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Concurrent multiscale finite element analysis (FE2) is a powerful approach for high-fidelity modeling of materials for which a suitable macroscopic constitutive model is not available. However, the extreme computational effort associated…

Numerical Analysis · Mathematics 2020-07-16 I. B. C. M. Rocha , P. Kerfriden , F. P. van der Meer

Score-based diffusion models have significantly advanced generative deep learning for image processing. Measurement conditioned models have also been applied to inverse problems such as CT reconstruction. However, the conventional approach,…

Medical Physics · Physics 2025-02-24 Matthew Tivnan , Dufan Wu , Quanzheng Li

Deep generative models have garnered significant attention in low-level vision tasks due to their generative capabilities. Among them, diffusion model-based solutions, characterized by a forward diffusion process and a reverse denoising…

Computer Vision and Pattern Recognition · Computer Science 2025-02-26 Chunming He , Yuqi Shen , Chengyu Fang , Fengyang Xiao , Longxiang Tang , Yulun Zhang , Wangmeng Zuo , Zhenhua Guo , Xiu Li

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

Deep generative models produce data according to a learned representation, e.g. diffusion models, through a process of approximation computing possible samples. Approximation can be understood as reconstruction and the large datasets used…

Human-Computer Interaction · Computer Science 2023-09-25 Luís Arandas , Mick Grierson , Miguel Carvalhais

We present a conditional diffusion model for electromagnetic inverse design that generates structured media geometries directly from target differential scattering cross-section profiles, bypassing expensive iterative optimization. Our 1D…

Machine Learning · Computer Science 2025-11-10 Mikhail Tsukerman , Konstantin Grotov , Pavel Ginzburg

Short-fiber-reinforced composites (SFRC) are high-performance engineering materials for lightweight structural applications in the automotive and electronics industries. Typically, SFRC structures are manufactured by injection molding,…

Computational Engineering, Finance, and Science · Computer Science 2023-01-10 Haoyan Wei , C. T. Wu , Wei Hu , Tung-Huan Su , Hitoshi Oura , Masato Nishi , Tadashi Naito , Stan Chung , Leo Shen

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

Deep generative models such as diffusion and flow matching are powerful machine learning tools capable of learning and sampling from high-dimensional distributions. They are particularly useful when the training data appears to be…

High Energy Physics - Phenomenology · Physics 2026-04-30 Zachary Bogorad , Ibrahim Elsharkawy , Yonatan Kahn , Andrew J. Larkoski , Noam Levi

The paradigm shift toward structure-driven molecule generation has been propelled by advances in deep generative models, such as variational auto-encoders and diffusion models. However, these generative models for molecular design remain…

Machine Learning · Computer Science 2026-04-17 Peidong Liu , Wenbo Zhang , Wei Ju , Jiancheng Lv , Xianggen Liu

Modeling groundwater flow in three-dimensional fractured crystalline media requires accounting for strong spatial heterogeneity induced by fractures. Fine-scale discrete fracture-matrix (DFM) simulations can capture this complexity but are…

Machine Learning · Computer Science 2026-04-06 Martin Špetlík , Jan Březina

Diffusion Models have become a cornerstone of modern generative AI for their exceptional generation quality and controllability. However, their inherent \textit{multi-step iterations} and \textit{complex backbone networks} lead to…

Popularized by their strong image generation performance, diffusion and related methods for generative modeling have found widespread success in visual media applications. In particular, diffusion methods have enabled new approaches to data…

Image and Video Processing · Electrical Eng. & Systems 2026-01-28 Yibo Yang , Stephan Mandt

In medical imaging, generative models are increasingly relied upon for two distinct but equally critical tasks: reconstruction, where the goal is to restore medical imaging (usually inverse problems like inpainting or superresolution), and…

Image and Video Processing · Electrical Eng. & Systems 2025-07-28 Niklas Bubeck , Yundi Zhang , Suprosanna Shit , Daniel Rueckert , Jiazhen Pan

The ability to generate 3D multiphase microstructures on-demand with targeted attributes can greatly accelerate the design of advanced materials. Here, we present a conditional latent diffusion model (LDM) framework that rapidly synthesizes…

Deep Material Network (DMN) has recently emerged as a data-driven surrogate model for heterogeneous materials. Given a particular microstructural morphology, the effective linear and nonlinear behaviors can be successfully approximated by…

Computational Engineering, Finance, and Science · Computer Science 2023-12-15 Tianyi Li

Active learning has been increasingly applied to screening functional materials from existing materials databases with desired properties. However, the number of known materials deposited in the popular materials databases such as ICSD and…

Since their introduction, diffusion models have quickly become the prevailing approach to generative modeling in many domains. They can be interpreted as learning the gradients of a time-varying sequence of log-probability density…

Recently, diffusion models have gained significant attention as a novel set of deep learning-based generative methods. These models attempt to sample data from a Gaussian distribution that adheres to a target distribution, and have been…

Image and Video Processing · Electrical Eng. & Systems 2024-02-20 Chenyan Zhang , Yifei Chen , Zhenxiong Fan , Yiyu Huang , Wenchao Weng , Ruiquan Ge , Dong Zeng , Changmiao Wang

Supervised deep learning methods have shown promise in undersampled Magnetic Resonance Imaging (MRI) reconstruction, but their requirement for paired data limits their generalizability to the diverse MRI acquisition parameters. Recently,…

Image and Video Processing · Electrical Eng. & Systems 2024-06-12 Wei Jiang , Zhuang Xiong , Feng Liu , Nan Ye , Hongfu Sun