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Understanding and predicting the diverse conformational states of molecules is crucial for advancing fields such as chemistry, material science, and drug development. Despite significant progress in generative models, accurately generating…

Machine Learning · Computer Science 2025-01-14 Zhejun Zhang , Yuanping Chen , Shibing Chu

Drug discovery can be viewed as a combinatorial search over an immense chemical space, motivating the development of deep generative models for de novo molecular design. Among these, GPT-based molecular language models (MLM) have shown…

Machine Learning · Computer Science 2026-02-02 Qianwei Yang , Dong Xu , Zhangfan Yang , Sisi Yuan , Zexuan Zhu , Jianqiang Li , Junkai Ji

Step distillation has become a leading technique for accelerating diffusion models, among which Distribution Matching Distillation (DMD) and Consistency Distillation are two representative paradigms. While consistency methods enforce…

Computer Vision and Pattern Recognition · Computer Science 2026-05-08 Tao Liu , Hao Yan , Mengting Chen , Taihang Hu , Zhengrong Yue , Zihao Pan , Jinsong Lan , Xiaoyong Zhu , Ming-Ming Cheng , Bo Zheng , Yaxing Wang

Accelerating diffusion model sampling is crucial for efficient AIGC deployment. While diffusion distillation methods -- based on distribution matching and trajectory matching -- reduce sampling to as few as one step, they fall short on…

Computer Vision and Pattern Recognition · Computer Science 2025-03-13 Yihong Luo , Tianyang Hu , Jiacheng Sun , Yujun Cai , Jing Tang

Molecular conformation generation aims to generate three-dimensional coordinates of all the atoms in a molecule and is an important task in bioinformatics and pharmacology. Previous methods usually first predict the interatomic distances,…

Artificial Intelligence · Computer Science 2023-01-02 Jinhua Zhu , Yingce Xia , Chang Liu , Lijun Wu , Shufang Xie , Yusong Wang , Tong Wang , Tao Qin , Wengang Zhou , Houqiang Li , Haiguang Liu , Tie-Yan Liu

Diffusion probabilistic models have shown significant progress in video generation; however, their computational efficiency is limited by the large number of sampling steps required. Reducing sampling steps often compromises video quality…

Computer Vision and Pattern Recognition · Computer Science 2026-05-08 Zihan Ding , Chi Jin , Difan Liu , Haitian Zheng , Krishna Kumar Singh , Qiang Zhang , Yan Kang , Zhe Lin , Yuchen Liu

Recent advances in few-step diffusion distillation have enabled efficient image generation, yet aligning these models with human preferences remains challenging. We propose Reward-Tilted Distribution Matching Distillation (RTDMD), a…

Computer Vision and Pattern Recognition · Computer Science 2026-05-29 Yushi Huang , Xiangxin Zhou , Ruoyu Wang , Chi Zhang , Jun Zhang , Tianyu Pang

Current video diffusion models achieve impressive generation quality but struggle in interactive applications due to bidirectional attention dependencies. The generation of a single frame requires the model to process the entire sequence,…

Computer Vision and Pattern Recognition · Computer Science 2025-09-25 Tianwei Yin , Qiang Zhang , Richard Zhang , William T. Freeman , Fredo Durand , Eli Shechtman , Xun Huang

We present SD3.5-Flash, an efficient few-step distillation framework that brings high-quality image generation to accessible consumer devices. Our approach distills computationally prohibitive rectified flow models through a reformulated…

Computer Vision and Pattern Recognition · Computer Science 2025-09-26 Hmrishav Bandyopadhyay , Rahim Entezari , Jim Scott , Reshinth Adithyan , Yi-Zhe Song , Varun Jampani

In this paper, we present the Directly Denoising Diffusion Model (DDDM): a simple and generic approach for generating realistic images with few-step sampling, while multistep sampling is still preserved for better performance. DDDMs require…

Computer Vision and Pattern Recognition · Computer Science 2024-06-03 Dan Zhang , Jingjing Wang , Feng Luo

De novo 3D molecule generation is a pivotal task in drug discovery. However, many recent geometric generative models struggle to produce high-quality 3D structures, even if they maintain 2D validity and topological stability. To tackle this…

Machine Learning · Computer Science 2025-05-27 Danny Reidenbach , Filipp Nikitin , Olexandr Isayev , Saee Paliwal

The de novo generation of molecules with targeted properties is crucial in biology, chemistry, and drug discovery. Current generative models are limited to using single property values as conditions, struggling with complex customizations…

Machine Learning · Computer Science 2024-10-08 Yanchen Luo , Junfeng Fang , Sihang Li , Zhiyuan Liu , Jiancan Wu , An Zhang , Wenjie Du , Xiang Wang

Generative modeling of three-dimensional (3D) molecules is a fundamental yet challenging problem in drug discovery and materials science. Existing approaches typically represent molecules as 3D graphs and co-generate discrete atom types…

Machine Learning · Statistics 2026-03-16 Yuchen Hua , Xingang Peng , Jianzhu Ma , Muhan Zhang

Despite advances in diffusion-based text-to-music (TTM) methods, efficient, high-quality generation remains a challenge. We introduce Presto!, an approach to inference acceleration for score-based diffusion transformers via reducing both…

Distribution matching distillation (DMD) facilitates few-step image generation by aligning a distilled student with a reference multi-step teacher. In practice, however, optimizing DMD can reduce sample diversity in few-step synthesis, and…

Computer Vision and Pattern Recognition · Computer Science 2026-05-20 Tianhe Wu , Ruibin Li , Lei Zhang , Kede Ma

With the emergence of diffusion models as a frontline generative model, many researchers have proposed molecule generation techniques with conditional diffusion models. However, the unavoidable discreteness of a molecule makes it difficult…

Machine Learning · Computer Science 2025-06-05 Jinho Chang , Jong Chul Ye

Sampling from diffusion models involves a slow iterative process that hinders their practical deployment, especially for interactive applications. To accelerate generation speed, recent approaches distill a multi-step diffusion model into a…

Machine Learning · Computer Science 2025-03-11 Yilun Xu , Weili Nie , Arash Vahdat

Latent Diffusion models (LDMs) have achieved remarkable results in synthesizing high-resolution images. However, the iterative sampling process is computationally intensive and leads to slow generation. Inspired by Consistency Models (song…

Computer Vision and Pattern Recognition · Computer Science 2023-10-09 Simian Luo , Yiqin Tan , Longbo Huang , Jian Li , Hang Zhao

Distribution Matching Distillation (DMD) provides an effective distribution-level correction for few-step generation, while relying on an auxiliary fake-score network to track the evolving generative distribution. Recent work combines…

Computer Vision and Pattern Recognition · Computer Science 2026-05-20 Youngjoong Kim , Deokyeong Lee , Jaesik Park

We introduce Efficient Motion Diffusion Model (EMDM) for fast and high-quality human motion generation. Current state-of-the-art generative diffusion models have produced impressive results but struggle to achieve fast generation without…

Computer Vision and Pattern Recognition · Computer Science 2024-11-26 Wenyang Zhou , Zhiyang Dou , Zeyu Cao , Zhouyingcheng Liao , Jingbo Wang , Wenjia Wang , Yuan Liu , Taku Komura , Wenping Wang , Lingjie Liu