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This tutorial provides an in-depth guide on inference-time guidance and alignment methods for optimizing downstream reward functions in diffusion models. While diffusion models are renowned for their generative modeling capabilities,…

Artificial Intelligence · Computer Science 2025-01-22 Masatoshi Uehara , Yulai Zhao , Chenyu Wang , Xiner Li , Aviv Regev , Sergey Levine , Tommaso Biancalani

Mechanical metamaterial is a synthetic material that can possess extraordinary physical characteristics, such as abnormal elasticity, stiffness, and stability, by carefully designing its internal structure. To make metamaterials contain…

Computational Engineering, Finance, and Science · Computer Science 2024-06-11 Yanyan Yang , Lili Wang , Xiaoya Zhai , Kai Chen , Wenming Wu , Yunkai Zhao , Ligang Liu , Xiao-Ming Fu

We introduce the Fixed Point Diffusion Model (FPDM), a novel approach to image generation that integrates the concept of fixed point solving into the framework of diffusion-based generative modeling. Our approach embeds an implicit fixed…

Computer Vision and Pattern Recognition · Computer Science 2024-01-18 Xingjian Bai , Luke Melas-Kyriazi

A popular approach to protein design is to combine a generative model with a discriminative model for conditional sampling. The generative model samples plausible sequences while the discriminative model guides a search for sequences with…

The performance of optimization-based robot motion planning algorithms is highly dependent on the initial solutions, commonly obtained by running a sampling-based planner to obtain a collision-free path. However, these methods can be slow…

Robotics · Computer Science 2025-08-15 J. Carvalho , A. Le , P. Kicki , D. Koert , J. Peters

Diffusion models excel at creating visually-convincing images, but they often struggle to meet subtle constraints inherent in the training data. Such constraints could be physics-based (e.g., satisfying a PDE), geometric (e.g., respecting…

Machine Learning · Computer Science 2025-04-11 Berthy T. Feng , Ricardo Baptista , Katherine L. Bouman

As one of the most popular and sought-after generative models in the recent years, diffusion models have sparked the interests of many researchers and steadily shown excellent advantage in various generative tasks such as image synthesis,…

Computer Vision and Pattern Recognition · Computer Science 2024-10-17 Zhiyuan Ma , Yuzhu Zhang , Guoli Jia , Liangliang Zhao , Yichao Ma , Mingjie Ma , Gaofeng Liu , Kaiyan Zhang , Jianjun Li , Bowen Zhou

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

Diffusion models have emerged as powerful generative priors for solving inverse imaging problems. However, their practical deployment is hindered by the substantial computational cost of slow, multi-step sampling. Although Consistency…

Image and Video Processing · Electrical Eng. & Systems 2025-12-04 Amirreza Tanevardi , Pooria Abbas Rad Moghadam , Seyed Mohammad Eshtehardian , Sajjad Amini , Babak Khalaj

As one of the most successful generative models, diffusion models have demonstrated remarkable efficacy in synthesizing high-quality images. These models learn the underlying high-dimensional data distribution in an unsupervised manner.…

Computer Vision and Pattern Recognition · Computer Science 2024-12-12 Min Hou , Yueying Wu , Chang Xu , Yu-Hao Huang , Chenxi Bai , Le Wu , Jiang Bian

This paper introduces an approach to endow generative diffusion processes the ability to satisfy and certify compliance with constraints and physical principles. The proposed method recast the traditional sampling process of generative…

Machine Learning · Computer Science 2024-11-05 Jacob K Christopher , Stephen Baek , Ferdinando Fioretto

We present an novel framework for efficiently and effectively extending the powerful continuous diffusion processes to discrete modeling. Previous approaches have suffered from the discrepancy between discrete data and continuous modeling.…

Machine Learning · Computer Science 2024-10-31 Yuxuan Gu , Xiaocheng Feng , Lei Huang , Yingsheng Wu , Zekun Zhou , Weihong Zhong , Kun Zhu , Bing Qin

Diffusion and flow-based generative models have achieved remarkable success in domains such as image synthesis, video generation, and natural language modeling. In this work, we extend these advances to weight space learning by leveraging…

Machine Learning · Computer Science 2025-10-17 Daniel Saragih , Deyu Cao , Tejas Balaji

Designing materials with targeted properties remains challenging due to the vastness of chemical space and the scarcity of property-labeled data. While recent advances in generative models offer a promising way for inverse design, most…

Inverse design, the process of matching a device or process parameters to exhibit a desired performance, is applied in many disciplines ranging from material design over chemical processes and to engineering. Machine learning has emerged as…

Machine Learning · Computer Science 2022-08-31 Michel Frising , Jorge Bravo-Abad , Ferry Prins

Diffusion generative models unlock new possibilities for inverse problems as they allow for the incorporation of strong empirical priors in scientific inference. Recently, diffusion models are repurposed for solving inverse problems using…

Subwavelength photonic structures and metamaterials provide revolutionary approaches for controlling light. The inverse design methods proposed for these subwavelength structures are vital to the development of new photonic devices.…

Generative models such as denoising diffusion models are quickly advancing their ability to approximate highly complex data distributions. They are also increasingly leveraged in scientific machine learning, where samples from the implied…

Machine Learning · Computer Science 2025-03-14 Jan-Hendrik Bastek , WaiChing Sun , Dennis M. Kochmann

Diffusion models can generate a variety of high-quality images by modeling complex data distributions. Trained diffusion models can also be very effective image priors for solving inverse problems. Most of the existing diffusion-based…

Image and Video Processing · Electrical Eng. & Systems 2025-09-01 Nebiyou Yismaw , Ulugbek S. Kamilov , M. Salman Asif

We apply inverse design methods to produce two-dimensional plasma metamaterial (PMM) devices. Backpropagated finite difference frequency domain (FDFD) simulations are used to design waveguides and demultiplexers operating under both…

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