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Deep generative models that produce novel molecular structures have the potential to facilitate chemical discovery. Diffusion models currently achieve state of the art performance for 3D molecule generation. In this work, we explore the use…

Biomolecules · Quantitative Biology 2024-05-01 Ian Dunn , David Ryan Koes

Multi-step prediction models, such as diffusion and rectified flow models, have emerged as state-of-the-art solutions for generation tasks. However, these models exhibit higher latency in sampling new frames compared to single-step methods.…

Computer Vision and Pattern Recognition · Computer Science 2024-12-10 Gaurav Shrivastava , Abhinav Shrivastava

Atomic transport underpins the performance of materials in technologies such as energy storage and electronics, yet its simulation remains computationally demanding. In particular, modeling ionic diffusion in solid-state electrolytes (SSEs)…

Materials Science · Physics 2025-10-21 Juno Nam , Sulin Liu , Gavin Winter , KyuJung Jun , Soojung Yang , Rafael Gómez-Bombarelli

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

Flow matching models have recently emerged as an efficient alternative to diffusion, especially for text-guided image generation and editing, offering faster inference through continuous-time dynamics. However, existing flow-based editors…

Computer Vision and Pattern Recognition · Computer Science 2026-02-11 Carmine Zaccagnino , Fabio Quattrini , Enis Simsar , Marta Tintoré Gazulla , Rita Cucchiara , Alessio Tonioni , Silvia Cascianelli

Understanding galaxy morphology evolution across cosmic time requires models that can generate realistic galaxy populations conditioned on redshift. In this work, we study efficient redshift-conditioned generative modeling for astrophysical…

Instrumentation and Methods for Astrophysics · Physics 2026-05-19 Tianyue Yang , Sandro Tacchella , Xiao Xue

Despite their generative power, diffusion models struggle to maintain style consistency across images conditioned on the same style prompt, hindering their practical deployment in creative workflows. While several training-free methods…

Computer Vision and Pattern Recognition · Computer Science 2025-09-23 Jiexuan Zhang , Yiheng Du , Qian Wang , Weiqi Li , Yu Gu , Jian Zhang

Diffusion models create data from noise by inverting the forward paths of data towards noise and have emerged as a powerful generative modeling technique for high-dimensional, perceptual data such as images and videos. Rectified flow is a…

Deploying lightweight medical image segmentation models on edge devices presents two major challenges: 1) efficiently handling the stark contrast between lesion boundaries and background regions, and 2) the sharp drop in accuracy that…

Image and Video Processing · Electrical Eng. & Systems 2025-11-11 Zidong Chen , Fadratul Hafinaz Hassan

Recent advances in large multi-modal generative models have demonstrated impressive capabilities in multi-modal generation, including image and video generation. These models are typically built upon multi-step frameworks like diffusion and…

Computer Vision and Pattern Recognition · Computer Science 2026-01-29 Zhenglin Cheng , Peng Sun , Jianguo Li , Tao Lin

Flow Matching (FM) models achieve remarkable results in generative tasks. Building upon diffusion models, FM's simulation-free training paradigm enables simplicity and efficiency but introduces a train-inference gap: model outputs cannot be…

Machine Learning · Computer Science 2026-01-30 Zhaoyi Li , Jingtao Ding , Yong Li , Shihua Li

We introduce AdvantageFlow, a forward-process reinforcement learning algorithm for rectified flow models. Unlike Flow-GRPO, which optimizes the reverse process, we optimize an advantage-weighted forward-process prediction loss. This…

Machine Learning · Computer Science 2026-05-26 Branislav Kveton , Anup Rao , Subhojyoti Mukherjee , Krishna Kumar Singh , Viet Dac Lai

Motion prediction has been studied in different contexts with models trained on narrow distributions and applied to downstream tasks in human motion prediction and robotics. Simultaneously, recent efforts in scaling video prediction have…

Computer Vision and Pattern Recognition · Computer Science 2025-12-30 Johnathan Xie , Stefan Stojanov , Cristobal Eyzaguirre , Daniel L. K. Yamins , Jiajun Wu

Guidance provides a simple and effective framework for posterior sampling by steering the generation process towards the desired distribution. When modeling discrete data, existing approaches mostly focus on guidance with the first-order…

Machine Learning · Computer Science 2026-04-16 Zhengyan Wan , Yidong Ouyang , Liyan Xie , Fang Fang , Hongyuan Zha , Guang Cheng

Visually-guided acoustic highlighting seeks to rebalance audio in alignment with the accompanying video, creating a coherent audio-visual experience. While visual saliency and enhancement have been widely studied, acoustic highlighting…

Audio and Speech Processing · Electrical Eng. & Systems 2026-02-05 Hugo Malard , Gael Le Lan , Daniel Wong , David Lou Alon , Yi-Chiao Wu , Sanjeel Parekh

Anomaly inspection plays an important role in industrial manufacture. Existing anomaly inspection methods are limited in their performance due to insufficient anomaly data. Although anomaly generation methods have been proposed to augment…

Computer Vision and Pattern Recognition · Computer Science 2024-02-23 Teng Hu , Jiangning Zhang , Ran Yi , Yuzhen Du , Xu Chen , Liang Liu , Yabiao Wang , Chengjie Wang

Image diffusion distillation achieves high-fidelity generation with very few sampling steps. However, applying these techniques directly to video diffusion often results in unsatisfactory frame quality due to the limited visual quality in…

Computer Vision and Pattern Recognition · Computer Science 2024-10-29 Yuanhao Zhai , Kevin Lin , Zhengyuan Yang , Linjie Li , Jianfeng Wang , Chung-Ching Lin , David Doermann , Junsong Yuan , Lijuan Wang

Generative modeling has emerged as a powerful paradigm for representation learning, but its direct applicability to challenging fields like medical imaging remains limited: mere generation, without task alignment, fails to provide a robust…

Machine Learning · Computer Science 2025-10-28 Luca Caldera , Giacomo Bottacini , Lara Cavinato

Graph generative models are essential across diverse scientific domains by capturing complex distributions over relational data. Among them, graph diffusion models achieve superior performance but face inefficient sampling and limited…

Machine Learning · Computer Science 2025-06-17 Yiming Qin , Manuel Madeira , Dorina Thanou , Pascal Frossard

Modern diffusion/flow-based models for image generation typically exhibit two core characteristics: (i) using multi-step sampling, and (ii) operating in a latent space. Recent advances have made encouraging progress on each aspect…

Computer Vision and Pattern Recognition · Computer Science 2026-05-12 Yiyang Lu , Susie Lu , Qiao Sun , Hanhong Zhao , Zhicheng Jiang , Xianbang Wang , Tianhong Li , Zhengyang Geng , Kaiming He