-08-06 Maximilian Rixner , Phaedon-Stelios Koutsourelakis

Microstructure reconstruction is an important and emerging aspect of computational materials engineering and multiscale modeling and simulation. Despite extensive research and fast progress in the field, the application of descriptor-based…

Materials Science · Physics 2023-06-16 Paul Seibert , Markus Husert , Maximilian P. Wollner , Karl A. Kalina , Markus Kästner

Microstructure reconstruction is an important cornerstone to the inverse materials design concept. In this work, a general algorithm is developed to reconstruct a three-dimensional microstructure from given descriptors. Based on…

Materials Science · Physics 2021-10-26 Paul Seibert , Alexander Raßloff , Marreddy Ambati , Markus Kästner

Quantifying the relationship between geometric descriptors of microstructure and effective properties like permeability is essential for understanding and improving the behavior of porous materials. In this paper, we employ a previously…

Materials Science · Physics 2023-11-27 Matthias Weber , Andreas Grießer , Dennis Mosbach , Erik Glatt , Andreas Wiegmann , Volker Schmidt

Microstructure reconstruction is a key enabler of process-structure-property linkages, a central topic in materials engineering. Revisiting classical optimization-based reconstruction techniques,they are recognized as a powerful framework…

Materials Science · Physics 2021-03-19 Paul Seibert , Marreddy Ambati , Alexander Raßloff , Markus Kästner

To leverage advancements in machine learning for metallic materials design and property prediction, it is crucial to develop a data-reduced representation of metal microstructures that surpasses the limitations of current physics-based…

Determining a process-structure-property relationship is the holy grail of materials science, where both computational prediction in the forward direction and materials design in the inverse direction are essential. Problems in materials…

Computational Engineering, Finance, and Science · Computer Science 2020-04-28 Anh Tran , John A. Mitchell , Laura P. Swiler , Tim Wildey

The optimization along the chain processing-structure-properties-performance is one of the core objectives in data-driven materials science. In this sense, processes are supposed to manufacture workpieces with targeted material…

Materials Science · Physics 2022-03-24 Tarek Iraki , Lukas Morand , Johannes Dornheim , Norbert Link , Dirk Helm

We report a multiscale approach of broad applicability to stochastic reconstruction of multiphase materials, including porous ones. The approach devised uses an optimization method, such as the simulated annealing (SA) and the so-called…

Materials Science · Physics 2018-11-13 R. Piasecki , W. Olchawa , D. Frączek , R. Wiśniowski

Computational experiments are exploited in finding a well-designed processing path to optimize material structures for desired properties. This requires understanding the interplay between the processing-(micro)structure-property linkages…

Computational Engineering, Finance, and Science · Computer Science 2023-05-04 Junrong Lin , Mahmudul Hasan , Pinar Acar , Jose Blanchet , Vahid Tarokh

Algorithms proposed for solving high-dimensional optimization problems with no derivative information frequently encounter the "curse of dimensionality," becoming ineffective as the dimension of the parameter space grows. One feature of a…

Optimization and Control · Mathematics 2020-04-28 Dmitry Pozharskiy , Noah J. Wichrowski , Andrew B. Duncan , Grigorios A. Pavliotis , Ioannis G. Kevrekidis

The identification and classification of transitions in topological and microstructural regimes in pattern-forming processes are critical for understanding and fabricating microstructurally precise novel materials in many application…

Materials Science · Physics 2022-08-12 Marcin Abram , Keith Burghardt , Greg Ver Steeg , Aram Galstyan , Remi Dingreville

This paper introduces a new probabilistic framework for supervised learning in neural systems. It is designed to model complex, uncertain systems whose random outputs are strongly non-Gaussian given deterministic inputs. The architecture…

Machine Learning · Statistics 2025-12-12 Christian Soize

Microstructure reconstruction serves as a crucial foundation for establishing Process-Structure-Property (PSP) relationship in material design. Confronting the limitations of variational autoencoder and generative adversarial network within…

Computational Engineering, Finance, and Science · Computer Science 2023-11-30 Xianrui Lyu , Xiaodan Ren

Stochastic processes have found numerous applications in science, as they are broadly used to model a variety of natural phenomena. Due to their intrinsic randomness and uncertainty, they are, however, difficult to characterize. Here, we…

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