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Molecular conformer generation is a fundamental task in computational chemistry. Several machine learning approaches have been developed, but none have outperformed state-of-the-art cheminformatics methods. We propose torsional diffusion, a…

Chemical Physics · Physics 2023-03-02 Bowen Jing , Gabriele Corso , Jeffrey Chang , Regina Barzilay , Tommi Jaakkola

Denoising diffusion probabilistic models (DDPMs) have achieved impressive performance on various image generation tasks, including image super-resolution. By learning to reverse the process of gradually diffusing the data distribution into…

Image and Video Processing · Electrical Eng. & Systems 2023-07-25 Kai Zhao , Alex Ling Yu Hung , Kaifeng Pang , Haoxin Zheng , Kyunghyun Sung

This paper investigates how diffusion generative models leverage (unknown) low-dimensional structure to accelerate sampling. Focusing on two mainstream samplers -- the denoising diffusion implicit model (DDIM) and the denoising diffusion…

Machine Learning · Statistics 2025-06-18 Jiadong Liang , Zhihan Huang , Yuxin Chen

Realistic temporal dynamics are crucial for many video generation, processing and modelling applications, e.g. in computational fluid dynamics, weather prediction, or long-term climate simulations. Video diffusion models (VDMs) are the…

Machine Learning · Computer Science 2025-05-16 Philipp Hess , Maximilian Gelbrecht , Christof Schötz , Michael Aich , Yu Huang , Shangshang Yang , Niklas Boers

Continuous Conditional Generative Modeling (CCGM) estimates high-dimensional data distributions, such as images, conditioned on scalar continuous variables (aka regression labels). While Continuous Conditional Generative Adversarial…

Computer Vision and Pattern Recognition · Computer Science 2025-08-19 Xin Ding , Yongwei Wang , Kao Zhang , Z. Jane Wang

Dancing with music is always an essential human art form to express emotion. Due to the high temporal-spacial complexity, long-term 3D realist dance generation synchronized with music is challenging. Existing methods suffer from the…

Computer Vision and Pattern Recognition · Computer Science 2023-08-24 Siqi Yang , Zejun Yang , Zhisheng Wang

Diffusion models have made significant contributions to computer vision, sparking a growing interest in the community recently regarding the application of them to graph generation. Existing discrete graph diffusion models exhibit…

Machine Learning · Computer Science 2024-05-07 Xingcheng Fu , Yisen Gao , Yuecen Wei , Qingyun Sun , Hao Peng , Jianxin Li , Xianxian Li

Generating sewing patterns in garment design is receiving increasing attention due to its CG-friendly and flexible-editing nature. Previous sewing pattern generation methods have been able to produce exquisite clothing, but struggle to…

Computer Vision and Pattern Recognition · Computer Science 2025-07-08 Shengqi Liu , Yuhao Cheng , Zhuo Chen , Xingyu Ren , Wenhan Zhu , Lincheng Li , Mengxiao Bi , Xiaokang Yang , Yichao Yan

The challenge in fine-grained visual categorization lies in how to explore the subtle differences between different subclasses and achieve accurate discrimination. Previous research has relied on large-scale annotated data and pre-trained…

Computer Vision and Pattern Recognition · Computer Science 2024-05-16 Tianxu Wu , Shuo Ye , Shuhuang Chen , Qinmu Peng , Xinge You

The growing adoption of generative AI in real-world applications has exposed a critical bottleneck in the computational demands of diffusion-based text-to-image models. In this work, we propose KDC-Diff, a novel and scalable generative…

Computer Vision and Pattern Recognition · Computer Science 2025-10-01 Md. Naimur Asif Borno , Md Sakib Hossain Shovon , Asmaa Soliman Al-Moisheer , Mohammad Ali Moni

Generative models for crystalline materials often rely on equivariant graph neural networks, which capture geometric structure well but are costly to train and slow to sample. We present Crystalite, a lightweight diffusion Transformer for…

Machine Learning · Computer Science 2026-04-03 Tin Hadži Veljković , Joshua Rosenthal , Ivor Lončarić , Jan-Willem van de Meent

Inspired by random walk on graphs, diffusion map (DM) is a class of unsupervised machine learning that offers automatic identification of low-dimensional data structure hidden in a high-dimensional dataset. In recent years, among its many…

Quantum Physics · Physics 2021-11-24 Apimuk Sornsaeng , Ninnat Dangniam , Pantita Palittapongarnpim , Thiparat Chotibut

The intensive computational burden of Stable Diffusion (SD) for text-to-image generation poses a significant hurdle for its practical application. To tackle this challenge, recent research focuses on methods to reduce sampling steps, such…

Generative AI models, such as score-based diffusion models, have recently advanced the field of computational materials science by enabling the generation of new materials with desired properties. In addition, these models could also be…

Materials Science · Physics 2026-01-06 Timo Reents , Arianna Cantarella , Marnik Bercx , Pietro Bonfà , Giovanni Pizzi

Diffusion Probabilistic Models (DPMs) have emerged as the de facto approach for high-fidelity image synthesis, operating diffusion processes on continuous VAE latent, which significantly differ from the text generation methods employed by…

Computer Vision and Pattern Recognition · Computer Science 2024-12-30 Xiaoping Wu , Jie Hu , Xiaoming Wei

Computational imaging is crucial in many disciplines from autonomous driving to life sciences. However, traditional model-driven and iterative methods consume large computational power and lack scalability for imaging. Deep learning (DL) is…

Image and Video Processing · Electrical Eng. & Systems 2024-08-26 Weiru Fan , Xiaobin Tang , Yiyi Liao , Da-Wei Wang

Recent advances in generative modeling, namely Diffusion models, have revolutionized generative modeling, enabling high-quality image generation tailored to user needs. This paper proposes a framework for the generative design of structural…

Drawing from the theory of stochastic differential equations, we introduce a novel sampling method for known distributions and a new algorithm for diffusion generative models with unknown distributions. Our approach is inspired by the…

Statistics Theory · Mathematics 2024-07-12 Xicheng Zhang

Strong generative models can accurately learn channel distributions. This could save recurring costs for physical measurements of the channel. Moreover, the resulting differentiable channel model supports training neural encoders by…

Information Theory · Computer Science 2024-06-12 Muah Kim , Rick Fritschek , Rafael F. Schaefer

Super Resolution (SR) plays a critical role in computer vision, particularly in medical imaging, where hardware and acquisition time constraints often result in low spatial and temporal resolution. While diffusion models have been applied…

Image and Video Processing · Electrical Eng. & Systems 2024-11-01 Vishal Dubey
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