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Point processes model the distribution of random point sets in mathematical spaces, such as spatial and temporal domains, with applications in fields like seismology, neuroscience, and economics. Existing statistical and machine learning…

Machine Learning · Computer Science 2024-10-31 David Lüdke , Enric Rabasseda Raventós , Marcel Kollovieh , Stephan Günnemann

Diffusion models are powerful tools for sampling from high-dimensional distributions by progressively transforming pure noise into structured data through a denoising process. When equipped with a guidance mechanism, these models can also…

Machine Learning · Computer Science 2026-05-04 Saeed Mohseni-Sehdeh , Walid Saad , Kei Sakaguchi , Tao Yu

Diffusion models have become a standard approach for generative modeling in continuous domains, yet their application to discrete data remains challenging. We investigate why Gaussian diffusion models with the DDPM solver struggle to sample…

Computation and Language · Computer Science 2026-05-28 Alexander Shabalin , Simon Elistratov , Viacheslav Meshchaninov , Ildus Sadrtdinov , Dmitry Vetrov

Diffusion models, a specific type of generative model, have achieved unprecedented performance in recent years and consistently produce high-quality synthetic samples. A critical prerequisite for their notable success lies in the presence…

Machine Learning · Computer Science 2024-11-01 Yidong Ouyang , Liyan Xie , Hongyuan Zha , Guang Cheng

Disordered metamaterials are promising for programming physical properties across diverse applications, yet their inverse design remains challenging due to the non-intuitive structure-property relationships and large design spaces. Recent…

Computational Engineering, Finance, and Science · Computer Science 2026-03-18 Ziyuan Xie , Weipeng Xu , Dazhi Zhao , Wenchang Zhang , Daoyang Dong , Bingbing Xu , Ning Liu , Sheng Mao , Tianju Xue

Generative AI presents chemists with novel ideas for drug design and facilitates the exploration of vast chemical spaces. Diffusion models (DMs), an emerging tool, have recently attracted great attention in drug R\&D. This paper…

Biomolecules · Quantitative Biology 2025-07-14 Peining Zhang , Daniel Baker , Minghu Song , Jinbo Bi

Large-scale generative models, such as text-to-image diffusion models, have garnered widespread attention across diverse domains due to their creative and high-fidelity image generation. Nonetheless, existing large-scale diffusion models…

Computer Vision and Pattern Recognition · Computer Science 2024-08-28 Younghyun Kim , Geunmin Hwang , Junyu Zhang , Eunbyung Park

Diffusion models have demonstrated exceptional performances in various fields of generative modeling, but suffer from slow sampling speed due to their iterative nature. While this issue is being addressed in continuous domains, discrete…

Machine Learning · Computer Science 2025-05-12 Satoshi Hayakawa , Yuhta Takida , Masaaki Imaizumi , Hiromi Wakaki , Yuki Mitsufuji

This work studies discrete diffusion probabilistic models with applications to natural language generation. We derive an alternative yet equivalent formulation of the sampling from discrete diffusion processes and leverage this insight to…

Computation and Language · Computer Science 2024-08-05 Lin Zheng , Jianbo Yuan , Lei Yu , Lingpeng Kong

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

Learning dynamical systems from sparse observations is critical in numerous fields, including biology, finance, and physics. Even if tackling such problems is standard in general information fusion, it remains challenging for contemporary…

Machine Learning · Computer Science 2024-06-04 Ella Tamir , Arno Solin

Classifier-Free Guidance (CFG) is a widely used mechanism for controlling diffusion-based generative models, yet its guidance scale is typically treated as a fixed hyperparameter throughout generation. This static design yields a suboptimal…

Computation and Language · Computer Science 2026-05-11 Fan Zhou , Tim Van de Cruys

Mathematically modeling complex transport phenomena at the molecular level can be a powerful tool for identifying transport mechanisms and predicting macroscopic properties. We use two different stochastic time series models, parameterized…

Soft Condensed Matter · Physics 2020-09-11 Benjamin J. Coscia , Michael R. Shirts

Diffusion models have recently shown great promise for generative modeling, outperforming GANs on perceptual quality and autoregressive models at density estimation. A remaining downside is their slow sampling time: generating high quality…

Machine Learning · Computer Science 2022-06-08 Tim Salimans , Jonathan Ho

Diffusion Models~(DMs) have emerged as the dominant approach in Generative Artificial Intelligence (GenAI), owing to their remarkable performance in tasks such as text-to-image synthesis. However, practical DMs, such as stable diffusion,…

Machine Learning · Computer Science 2025-08-18 Xuhui Fan , Zhangkai Wu , Hongyu Wu

Diffusion models exhibit excellent sample quality, but existing guidance methods often require additional model training or are limited to specific tasks. We revisit guidance in diffusion models from the perspective of variational inference…

Machine Learning · Computer Science 2025-05-27 Kushagra Pandey , Farrin Marouf Sofian , Felix Draxler , Theofanis Karaletsos , Stephan Mandt

We address the problem of fine-tuning diffusion models for reward-guided generation in biomolecular design. While diffusion models have proven highly effective in modeling complex, high-dimensional data distributions, real-world…

Diffusion models have emerged as a promising alternative to autoregressive models in modeling discrete categorical data. However, diffusion models that directly work on discrete data space fail to fully exploit the power of iterative…

Machine Learning · Computer Science 2025-10-24 Jaehyeong Jo , Sung Ju Hwang

Text-to-image generation models have achieved remarkable capabilities in synthesizing images, but often struggle to provide fine-grained control over the output. Existing guidance approaches, such as segmentation maps and depth maps,…

Computer Vision and Pattern Recognition · Computer Science 2025-05-20 Sangmin Jung , Utkarsh Nath , Yezhou Yang , Giulia Pedrielli , Joydeep Biswas , Amy Zhang , Hassan Ghasemzadeh , Pavan Turaga

Consistency distillation methods have demonstrated significant success in accelerating generative tasks of diffusion models. However, since previous consistency distillation methods use simple and straightforward strategies in selecting…

Computer Vision and Pattern Recognition · Computer Science 2024-09-04 Cunzheng Wang , Ziyuan Guo , Yuxuan Duan , Huaxia Li , Nemo Chen , Xu Tang , Yao Hu