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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

Heterogeneous porous materials play a crucial role in various engineering systems. Microstructure characterization and reconstruction provide effective means for modeling these materials, which are critical for conducting physical property…

Computational Physics · Physics 2025-11-19 Zhenchuan Ma , Qizhi Teng , Pengcheng Yan , Lindong Li , Kirill M. Gerke , Marina V. Karsanina , Xiaohai He

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

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

Advances in microscopy imaging enable researchers to visualize structures at the nanoscale level thereby unraveling intricate details of biological organization. However, challenges such as image noise, photobleaching of fluorophores, and…

Image and Video Processing · Electrical Eng. & Systems 2024-09-19 Pamela Osuna-Vargas , Maren H. Wehrheim , Lucas Zinz , Johanna Rahm , Ashwin Balakrishnan , Alexandra Kaminer , Mike Heilemann , Matthias Kaschube

Despite the proliferation of generative models, achieving fast sampling during inference without compromising sample diversity and quality remains challenging. Existing models such as Denoising Diffusion Probabilistic Models (DDPM) deliver…

Machine Learning · Computer Science 2023-10-12 Yanwu Xu , Mingming Gong , Shaoan Xie , Wei Wei , Matthias Grundmann , Kayhan Batmanghelich , Tingbo Hou

Deep Generative Models (DGMs) are widely used to create innovative designs across multiple industries, ranging from fashion to the automotive sector. In addition to generating images of high visual quality, the task of structural design…

Computer Vision and Pattern Recognition · Computer Science 2023-11-21 Jiajie Fan , Laure Vuaille , Thomas Bäck , Hao Wang

Diffusion magnetic resonance imaging (dMRI) is a crucial non-invasive technique for exploring the microstructure of the living human brain. Traditional hand-crafted and model-based tissue microstructure reconstruction methods often require…

Image and Video Processing · Electrical Eng. & Systems 2025-02-26 Xinrui Ma , Jian Cheng , Wenxin Fan , Ruoyou Wu , Yongquan Ye , Shanshan Wang

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

This paper investigates how diffusion generative models leverage (unknown) low-dimensional structure to accelerate sampling. Focusing on two mainstream samplers -- the denoising diffusion implicit model (DDIM) and the denoising diffusion…

Machine Learning · Statistics 2025-06-18 Jiadong Liang , Zhihan Huang , Yuxin Chen

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

We propose ReMiDi, a novel method for inferring neuronal microstructure as arbitrary 3D meshes using a differentiable diffusion Magnetic Resonance Imaging (dMRI) simulator. We first implemented in PyTorch a differentiable dMRI simulator…

Image and Video Processing · Electrical Eng. & Systems 2025-03-03 Prathamesh Pradeep Khole , Zahra Kais Petiwala , Shri Prathaa Magesh , Ehsan Mirafzali , Utkarsh Gupta , Jing-Rebecca Li , Andrada Ianus , Razvan Marinescu

A diffusion probabilistic model (DPM), which constructs a forward diffusion process by gradually adding noise to data points and learns the reverse denoising process to generate new samples, has been shown to handle complex data…

Computer Vision and Pattern Recognition · Computer Science 2023-10-16 Zhengxiong Luo , Dayou Chen , Yingya Zhang , Yan Huang , Liang Wang , Yujun Shen , Deli Zhao , Jingren Zhou , Tieniu Tan

The three-dimensional (3D) microstructures of polycrystalline materials exert a critical influence on their mechanical and physical properties. Realistic, controllable construction of these microstructures is a key step toward elucidating…

Computer Vision and Pattern Recognition · Computer Science 2026-03-13 Chi Chen , Tianle Jiang , Xiaodong Wei , Yanming Wang

This paper presents PolyDiffuse, a novel structured reconstruction algorithm that transforms visual sensor data into polygonal shapes with Diffusion Models (DM), an emerging machinery amid exploding generative AI, while formulating…

Computer Vision and Pattern Recognition · Computer Science 2023-12-27 Jiacheng Chen , Ruizhi Deng , Yasutaka Furukawa

Generative models of graphs based on discrete Denoising Diffusion Probabilistic Models (DDPMs) offer a principled approach to molecular generation by systematically removing structural noise through iterative atom and bond adjustments.…

Machine Learning · Computer Science 2025-11-03 Matteo Ninniri , Marco Podda , Davide Bacciu

Due to the high complexity and technical requirements of industrial production processes, surface defects will inevitably appear, which seriously affects the quality of products. Although existing lightweight detection networks are highly…

Computer Vision and Pattern Recognition · Computer Science 2024-08-27 Xuyi Yu

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

A major obstacle to establishing reliable structure-property (SP) linkages in materials engineering is the scarcity of diverse 3D microstructure datasets. Limited dataset availability and insufficient control over the analysis and design…

Materials Science · Physics 2025-11-14 Kang-Hyun Lee , Faez Ahmed

Diffusion models have emerged as a prominent technique in generative modeling with neural networks, making their mark in tasks like text-to-image translation and super-resolution. In this tutorial, we provide a comprehensive guide to build…

Image and Video Processing · Electrical Eng. & Systems 2025-01-24 Harshith Bachimanchi , Giovanni Volpe