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The design of novel protein structures remains a challenge in protein engineering for applications across biomedicine and chemistry. In this line of work, a diffusion model over rigid bodies in 3D (referred to as frames) has shown success…

Machine Learning · Computer Science 2023-05-24 Jason Yim , Brian L. Trippe , Valentin De Bortoli , Emile Mathieu , Arnaud Doucet , Regina Barzilay , Tommi Jaakkola

Diffusion models have been widely used in time series and spatio-temporal data, enhancing generative, inferential, and downstream capabilities. These models are applied across diverse fields such as healthcare, recommendation, climate,…

Machine Learning · Computer Science 2025-12-09 Yiyuan Yang , Ming Jin , Haomin Wen , Chaoli Zhang , Yuxuan Liang , Lintao Ma , Yi Wang , Chenghao Liu , Bin Yang , Zenglin Xu , Shirui Pan , Qingsong Wen

Medical vision-language pre-training methods mainly leverage the correspondence between paired medical images and radiological reports. Although multi-view spatial images and temporal sequences of image-report pairs are available in…

Artificial Intelligence · Computer Science 2024-05-31 Jinxia Yang , Bing Su , Wayne Xin Zhao , Ji-Rong Wen

While diffusion models can successfully generate data and make predictions, they are predominantly designed for static images. We propose an approach for efficiently training diffusion models for probabilistic spatiotemporal forecasting,…

Machine Learning · Computer Science 2023-10-12 Salva Rühling Cachay , Bo Zhao , Hailey Joren , Rose Yu

Diffusion models achieve strong generation quality, diversity, and distribution coverage, but their performance often comes with expensive inference. In this work, we propose Stochastic Transition-Map Distillation (STMD), a teacher-free…

Machine Learning · Computer Science 2026-05-11 George Rapakoulias , Peter Garud , Lingjiong Zhu , Panagiotis Tsiotras

Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language…

Biomolecules · Quantitative Biology 2025-06-11 Logan Hallee , Nikolaos Rafailidis , David B. Bichara , Jason P. Gleghorn

We present a new adaptive resolution technique for efficient particle-based multiscale molecular dynamics (MD) simulations. The presented approach is tailor-made for molecular systems where atomistic resolution is required only in spatially…

Soft Condensed Matter · Physics 2007-05-23 Matej Praprotnik , Luigi Delle Site , Kurt Kremer

Molecular dynamics (MD) simulations are a crucial computational tool for researchers to understand and engineer molecular structure and function in areas such as drug discovery, protein engineering, and material design. Despite their…

Multimodal remote sensing technology significantly enhances the understanding of surface semantics by integrating heterogeneous data such as optical images, Synthetic Aperture Radar (SAR), and Digital Surface Models (DSM). However, in…

Computer Vision and Pattern Recognition · Computer Science 2026-01-27 Tong Wang , Xiaodong Zhang , Guanzhou Chen , Jiaqi Wang , Chenxi Liu , Xiaoliang Tan , Wenchao Guo , Xuyang Li , Xuanrui Wang , Zifan Wang

Molecular dynamics (MD) simulations are a central tool in science and engineering enabling the study of dynamical behavior and the link between microscopic structure and macroscopic function. Their high computational cost, however, has…

Chemical Physics · Physics 2026-01-22 Salman N. Salman , Sergey A. Shteingolts , Ron Levie , Dan Mendels

Score-based diffusion models (SBDM) have recently emerged as state-of-the-art approaches for image generation. Existing SBDMs are typically formulated in a finite-dimensional setting, where images are considered as tensors of finite size.…

Machine Learning · Computer Science 2024-10-22 Paul Hagemann , Sophie Mildenberger , Lars Ruthotto , Gabriele Steidl , Nicole Tianjiao Yang

By leveraging the text-to-image diffusion priors, score distillation can synthesize 3D contents without paired text-3D training data. Instead of spending hours of online optimization per text prompt, recent studies have been focused on…

Computer Vision and Pattern Recognition · Computer Science 2024-07-03 Zhiyuan Ma , Yuxiang Wei , Yabin Zhang , Xiangyu Zhu , Zhen Lei , Lei Zhang

Motivated by single-molecule experiments on synaptic membrane protein domains, we use a stochastic lattice model to study protein reaction and diffusion processes in crowded membranes. We find that the stochastic reaction-diffusion dynamics…

Subcellular Processes · Quantitative Biology 2016-11-08 Osman Kahraman , Yiwei Li , Christoph A. Haselwandter

Mobile robots are often deployed over long durations in diverse open, dynamic scenes, including indoor setting such as warehouses and manufacturing facilities, and outdoor settings such as agricultural and roadway operations. A core…

Robotics · Computer Science 2026-02-13 Mingfeng Yuan , Hao Zhang , Mahan Mohammadi , Runhao Li , Jinjun Shan , Steven L. Waslander

Recent advancements in the ability to construct three-dimensional (3D) tissues and organoids from stem cells and biomaterials have not only opened abundant new research avenues in disease modeling and regenerative medicine but also have…

Tissues and Organs · Quantitative Biology 2017-07-27 Richard J. McMurtrey

Multimodal large language models (MLLMs) have demonstrated remarkable potential in bridging visual and textual reasoning, yet their reliance on text-centric priors often limits their ability to disentangle semantically similar actions in…

Computer Vision and Pattern Recognition · Computer Science 2026-04-20 Zhenlong Yuan , Xiangyan Qu , Chengxuan Qian , Rui Chen , Jing Tang , Lei Sun , Xiangxiang Chu , Dapeng Zhang , Yiwei Wang , Yujun Cai , Shuo Li

Diffusion Language Models (DLMs) enable parallel decoding via iterative denoising, where remasking strategies play a critical role in balancing inference speed and output quality. Existing methods predominantly rely on static confidence…

Computation and Language · Computer Science 2026-02-24 Xinhao Sun , Huaijin Zhao , Maoliang Li , Zihao Zheng , Jiayu Chen , Yun Liang , Xiang Chen

Diffusion models have recently achieved remarkable performance in image super-resolution (SR), but their high computational cost limits practical deployment in remote sensing applications. To address this issue, we propose SlimDiffSR, a…

Computer Vision and Pattern Recognition · Computer Science 2026-05-19 Ce Wang , Zhenyu Hu , Wanjie Sun

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

We present Stable Video Diffusion - a latent video diffusion model for high-resolution, state-of-the-art text-to-video and image-to-video generation. Recently, latent diffusion models trained for 2D image synthesis have been turned into…

Computer Vision and Pattern Recognition · Computer Science 2023-11-28 Andreas Blattmann , Tim Dockhorn , Sumith Kulal , Daniel Mendelevitch , Maciej Kilian , Dominik Lorenz , Yam Levi , Zion English , Vikram Voleti , Adam Letts , Varun Jampani , Robin Rombach
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