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Diffusion models have demonstrated remarkable performance in generating unimodal data across various tasks, including image, video, and text generation. On the contrary, the joint generation of multimodal data through diffusion models is…

Machine Learning · Computer Science 2025-06-16 Kevin Rojas , Yuchen Zhu , Sichen Zhu , Felix X. -F. Ye , Molei Tao

Recent methods for molecular generation face a trade-off: they either enforce strict equivariance with costly architectures or relax it to gain scalability and flexibility. We propose a frame-based diffusion paradigm that achieves…

Machine Learning · Computer Science 2025-10-07 Mohan Guo , Cong Liu , Patrick Forré

This paper proposes a unified diffusion framework (dubbed UniDiffuser) to fit all distributions relevant to a set of multi-modal data in one model. Our key insight is -- learning diffusion models for marginal, conditional, and joint…

Machine Learning · Computer Science 2023-05-31 Fan Bao , Shen Nie , Kaiwen Xue , Chongxuan Li , Shi Pu , Yaole Wang , Gang Yue , Yue Cao , Hang Su , Jun Zhu

Generating molecules that bind to specific proteins is an important but challenging task in drug discovery. Previous works usually generate atoms in an auto-regressive way, where element types and 3D coordinates of atoms are generated one…

Biomolecules · Quantitative Biology 2024-07-16 Haitao Lin , Yufei Huang , Odin Zhang , Siqi Ma , Meng Liu , Xuanjing Li , Lirong Wu , Jishui Wang , Tingjun Hou , Stan Z. Li

Diffusion Transformers (DiT) have emerged as a widely adopted backbone for high-fidelity image and video generation, yet their iterative denoising process incurs high computational costs. Existing training-free acceleration methods rely on…

Computer Vision and Pattern Recognition · Computer Science 2026-02-23 Hanshuai Cui , Zhiqing Tang , Qianli Ma , Zhi Yao , Weijia Jia

Equivariant diffusion models have emerged as the prevailing approach for generating novel crystal materials due to their ability to leverage the physical symmetries of periodic material structures. However, current models do not effectively…

Machine Learning · Computer Science 2025-03-04 Kishalay Das , Subhojyoti Khastagir , Pawan Goyal , Seung-Cheol Lee , Satadeep Bhattacharjee , Niloy Ganguly

Modeling the time-dependent evolution of electron density is essential for understanding quantum mechanical behaviors of condensed matter and enabling predictive simulations in spectroscopy, photochemistry, and ultrafast science. Yet, while…

Computational Physics · Physics 2025-09-03 Yuan Chiang , Youngsoo Choi , Daniel Osei-Kuffuor

Recent advancements in Diffusion Transformer (DiT) models have significantly improved 3D point cloud generation. However, existing methods primarily focus on local feature extraction while overlooking global topological information, such as…

Computer Vision and Pattern Recognition · Computer Science 2025-05-15 Zechao Guan , Feng Yan , Shuai Du , Lin Ma , Qingshan Liu

Controllable pathology image synthesis requires reliable regulation of spatial layout, tissue morphology, and semantic detail. However, existing text-guided diffusion models offer only coarse global control and lack the ability to enforce…

Computer Vision and Pattern Recognition · Computer Science 2026-03-17 Yuntao Shou , Xiangyong Cao , Qian Zhao , Deyu Meng

Generative artificial intelligence (AI) refers to algorithms that create synthetic but realistic output. Diffusion models currently offer state of the art performance in generative AI for images. They also form a key component in more…

Machine Learning · Computer Science 2023-12-27 Catherine F. Higham , Desmond J. Higham , Peter Grindrod

The launch of ChatGPT has garnered global attention, marking a significant milestone in the field of Generative Artificial Intelligence. While Generative AI has been in effect for the past decade, the introduction of ChatGPT has ignited a…

Machine Learning · Computer Science 2024-05-08 Staphord Bengesi , Hoda El-Sayed , Md Kamruzzaman Sarker , Yao Houkpati , John Irungu , Timothy Oladunni

Latent generative modeling, where a pretrained autoencoder maps pixels into a latent space for the diffusion process, has become the standard strategy for Diffusion Transformers (DiT); however, the autoencoder component has barely evolved.…

Computer Vision and Pattern Recognition · Computer Science 2025-10-14 Boyang Zheng , Nanye Ma , Shengbang Tong , Saining Xie

Diffusion models, a powerful and universal generative AI technology, have achieved tremendous success in computer vision, audio, reinforcement learning, and computational biology. In these applications, diffusion models provide flexible…

Machine Learning · Computer Science 2024-04-12 Minshuo Chen , Song Mei , Jianqing Fan , Mengdi Wang

The Diffusion Transformer (DiT) architecture is the state-of-the-art paradigm for high-fidelity image generation, underpinning models like Stable Diffusion-3 and FLUX.1. However, deploying these models on resource-constrained mobile devices…

Computer Vision and Pattern Recognition · Computer Science 2026-05-18 Kunpeng Du , Haizhen Xie , Sen Lu , Lei Yu , Binglei Bao , Huaao Tang , Chuntao Liu , Hao Wu , Yang Zhao , Zhicai Huang , Heyuan Gao , Zhijun Tu , Jie Hu , Xinghao Chen

Bimanual manipulation is essential in robotics, yet developing foundation models is extremely challenging due to the inherent complexity of coordinating two robot arms (leading to multi-modal action distributions) and the scarcity of…

Robotics · Computer Science 2025-03-04 Songming Liu , Lingxuan Wu , Bangguo Li , Hengkai Tan , Huayu Chen , Zhengyi Wang , Ke Xu , Hang Su , Jun Zhu

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

The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…

Biomolecules · Quantitative Biology 2025-01-09 Bobin Yang , Jie Deng , Zhenghan Chen , Ruoxue Wu

Diffusion-based methods have been acknowledged as a powerful paradigm for end-to-end visuomotor control in robotics. Most existing approaches adopt a Diffusion Policy in U-Net architecture (DP-U), which, while effective, suffers from…

Robotics · Computer Science 2025-09-30 Linzhi Wu , Aoran Mei , Xiyue Wang , Guo-Niu Zhu , Zhongxue Gan

Diffusion models have revolutionized generative AI, with their inherent capacity to generate highly realistic state-of-the-art synthetic data. However, these models employ an iterative denoising process over computationally intensive layers…

Hardware Architecture · Computer Science 2026-03-10 Tharini Suresh , Salma Afifi , Sudeep Pasricha

Latent diffusion models (LDMs) dominate high-quality image generation, yet integrating representation learning with generative modeling remains a challenge. We introduce a novel generative image modeling framework that seamlessly bridges…

Computer Vision and Pattern Recognition · Computer Science 2026-01-23 Theodoros Kouzelis , Efstathios Karypidis , Ioannis Kakogeorgiou , Spyros Gidaris , Nikos Komodakis