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We report a series of deep learning models to solve complex forward and inverse design problems in molecular modeling and design. Using both diffusion models inspired by nonequilibrium thermodynamics and attention-based transformer…

Materials Science · Physics 2023-06-21 Rachel K. Luu , Marcin Wysokowski , Markus J. Buehler

This study presents a generative optimization framework that builds on a fine-tuned diffusion model and reward-directed sampling to generate high-performance engineering designs. The framework adopts a parametric representation of the…

Machine Learning · Computer Science 2025-08-05 Hadi Keramati , Patrick Kirchen , Mohammed Hannan , Rajeev K. Jaiman

Latest diffusion-based methods for many image restoration tasks outperform traditional models, but they encounter the long-time inference problem. To tackle it, this paper proposes a Wavelet-Based Diffusion Model (WaveDM). WaveDM learns the…

Computer Vision and Pattern Recognition · Computer Science 2024-01-26 Yi Huang , Jiancheng Huang , Jianzhuang Liu , Mingfu Yan , Yu Dong , Jiaxi Lv , Chaoqi Chen , Shifeng Chen

Diffusion models have been extensively utilized in AI-generated content (AIGC) in recent years, thanks to the superior generation capabilities. Combining with semantic communications, diffusion models are used for tasks such as denoising,…

Machine Learning · Computer Science 2025-07-10 Lei Guo , Wei Chen , Yuxuan Sun , Bo Ai , Nikolaos Pappas , Tony Q. S. Quek

Diffusion models have enabled high-quality, conditional image editing capabilities. We propose to expand their arsenal, and demonstrate that off-the-shelf diffusion models can be used for a wide range of cross-domain compositing tasks.…

Computer Vision and Pattern Recognition · Computer Science 2023-05-26 Roy Hachnochi , Mingrui Zhao , Nadav Orzech , Rinon Gal , Ali Mahdavi-Amiri , Daniel Cohen-Or , Amit Haim Bermano

A single-order transmission diffraction grating based on dispersion engineered all-dielectric metasurfaces is proposed and its wavelength discriminating properties have been theoretically described and confirmed using numerical simulations.…

Optics · Physics 2016-08-24 Shulabh Gupta

Diffusion-based inpainting is a powerful tool for the reconstruction of images from sparse data. Its quality strongly depends on the choice of known data. Optimising their spatial location -- the inpainting mask -- is challenging. A…

Image and Video Processing · Electrical Eng. & Systems 2022-05-17 Tobias Alt , Pascal Peter , Joachim Weickert

We propose in this paper an analytically new construct of a diffusion model whose drift and diffusion parameters yield an exponentially time-decaying Signal to Noise Ratio in the forward process. In reverse, the construct cleverly carries…

Image and Video Processing · Electrical Eng. & Systems 2024-08-16 Tanmay Asthana , Yufang Bao , Hamid Krim

Electromagnetic metasurfaces have attracted significant interest recently due to their low profile and advantageous applications. Practically, many metasurface designs start with a set of constraints for the radiated far-field, such as…

Materials Science · Physics 2022-04-04 Stewart Pearson , Parinaz Naseri , Sean V. Hum

Diffusion models have shown remarkable potential in planning and control tasks due to their ability to represent multimodal distributions over actions and trajectories. However, ensuring safety under constraints remains a critical challenge…

Systems and Control · Electrical Eng. & Systems 2025-06-17 Jichen Zhang , Liqun Zhao , Antonis Papachristodoulou , Jack Umenberger

Diffusion models have been used as priors for solving inverse problems. However, existing approaches typically overlook side information that could significantly improve reconstruction quality, especially in severely ill-posed settings. In…

Computer Vision and Pattern Recognition · Computer Science 2026-05-27 Mahdi Farahbakhsh , Vishnu Teja Kunde , Dileep Kalathil , Krishna Narayanan , Jean-Francois Chamberland

In this paper, we study the inverse electromagnetic medium scattering problem of estimating the support and shape of medium scatterers from scattered electric or magnetic near-field data. We shall develop a novel direct sampling method…

Numerical Analysis · Mathematics 2015-06-12 Kazufumi Ito , Bangti Jin , Jun Zou

We show how generative machine learning can be used for the rapid computation of strongly dynamical electron diffraction directly from crystal structures, specifically in large-angle convergent-beam electron diffraction (LACBED) patterns.…

Materials Science · Physics 2025-07-31 Joseph J. Webb , Richard Beanland , Rudolf A. Römer

Diffusion models have recently exhibited remarkable abilities to synthesize striking image samples since the introduction of denoising diffusion probabilistic models (DDPMs). Their key idea is to disrupt images into noise through a fixed…

Computer Vision and Pattern Recognition · Computer Science 2023-03-28 Zijian Zhang , Zhou Zhao , Jun Yu , Qi Tian

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…

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

There is today a growing need to accurately model the angular scattering response of metasurfaces for optical analog processing applications. However, the current metasurface modeling techniques are not well suited for such a task since…

Optics · Physics 2023-01-04 Karim Achouri , Olivier J. F. Martin

We present a latent diffusion-based differentiable inversion method (LD-DIM) for PDE-constrained inverse problems involving high-dimensional spatially distributed coefficients. LD-DIM couples a pretrained latent diffusion prior with an…

Numerical Analysis · Mathematics 2025-12-30 Zihan Lin , QiZhi He

The electronic structure of a material fundamentally determines its underlying physical, and by extension, its functional properties. Consequently, the ability to identify or generate materials with desired electronic properties would…

Materials Science · Physics 2025-04-09 Shuyi Jia , Panchapakesan Ganesh , Victor Fung

Diffusion models have recently emerged as powerful priors for solving inverse problems. While computed tomography (CT) is theoretically a linear inverse problem, it poses many practical challenges. These include correlated noise, artifact…

Image and Video Processing · Electrical Eng. & Systems 2026-02-24 Jiayang Shi , Daniel M. Pelt , K. Joost Batenburg