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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

Diffusion-based generative modeling has been achieving state-of-the-art results on various generation tasks. Most diffusion models, however, are limited to a single-generation modeling. Can we generalize diffusion models with the ability of…

Computer Vision and Pattern Recognition · Computer Science 2024-09-26 Changyou Chen , Han Ding , Bunyamin Sisman , Yi Xu , Ouye Xie , Benjamin Z. Yao , Son Dinh Tran , Belinda Zeng

Diffusion models have attained prominence for their ability to synthesize a probability distribution for a given dataset via a diffusion process, enabling the generation of new data points with high fidelity. However, diffusion processes…

Machine Learning · Computer Science 2024-11-25 Shervin Khalafi , Dongsheng Ding , Alejandro Ribeiro

The problem of text-guided image generation is a complex task in Computer Vision, with various applications, including creating visually appealing artwork and realistic product images. One popular solution widely used for this task is the…

Computer Vision and Pattern Recognition · Computer Science 2023-04-04 Halil Faruk Karagoz , Gulcin Baykal , Irem Arikan Eksi , Gozde Unal

Diffusion models have emerged as powerful tools for molecular generation, particularly in the context of 3D molecular structures. Inspired by non-equilibrium statistical physics, these models can generate 3D molecular structures with…

Chemical Physics · Physics 2025-05-16 Amira Alakhdar , Barnabas Poczos , Newell Washburn

Understanding how nano- or micro-scale structures and material properties can be optimally configured to attain specific functionalities remains a fundamental challenge. Photonic metasurfaces, for instance, can be spectrally tuned through…

Diffusion models offer stable training and state-of-the-art performance for deep generative modeling tasks. Here, we consider their use in the context of multivariate subsurface modeling and probabilistic inversion. We first demonstrate…

Computer Vision and Pattern Recognition · Computer Science 2026-01-28 Roberto Miele , Niklas Linde

Diffusion models have become a popular approach for image generation and reconstruction due to their numerous advantages. However, most diffusion-based inverse problem-solving methods only deal with 2D images, and even recently published 3D…

Image and Video Processing · Electrical Eng. & Systems 2023-09-04 Suhyeon Lee , Hyungjin Chung , Minyoung Park , Jonghyuk Park , Wi-Sun Ryu , Jong Chul Ye

Recent literature has effectively leveraged diffusion models trained on continuous variables as priors for solving inverse problems. Notably, discrete diffusion models with discrete latent codes have shown strong performance, particularly…

Computer Vision and Pattern Recognition · Computer Science 2025-09-22 Naoki Murata , Chieh-Hsin Lai , Yuhta Takida , Toshimitsu Uesaka , Bac Nguyen , Stefano Ermon , Yuki Mitsufuji

The past decade has witnessed the advances of artificial intelligence with various applications in engineering. Recently, artificial neural network empowered inverse design for metasurfaces has been developed that can design on-demand…

Machine Learning · Computer Science 2022-11-21 Changhao Liu , Fan Yang , Maokun Li , Shenheng Xu

Diffusion models have enabled remarkably high-quality medical image generation, yet it is challenging to enforce anatomical constraints in generated images. To this end, we propose a diffusion model-based method that supports…

Image and Video Processing · Electrical Eng. & Systems 2024-06-21 Nicholas Konz , Yuwen Chen , Haoyu Dong , Maciej A. Mazurowski

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

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

Pre-trained diffusion models have emerged as powerful generative priors for both unconditional and conditional sample generation, yet their outputs often deviate from the characteristics of user-specific target data. Such mismatches are…

Machine Learning · Computer Science 2026-01-14 Matina Mahdizadeh Sani , Nima Jamali , Mohammad Jalali , Farzan Farnia

Designing fiber-reinforced polymer composites (FRPCs) with a tailored nonlinear stress-strain response can enable innovative applications across various industries. Currently, no efforts have achieved the inverse design of FRPCs that target…

Soft Condensed Matter · Physics 2024-12-03 Pei Xu , Yunpeng Wu , Srikanth Pilla , Gang Li , Feng Luo

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

In recent years, 3D vision has become a crucial field within computer vision, powering a wide range of applications such as autonomous driving, robotics, augmented reality, and medical imaging. This field relies on accurate perception,…

Computer Vision and Pattern Recognition · Computer Science 2025-04-02 Zhen Wang , Dongyuan Li , Yaozu Wu , Tianyu He , Jiang Bian , Renhe Jiang

Generative models are powerful tools for sampling from a learned distribution $\mathcal{P}(Y \mid X)$, and inverse-design methods invert this map to find an input $x$ that produces a desired point output $y^*$. However, many design goals…

Machine Learning · Computer Science 2026-05-12 Ori Meidler , Shaul Tolkovsky , Or Zuk

Efficient planning in high-dimensional spaces, such as those involving deformable objects, requires computationally tractable yet sufficiently expressive dynamics models. This paper introduces a method that automatically generates…

Robotics · Computer Science 2025-08-27 Alex LaGrassa , Zixuan Huang , Dmitry Berenson , Oliver Kroemer

The design of aerodynamic shapes, such as airfoils, has traditionally required significant computational resources and relied on predefined design parameters, which limit the potential for novel shape synthesis. In this work, we introduce a…

Machine Learning · Computer Science 2024-12-19 Reid Graves , Amir Barati Farimani