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Molecule generation, especially generating 3D molecular geometries from scratch (i.e., 3D \textit{de novo} generation), has become a fundamental task in drug designs. Existing diffusion-based 3D molecule generation methods could suffer from…

Machine Learning · Computer Science 2022-09-14 Lei Huang , Hengtong Zhang , Tingyang Xu , Ka-Chun Wong

Discrete diffusion models have emerged as a powerful class of models and a promising route to fast language generation, but practical implementations typically rely on factored reverse transitions ignoring cross-token dependencies and…

Machine Learning · Computer Science 2026-05-14 Dario Shariatian , Alain Durmus , Umut Simsekli , Stefano Peluchetti

A diffuse-interface model for microstructure with an arbitrary number of components and phases was developed from basic thermodynamic and kinetic principles and formalized within a variational framework. The model includes a composition…

Materials Science · Physics 2011-07-28 Daniel A. Cogswell , W. Craig Carter

Despite the availability of large-scale 3D datasets and advancements in 3D generative models, the complexity and uneven quality of 3D geometry and texture data continue to hinder the performance of 3D generation techniques. In most existing…

Computer Vision and Pattern Recognition · Computer Science 2025-05-29 Xin Yang , Jiantao Lin , Yingjie Xu , Haodong Li , Yingcong Chen

Spatial profiling technologies in biology, such as imaging mass cytometry (IMC) and spatial transcriptomics (ST), generate high-dimensional, multi-channel data with strong spatial alignment and complex inter-channel relationships.…

Machine Learning · Computer Science 2025-07-08 Haoran Zhang , Mingyuan Zhou , Wesley Tansey

Accurate prediction of physical fields is critical in various engineering applications, including thermal management in electronic systems, airfoil shape optimization in aerospace, and flow field control in hypersonic vehicles. This study…

Fluid Dynamics · Physics 2026-03-12 Yuan Jia , Chi Zhang , Hao Ma , Qiao Zhang , Kai Liu , Chih-Yung Wen

Diffusion models have been widely adopted in image generation, producing higher-quality and more diverse samples than generative adversarial networks (GANs). We introduce a latent diffusion model (LDM) for precipitation nowcasting -…

Atmospheric and Oceanic Physics · Physics 2023-04-26 Jussi Leinonen , Ulrich Hamann , Daniele Nerini , Urs Germann , Gabriele Franch

Text-conditioned diffusion models have emerged as a promising tool for neural video generation. However, current models still struggle with intricate spatiotemporal prompts and often generate restricted or incorrect motion. To address these…

Computer Vision and Pattern Recognition · Computer Science 2024-05-07 Long Lian , Baifeng Shi , Adam Yala , Trevor Darrell , Boyi Li

Diffusion-based models demonstrate impressive generation capabilities. However, they also have a massive number of parameters, resulting in enormous model sizes, thus making them unsuitable for deployment on resource-constraint devices.…

Computer Vision and Pattern Recognition · Computer Science 2024-09-04 Avideep Mukherjee , Soumya Banerjee , Piyush Rai , Vinay P. Namboodiri

Recently, with the tremendous success of diffusion models in the field of text-to-image (T2I) generation, increasing attention has been directed toward their potential in text-to-video (T2V) applications. However, the computational demands…

Computer Vision and Pattern Recognition · Computer Science 2025-01-29 Wenfeng Lin , Jiangchuan Wei , Boyuan Liu , Yichen Zhang , Shiyue Yan , Mingyu Guo

Latent diffusion models offer an attractive alternative to discrete diffusion for non-autoregressive text generation by operating on continuous text representations and denoising entire sequences in parallel. The major challenge in latent…

Computation and Language · Computer Science 2026-05-11 Viacheslav Meshchaninov , Alexander Shabalin , Egor Chimbulatov , Nikita Gushchin , Ilya Koziev , Alexander Korotin , Dmitry Vetrov

We present a latent diffusion-based differentiable inversion method (LD-DIM) for PDE-constrained inverse problems involving high-dimensional spatially distributed coefficients. LD-DIM couples a pretrained latent diffusion prior with an…

Numerical Analysis · Mathematics 2025-12-30 Zihan Lin , QiZhi He

The efficiency of multi-agent systems driven by large language models (LLMs) largely hinges on their communication topology. However, designing an optimal topology is a non-trivial challenge, as it requires balancing competing objectives…

Computation and Language · Computer Science 2026-05-19 Eric Hanchen Jiang , Mengting Li , Guancheng Wan , Sophia Yin , Yuchen Wu , Xiao Liang , Xinfeng Li , Yizhou Sun , Wei Wang , Kai-Wei Chang , Ying Nian Wu

We identify and analyze a surprising phenomenon of Latent Diffusion Models (LDMs) where the final steps of the diffusion can degrade sample quality. In contrast to conventional arguments that justify early stopping for numerical stability,…

Machine Learning · Statistics 2026-03-03 Yu-Han Wu , Quentin Berthet , Gérard Biau , Claire Boyer , Romuald Elie , Pierre Marion

This work introduces a new latent diffusion model to generate high-quality 3D chest CT scans conditioned on 3D anatomical masks. The method synthesizes volumetric images of size 256x256x256 at 1 mm isotropic resolution using a single…

Computer Vision and Pattern Recognition · Computer Science 2025-10-22 Anna Oliveras , Roger Marí , Rafael Redondo , Oriol Guardià , Ana Tost , Bhalaji Nagarajan , Carolina Migliorelli , Vicent Ribas , Petia Radeva

Diffusion-based generative models have demonstrated a capacity for perceptually impressive synthesis, but can they also be great likelihood-based models? We answer this in the affirmative, and introduce a family of diffusion-based…

Machine Learning · Computer Science 2023-04-17 Diederik P. Kingma , Tim Salimans , Ben Poole , Jonathan Ho

Most music generation models directly generate a single music mixture. To allow for more flexible and controllable generation, the Multi-Source Diffusion Model (MSDM) has been proposed to model music as a mixture of multiple instrumental…

Audio and Speech Processing · Electrical Eng. & Systems 2025-06-18 Zhongweiyang Xu , Debottam Dutta , Yu-Lin Wei , Romit Roy Choudhury

Large-scale diffusion models have achieved remarkable success in generating high-quality images from textual descriptions, gaining popularity across various applications. However, the generation of layered content, such as transparent…

Computer Vision and Pattern Recognition · Computer Science 2024-12-06 Yusuf Dalva , Yijun Li , Qing Liu , Nanxuan Zhao , Jianming Zhang , Zhe Lin , Pinar Yanardag

Although deep learning has achieved appealing results on several machine learning tasks, most of the models are deterministic at inference, limiting their application to single-modal settings. We propose a novel general-purpose framework…

Machine Learning · Computer Science 2020-10-12 Sameera Ramasinghe , Kanchana Ranasinghe , Salman Khan , Nick Barnes , Stephen Gould

Understanding and representing the structure of 3D objects in an unsupervised manner remains a core challenge in computer vision and graphics. Most existing unsupervised keypoint methods are not designed for unconditional generative…

Computer Vision and Pattern Recognition · Computer Science 2025-12-04 Rhys Newbury , Juyan Zhang , Tin Tran , Hanna Kurniawati , Dana Kulić