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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

Recent methods have shown that pre-trained diffusion models can be fine-tuned to enable generative inverse rendering by learning image-conditioned noise-to-intrinsic mapping. Despite their remarkable progress, they struggle to robustly…

Computer Vision and Pattern Recognition · Computer Science 2025-07-15 Rongjia Zheng , Qing Zhang , Chengjiang Long , Wei-Shi Zheng

Denoising diffusion models represent a recent emerging topic in computer vision, demonstrating remarkable results in the area of generative modeling. A diffusion model is a deep generative model that is based on two stages, a forward…

Computer Vision and Pattern Recognition · Computer Science 2025-01-17 Florinel-Alin Croitoru , Vlad Hondru , Radu Tudor Ionescu , Mubarak Shah

Deep learning has emerged as a key tool for designing nanophotonic structures that manipulate light at sub-wavelength scales. We investigate how to inversely design plasmonic nanostructures using conditional generative adversarial networks.…

Optics · Physics 2026-05-21 Petter Persson , Nils Henriksson , Nicolò Maccaferri

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

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

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

Inverse design problems are common in engineering and materials science. The forward direction, i.e., computing output quantities from design parameters, typically requires running a numerical simulation, such as a FEM, as an intermediate…

Machine Learning · Computer Science 2026-02-18 Jens U. Kreber , Christian Weißenfels , Joerg Stueckler

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

Diffusion models generate samples through an iterative denoising process, guided by a neural network. While training the denoiser on real-world data is computationally demanding, the sampling procedure itself is more flexible. This…

Machine Learning · Computer Science 2026-02-10 Constant Bourdrez , Alexandre Vérine , Olivier Cappé

The inverse design of metasurfaces faces inherent challenges due to the nonlinear and highly complex relationship between geometric configurations and their electromagnetic behavior. Traditional optimization approaches often suffer from…

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

Diffusion models excel at generating high-quality, diverse images but suffer from training data memorization, raising critical privacy and safety concerns. Data unlearning has emerged to mitigate this issue by removing the influence of…

Machine Learning · Computer Science 2026-03-31 Qitan Shi , Cheng Jin , Jiawei Zhang , Yuantao Gu

Metamaterials are artificially engineered structures that manipulate electromagnetic waves, having optical properties absent in natural materials. Recently, machine learning for the inverse design of metamaterials has drawn attention.…

Recently, machine learning has been introduced in the inverse design of physical devices, i.e., the automatic generation of device geometries for a desired physical response. In particular, generative adversarial networks have been proposed…

Optics · Physics 2025-02-18 Timo Gahlmann , Philippe Tassin

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

Deep learning-based image generation has seen significant advancements with diffusion models, notably improving the quality of generated images. Despite these developments, generating images with unseen characteristics beneficial for…

We propose self-diffusion, a novel framework for solving inverse problems without relying on pretrained generative models. Traditional diffusion-based approaches require training a model on a clean dataset to learn to reverse the forward…

Machine Learning · Computer Science 2025-12-09 Guanxiong Luo , Shoujin Huang , Yanlong Yang

The reconstruction of unsteady flow fields from limited measurements is a challenging and crucial task for many engineering applications. Machine learning models are gaining popularity for solving this problem due to their ability to learn…

Fluid Dynamics · Physics 2026-01-09 Marc Amorós-Trepat , Luis Medrano-Navarro , Qiang Liu , Luca Guastoni , Nils Thuerey

The inverse design of microstructures plays a pivotal role in optimizing metamaterials with specific, targeted physical properties. While traditional forward design methods are constrained by their inability to explore the vast…

Computer Vision and Pattern Recognition · Computer Science 2025-02-06 Tianyang Xue , Haochen Li , Longdu Liu , Paul Henderson , Pengbin Tang , Lin Lu , Jikai Liu , Haisen Zhao , Hao Peng , Bernd Bickel