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Large pretrained diffusion models have demonstrated impressive generation capabilities and have been adapted to various downstream tasks. However, unlike Large Language Models (LLMs) that can learn multiple tasks in a single model based on…

Computer Vision and Pattern Recognition · Computer Science 2024-12-10 Ming Tao , Bing-Kun Bao , Yaowei Wang , Changsheng Xu

Diffusion models, as a class of deep generative models, have recently emerged as powerful tools for robot skills by enabling stable training with reliable convergence. In this paper, we present an end-to-end framework for generating long,…

Conventional class-guided diffusion models generally succeed in generating images with correct semantic content, but often struggle with texture details. This limitation stems from the usage of class priors, which only provide coarse and…

Computer Vision and Pattern Recognition · Computer Science 2024-10-14 Xiaoyu Yue , Zidong Wang , Zeyu Lu , Shuyang Sun , Meng Wei , Wanli Ouyang , Lei Bai , Luping Zhou

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

Can we train a 3D molecule generator using data from dense regions to generate samples in sparse regions? This challenge can be framed as an out-of-distribution (OOD) generation problem. While prior research on OOD generation predominantly…

Machine Learning · Computer Science 2026-03-03 Haokai Hong , Wanyu Lin , Ming Yang , Kay Chen Tan

At the core of both successful generative and self-supervised representation learning models there is a reconstruction objective that incorporates some form of image corruption. Diffusion models implement this approach through a scheduled…

Computer Vision and Pattern Recognition · Computer Science 2024-06-26 Philippe Hansen-Estruch , Sriram Vishwanath , Amy Zhang , Manan Tomar

Diffusion models have recently been successfully applied to a wide range of robotics applications for learning complex multi-modal behaviors from data. However, prior works have mostly been confined to single-robot and small-scale…

Robotics · Computer Science 2025-05-08 Yorai Shaoul , Itamar Mishani , Shivam Vats , Jiaoyang Li , Maxim Likhachev

Diffusion models (DMs) produce high-quality images, yet their sampling remains costly when adapted to new domains. Distilled DMs are faster but typically remain confined within their teacher's domain. Thus, fast and high-quality generation…

Computer Vision and Pattern Recognition · Computer Science 2026-03-26 Yara Bahram , Mélodie Desbos , Mohammadhadi Shateri , Eric Granger

Molecule generation is a very important practical problem, with uses in drug discovery and material design, and AI methods promise to provide useful solutions. However, existing methods for molecule generation focus either on 2D graph…

Machine Learning · Computer Science 2024-02-07 Chenqing Hua , Sitao Luan , Minkai Xu , Rex Ying , Jie Fu , Stefano Ermon , Doina Precup

Diffusion generative models transform noise into data by inverting a process that progressively adds noise to data samples. Inspired by concepts from the renormalization group in physics, which analyzes systems across different scales, we…

Machine Learning · Computer Science 2024-10-04 Mathis Gerdes , Max Welling , Miranda C. N. Cheng

Masked diffusion models (MDMs) have achieved notable progress in modeling discrete data, while their potential in molecular generation remains underexplored. In this work, we explore their potential and introduce the surprising result that…

Machine Learning · Computer Science 2025-09-29 Hyunjin Seo , Taewon Kim , Sihyun Yu , SungSoo Ahn

Despite the remarkable generative capabilities of diffusion models, their integration into safety-critical or scientifically rigorous applications remains hindered by the need to ensure compliance with stringent physical, structural, and…

Machine Learning · Computer Science 2025-06-03 Jacob K. Christopher , Michael Cardei , Jinhao Liang , Ferdinando Fioretto

We introduce Transfusion, a recipe for training a multi-modal model over discrete and continuous data. Transfusion combines the language modeling loss function (next token prediction) with diffusion to train a single transformer over…

Artificial Intelligence · Computer Science 2024-08-21 Chunting Zhou , Lili Yu , Arun Babu , Kushal Tirumala , Michihiro Yasunaga , Leonid Shamis , Jacob Kahn , Xuezhe Ma , Luke Zettlemoyer , Omer Levy

Diffusion models show promise for 3D molecular generation, but face a fundamental trade-off between sampling efficiency and conformational accuracy. While flow-based models are fast, they often produce geometrically inaccurate structures,…

Chemical Physics · Physics 2025-12-05 Peining Zhang , Jinbo Bi , Minghu Song

Generative tasks about molecules, including but not limited to molecule generation, are crucial for drug discovery and material design, and have consistently attracted significant attention. In recent years, diffusion models have emerged as…

Machine Learning · Computer Science 2025-02-14 Liang Wang , Chao Song , Zhiyuan Liu , Yu Rong , Qiang Liu , Shu Wu , Liang Wang

This paper introduces MIDI, a novel paradigm for compositional 3D scene generation from a single image. Unlike existing methods that rely on reconstruction or retrieval techniques or recent approaches that employ multi-stage…

Computer Vision and Pattern Recognition · Computer Science 2025-07-18 Zehuan Huang , Yuan-Chen Guo , Xingqiao An , Yunhan Yang , Yangguang Li , Zi-Xin Zou , Ding Liang , Xihui Liu , Yan-Pei Cao , Lu Sheng

Recently, large-scale diffusion models, e.g., Stable diffusion and DallE2, have shown remarkable results on image synthesis. On the other hand, large-scale cross-modal pre-trained models (e.g., CLIP, ALIGN, and FILIP) are competent for…

Computer Vision and Pattern Recognition · Computer Science 2023-08-21 Runhui Huang , Jianhua Han , Guansong Lu , Xiaodan Liang , Yihan Zeng , Wei Zhang , Hang Xu

Diffusion models have demonstrated highly-expressive generative capabilities in vision and NLP. Recent studies in reinforcement learning (RL) have shown that diffusion models are also powerful in modeling complex policies or trajectories in…

Machine Learning · Computer Science 2023-10-11 Haoran He , Chenjia Bai , Kang Xu , Zhuoran Yang , Weinan Zhang , Dong Wang , Bin Zhao , Xuelong Li

Recent advancements in deep learning for medical image segmentation are often limited by the scarcity of high-quality training data.While diffusion models provide a potential solution by generating synthetic images, their effectiveness in…

Computer Vision and Pattern Recognition · Computer Science 2025-07-02 Jianhao Xie , Ziang Zhang , Zhenyu Weng , Yuesheng Zhu , Guibo Luo

Molecular dynamics (MD) has long been the de facto choice for simulating complex atomistic systems from first principles. Recently deep learning models become a popular way to accelerate MD. Notwithstanding, existing models depend on…

Computational Engineering, Finance, and Science · Computer Science 2023-01-10 Fang Wu , Stan Z. Li