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Integrated Computational Materials Engineering (ICME) aims to accelerate optimal design of complex material systems by integrating material science and design automation. For tractable ICME, it is required that (1) a structural feature…

Materials Science · Physics 2017-05-01 Ruijin Cang , Yaopengxiao Xu , Shaohua Chen , Yongming Liu , Yang Jiao , Max Yi Ren

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

Diffusion models have become increasingly popular for generative modeling due to their ability to generate high-quality samples. This has unlocked exciting new possibilities for solving inverse problems, especially in image restoration and…

Recently, diffusion models have attracted considerable attention for magnetic resonance image reconstruction due to their high sample quality. However, most existing methods rely on large networks with opaque time-conditioning mechanisms,…

Computer Vision and Pattern Recognition · Computer Science 2026-05-12 Laurenz Nagler , Martin Zach , Thomas Pock

Diffusion models have emerged as the new state-of-the-art generative model with high quality samples, with intriguing properties such as mode coverage and high flexibility. They have also been shown to be effective inverse problem solvers,…

Computer Vision and Pattern Recognition · Computer Science 2025-10-06 Hyungjin Chung , Dohoon Ryu , Michael T. McCann , Marc L. Klasky , Jong Chul Ye

Phase retrieval is a nonlinear inverse problem that arises in a wide range of imaging modalities, from electron microscopy to Fourier ptychography. In particular, the reconstruction is facilitated when the sensing matrix is i.i.d. random,…

Diffusion models represent a class of generative models that produce data by denoising a sample corrupted by white noise. Despite the success of diffusion models in computer vision, audio synthesis, and point cloud generation, so far they…

Statistical Mechanics · Physics 2025-01-17 Kanta Masuki , Yuto Ashida

Denoising diffusion models have emerged as the go-to generative framework for solving inverse problems in imaging. A critical concern regarding these models is their performance on out-of-distribution tasks, which remains an under-explored…

Computer Vision and Pattern Recognition · Computer Science 2025-01-29 Riccardo Barbano , Alexander Denker , Hyungjin Chung , Tae Hoon Roh , Simon Arridge , Peter Maass , Bangti Jin , Jong Chul Ye

A method of modelling the three-dimensional microstructure of random isotropic two-phase materials is proposed. The information required to implement the technique can be obtained from two-dimensional images of the microstructure. The…

Disordered Systems and Neural Networks · Physics 2009-10-31 Anthony Roberts

Deep learning has shown the capability to substantially accelerate MRI reconstruction while acquiring fewer measurements. Recently, diffusion models have gained burgeoning interests as a novel group of deep learning-based generative…

Image and Video Processing · Electrical Eng. & Systems 2023-06-27 Jiahao Huang , Angelica Aviles-Rivero , Carola-Bibiane Schönlieb , Guang Yang

Diffusion models offer stable training and state-of-the-art performance for deep generative modeling tasks. Here, we consider their use in the context of multivariate subsurface modeling and probabilistic inversion. We first demonstrate…

Computer Vision and Pattern Recognition · Computer Science 2026-01-28 Roberto Miele , Niklas Linde

Crystal structure generation is a foundational challenge in materials discovery, particularly in designing functional inorganic crystalline materials with desired properties. Most existing diffusion-based generative models for crystals rely…

Materials Science · Physics 2025-05-13 Sourav Mal , Subhankar Mishra , Prasenjit Sen

Recent advances in deep learning have enabled the generation of realistic data by training generative models on large datasets of text, images, and audio. While these models have demonstrated exceptional performance in generating novel and…

Materials Science · Physics 2024-06-17 Izumi Takahara , Kiyou Shibata , Teruyasu Mizoguchi

Programmable structures are systems whose undeformed geometries and material property distributions are deliberately designed to achieve prescribed deformed configurations under specific loading conditions. Inflatable structures are a…

Computational Engineering, Finance, and Science · Computer Science 2025-08-19 Sara Karimi , Nikolaos N. Vlassis

The inherent generative power of denoising diffusion models makes them well-suited for image restoration tasks where the objective is to find the optimal high-quality image within the generative space that closely resembles the input image.…

Computer Vision and Pattern Recognition · Computer Science 2024-06-04 Zheng Ding , Xuaner Zhang , Zhuowen Tu , Zhihao Xia

In this study, we develop a conditional diffusion model that proposes the optimal process parameters and predicts the microstructure for the desired mechanical properties. In materials development, it is costly to try many samples with…

Computational Engineering, Finance, and Science · Computer Science 2025-10-27 Arisa Ikeda , Ryo Higuchi , Tomohiro Yokozeki , Katsuhiro Endo , Yuta Kojima , Misato Suzuki , Mayu Muramatsu

In this paper we consider the problem of acoustic inversion in the context of the optoacoustic tomography image reconstruction problem. By leveraging the ability of the recently proposed diffusion models for image generative tasks among…

Image and Video Processing · Electrical Eng. & Systems 2024-04-17 M. G. González , M. Vera , A. Dreszman , L. J. Rey Vega

Out-of-distribution detection is crucial to the safe deployment of machine learning systems. Currently, unsupervised out-of-distribution detection is dominated by generative-based approaches that make use of estimates of the likelihood or…

Synthesizing realistic microstructure images conditioned on processing parameters is crucial for understanding process-structure relationships in materials design. However, this task remains challenging due to limited training micrographs…

Materials Science · Physics 2025-11-21 Hoang Cuong Phan , Minh Tien Tran , Chihun Lee , Hoheok Kim , Sehyeok Oh , Dong-Kyu Kim , Ho Won Lee

In recent years, diffusion models, and more generally score-based deep generative models, have achieved remarkable success in various applications, including image and audio generation. In this paper, we view diffusion models as an implicit…

Statistics Theory · Mathematics 2026-02-12 Hyeok Kyu Kwon , Dongha Kim , Ilsang Ohn , Minwoo Chae
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