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Conditional generative models typically demand large annotated training sets to achieve high-quality synthesis. As a result, there has been significant interest in designing models that perform plug-and-play generation, i.e., to use a…

Computer Vision and Pattern Recognition · Computer Science 2023-10-03 Nithin Gopalakrishnan Nair , Anoop Cherian , Suhas Lohit , Ye Wang , Toshiaki Koike-Akino , Vishal M. Patel , Tim K. Marks

Diffusion models offer a powerful means of capturing the manifold of realistic protein structures, enabling rapid design for protein engineering tasks. However, existing approaches observe critical failure modes when precise constraints are…

Biomolecules · Quantitative Biology 2026-03-27 Jacob K. Christopher , Austin Seamann , Jingyi Cui , Sagar Khare , Ferdinando Fioretto

Diffusion models excel at capturing the natural design spaces of images, molecules, DNA, RNA, and protein sequences. However, rather than merely generating designs that are natural, we often aim to optimize downstream reward functions while…

We propose a diffusion-based inverse rendering framework that decomposes a single RGB image into geometry, material, and lighting. Inverse rendering is inherently ill-posed, making it difficult to predict a single accurate solution. To…

Computer Vision and Pattern Recognition · Computer Science 2025-03-14 JunYong Choi , Min-Cheol Sagong , SeokYeong Lee , Seung-Won Jung , Ig-Jae Kim , Junghyun Cho

Solving ill-posed inverse problems requires careful formulation of prior beliefs over the signals of interest and an accurate description of their manifestation into noisy measurements. Handcrafted signal priors based on e.g. sparsity are…

Machine Learning · Computer Science 2025-08-14 Tristan S. W. Stevens , Hans van Gorp , Faik C. Meral , Junseob Shin , Jason Yu , Jean-Luc Robert , Ruud J. G. van Sloun

Generative machine learning models have revolutionized material discovery by capturing complex structure-property relationships, yet extending these approaches to the inverse design of three-dimensional metamaterials remains limited by…

Computational Engineering, Finance, and Science · Computer Science 2026-04-27 Li Zheng , Siddhant Kumar , Dennis M. Kochmann

Solving inverse problems without any training involves using a pretrained generative model and making appropriate modifications to the generation process to avoid finetuning of the generative model. While recent methods have explored the…

Computer Vision and Pattern Recognition · Computer Science 2024-10-22 Ashwini Pokle , Matthew J. Muckley , Ricky T. Q. Chen , Brian Karrer

Diffusion models are widely used for generative tasks across domains. Given a pre-trained diffusion model, it is often desirable to fine-tune it further either to correct for errors in learning or to align with downstream applications.…

Since its foundations, more than one hundred years ago, the field of structural biology has strived to understand and analyze the properties of molecules and their interactions by studying the structure that they take in 3D space. However,…

Biomolecules · Quantitative Biology 2023-02-27 Gabriele Corso

Sampling from diffusion probabilistic models (DPMs) can be viewed as a piecewise distribution transformation, which generally requires hundreds or thousands of steps of the inverse diffusion trajectory to get a high-quality image. Recent…

Computer Vision and Pattern Recognition · Computer Science 2023-07-24 Zezeng Li , ShengHao Li , Zhanpeng Wang , Na Lei , Zhongxuan Luo , Xianfeng Gu

The design of an experiment, e.g., the setting of initial conditions, strongly influences the accuracy of the whole process of determining model parameters from data. We impose a sensitivity-based approach for choosing optimal design…

Numerical Analysis · Mathematics 2016-02-11 Stefan Kindermann , Stepan Papacek

Diffusion generative models transform noise into data by inverting a process that progressively adds noise to data samples. Inspired by concepts from the renormalization group in physics, which analyzes systems across different scales, we…

Machine Learning · Computer Science 2024-10-04 Mathis Gerdes , Max Welling , Miranda C. N. Cheng

Diffusion Probabilistic Models (DPMs) are powerful generative models that have achieved unparalleled success in a number of generative tasks. In this work, we aim to build inductive biases into the training and sampling of diffusion models…

Machine Learning · Computer Science 2025-03-14 Thomas Jiralerspong , Berton Earnshaw , Jason Hartford , Yoshua Bengio , Luca Scimeca

It is of great concern to produce numerically efficient methods for moisture diffusion through porous media, capable of accurately calculate moisture distribution with a reduced computational effort. In this way, model reduction methods are…

Computational Physics · Physics 2020-02-20 Suelen Gasparin , Julien Berger , Denys Dutykh , Nathan Mendes

Complex degradations like noise, blur, and low resolution are typical challenges in real world image fusion tasks, limiting the performance and practicality of existing methods. End to end neural network based approaches are generally…

Computer Vision and Pattern Recognition · Computer Science 2026-04-13 Yu Shi , Yu Liu , Zhong-Cheng Wu , Juan Cheng , Huafeng Li , Xun Chen

Recent deep learning approaches seek to automate CAD creation by representing a model as a sequence of discrete commands and parameters, and then generating them using autoregressive models or continuous diffusion operating in Euclidean…

Computer Vision and Pattern Recognition · Computer Science 2026-05-07 Honghu Pan , Xiaoling Luo , Yongyong Chen , Zhenyu He , Pengyang Wang

We consider the inverse problem of estimating parameters of a driven diffusion (e.g., the underlying fluid flow, diffusion coefficient, or source terms) from point measurements of a passive scalar (e.g., the concentration of a pollutant).…

Numerical Analysis · Mathematics 2019-05-22 Jeff Borggaard , Nathan E. Glatt-Holtz , Justin A. Krometis

Diffusion probabilistic models (DPMs) are a key component in modern generative models. DPM-solvers have achieved reduced latency and enhanced quality significantly, but have posed challenges to find the exact inverse (i.e., finding the…

Computer Vision and Pattern Recognition · Computer Science 2023-12-01 Seongmin Hong , Kyeonghyun Lee , Suh Yoon Jeon , Hyewon Bae , Se Young Chun

Latent Diffusion models (LDMs) have achieved remarkable results in synthesizing high-resolution images. However, the iterative sampling process is computationally intensive and leads to slow generation. Inspired by Consistency Models (song…

Computer Vision and Pattern Recognition · Computer Science 2023-10-09 Simian Luo , Yiqin Tan , Longbo Huang , Jian Li , Hang Zhao

Diffusion models represent a powerful family of generative models widely used for image and video generation. However, the time-consuming deployment, long inference time, and requirements on large memory hinder their applications on…

Machine Learning · Computer Science 2025-04-18 Kafeng Wang , Jianfei Chen , He Li , Zhenpeng Mi , Jun Zhu
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