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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

Microstructure reconstruction, a major component of inverse computational materials engineering, is currently advancing at an unprecedented rate. While various training-based and training-free approaches are developed, the majority of…

Materials Science · Physics 2022-11-28 Christian Düreth , Paul Seibert , Dennis Rücker , Stephanie Handford , Markus Kästner , Maik Gude

In this paper, we introduce a denoising diffusion algorithm to discover microstructures with nonlinear fine-tuned properties. Denoising diffusion probabilistic models are generative models that use diffusion-based dynamics to gradually…

Machine Learning · Computer Science 2023-06-14 Nikolaos N. Vlassis , WaiChing Sun

Simulation-based approaches to microstructure generation can suffer from a variety of limitations, such as high memory usage, long computational times, and difficulties in generating complex geometries. Generative machine learning models…

Graphics · Computer Science 2025-03-10 Nathan Hoffman , Cashen Diniz , Dehao Liu , Theron Rodgers , Anh Tran , Mark Fuge

This paper puts forward an integrated microstructure design methodology that replaces the common existing design approaches: 1) reconstruction of microstructures, 2) analyzing and quantifying material properties, and 3) inverse design of…

Materials Science · Physics 2023-07-18 Kang-Hyun Lee , Hyoung Jun Lim , Gun Jin Yun

Stochastic microstructure reconstruction has become an indispensable part of computational materials science, but ongoing developments are specific to particular material systems. In this paper, we address this generality problem by…

Materials Science · Physics 2018-05-09 Xiaolin Li , Yichi Zhang , He Zhao , Craig Burkhart , L Catherine Brinson , Wei Chen

Integrated computational materials engineering (ICME) has significantly enhanced the systemic analysis of the relationship between microstructure and material properties, paving the way for the development of high-performance materials.…

Materials Science · Physics 2023-12-14 Kang-Hyun Lee , Gun Jin Yun

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

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

Generative models hold the promise of significantly expediting the materials design process when compared to traditional human-guided or rule-based methodologies. However, effectively generating high-quality periodic structures of materials…

Materials Science · Physics 2024-08-15 Anshuman Sinha , Shuyi Jia , Victor Fung

Denoising diffusion models (DDMs) have recently attracted increasing attention by showing impressive synthesis quality. DDMs are built on a diffusion process that pushes data to the noise distribution and the models learn to denoise. In…

Machine Learning · Computer Science 2023-05-16 Jaemoo Choi , Yesom Park , Myungjoo Kang

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

In materials science, microstructures and their associated extrinsic properties are critical for engineering advanced structural and functional materials, yet their robust reconstruction and generation remain significant challenges. In this…

Materials Science · Physics 2024-10-01 Yixuan Zhang , Teng Long , Hongbin Zhang

Acquiring reliable microstructure datasets is a pivotal step toward the systematic design of materials with the aid of integrated computational materials engineering (ICME) approaches. However, obtaining three-dimensional (3D)…

Materials Science · Physics 2023-09-26 Kang-Hyun Lee , Gun Jin Yun

Diffusion models have achieved remarkable progress in generative modelling, particularly in enhancing image quality to conform to human preferences. Recently, these models have also been applied to low-level computer vision for…

Computer Vision and Pattern Recognition · Computer Science 2025-10-09 Ziwei Luo , Fredrik K. Gustafsson , Zheng Zhao , Jens Sjölund , Thomas B. Schön

Magnetic Resonance Fingerprinting (MRF) is a time-efficient approach to quantitative MRI, enabling the mapping of multiple tissue properties from a single, accelerated scan. However, achieving accurate reconstructions remains challenging,…

Image and Video Processing · Electrical Eng. & Systems 2024-12-19 Perla Mayo , Carolin M. Pirkl , Alin Achim , Bjoern H. Menze , Mohammad Golbabaee

Deep generative models, particularly denoising diffusion models, have achieved remarkable success in high-fidelity generation of architected microstructures with desired properties and styles. Nevertheless, these recent methods typically…

Computational Engineering, Finance, and Science · Computer Science 2026-01-13 Weipeng Xu , Ziyuan Xie , Haoju Lin , Xinyu Wang , Guangjin Mou , Tianju Xue

Image denoising is a fundamental and challenging task in the field of computer vision. Most supervised denoising methods learn to reconstruct clean images from noisy inputs, which have intrinsic spectral bias and tend to produce…

Computer Vision and Pattern Recognition · Computer Science 2023-09-20 Yujin Wang , Lingen Li , Tianfan Xue , Jinwei Gu

Performing magnetic resonance imaging (MRI) reconstruction from under-sampled k-space data can accelerate the procedure to acquire MRI scans and reduce patients' discomfort. The reconstruction problem is usually formulated as a denoising…

Image and Video Processing · Electrical Eng. & Systems 2023-12-11 Tianqi Xiang , Wenjun Yue , Yiqun Lin , Jiewen Yang , Zhenkun Wang , Xiaomeng Li
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