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Related papers: VEDA: 3D Molecular Generation via Variance-Explodi…

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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

3D shape generation has greatly flourished through the development of so-called "native" 3D diffusion, particularly through the Vecset Diffusion Model (VDM). While recent advancements have shown promising results in generating…

Computer Vision and Pattern Recognition · Computer Science 2025-03-27 Zeqiang Lai , Yunfei Zhao , Zibo Zhao , Haolin Liu , Fuyun Wang , Huiwen Shi , Xianghui Yang , Qingxiang Lin , Jingwei Huang , Yuhong Liu , Jie Jiang , Chunchao Guo , Xiangyu Yue

3D molecule generation is crucial for drug discovery and material design. While prior efforts focus on 3D diffusion models for their benefits in modeling continuous 3D conformers, they overlook the advantages of 1D SELFIES-based Language…

Quantitative Methods · Quantitative Biology 2025-02-28 Zhiyuan Liu , Yanchen Luo , Han Huang , Enzhi Zhang , Sihang Li , Junfeng Fang , Yaorui Shi , Xiang Wang , Kenji Kawaguchi , Tat-Seng Chua

Unified visual grounding pursues a simple and generic technical route to leverage multi-task data with less task-specific design. The most advanced methods typically present boxes and masks as vertex sequences to model referring detection…

Computer Vision and Pattern Recognition · Computer Science 2023-03-15 Zesen Cheng , Kehan Li , Peng Jin , Xiangyang Ji , Li Yuan , Chang Liu , Jie Chen

Diffusion-based generative models have demonstrated their powerful performance across various tasks, but this comes at a cost of the slow sampling speed. To achieve both efficient and high-quality synthesis, various distillation-based…

Computer Vision and Pattern Recognition · Computer Science 2024-10-01 Zhenyu Zhou , Defang Chen , Can Wang , Chun Chen , Siwei Lyu

Recent advances in generative models, particularly diffusion and auto-regressive models, have revolutionized fields like computer vision and natural language processing. However, their application to structure-based drug design (SBDD)…

Machine Learning · Computer Science 2025-07-29 Yi He , Ailun Wang , Zhi Wang , Yu Liu , Xingyuan Xu , Wen Yan

We present Seed3D 2.0, an advanced 3D content generation system built on Seed3D 1.0, with substantial improvements across generation fidelity, simulation-ready capabilities, and application coverage. For geometry, a coarse-to-fine two-stage…

Deep learning can accurately represent sub-grid-scale convective processes in climate models, learning from high resolution simulations. However, deep learning methods usually lack interpretability due to large internal dimensionality,…

Atmospheric and Oceanic Physics · Physics 2022-09-07 Gunnar Behrens , Tom Beucler , Pierre Gentine , Fernando Iglesias-Suarez , Michael Pritchard , Veronika Eyring

A generative model capable of sampling realistic molecules with desired properties could accelerate chemical discovery across a wide range of applications. Toward this goal, significant effort has focused on developing models that jointly…

Machine Learning · Computer Science 2025-08-19 Ian Dunn , David R. Koes

Text-to-3D generation has shown rapid progress in recent days with the advent of score distillation, a methodology of using pretrained text-to-2D diffusion models to optimize neural radiance field (NeRF) in the zero-shot setting. However,…

Computer Vision and Pattern Recognition · Computer Science 2024-02-07 Junyoung Seo , Wooseok Jang , Min-Seop Kwak , Hyeonsu Kim , Jaehoon Ko , Junho Kim , Jin-Hwa Kim , Jiyoung Lee , Seungryong Kim

Diffusion models have achieved impressive generative quality across modalities like 2D images, videos, and 3D shapes, but their inference remains computationally expensive due to the iterative denoising process. While recent caching-based…

Computer Vision and Pattern Recognition · Computer Science 2026-03-26 Mengyu Yang , Yanming Yang , Chenyi Xu , Chenxi Song , Yufan Zuo , Tong Zhao , Ruibo Li , Chi Zhang

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

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

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

Diffusion models are important in tissue engineering as they enable an understanding of molecular delivery to cells in tissue constructs. As three-dimensional (3D) tissue constructs become larger, more intricate, and more clinically…

Tissues and Organs · Quantitative Biology 2015-12-22 Richard J. McMurtrey

Diffusion models have achieved great success in image generation tasks. However, the lengthy denoising process and complex neural networks hinder their low-latency applications in real-world scenarios. Quantization can effectively reduce…

Computer Vision and Pattern Recognition · Computer Science 2025-06-24 Xuewen Liu , Zhikai Li , Junrui Xiao , Mengjuan Chen , Jianquan Li , Qingyi Gu

The goal of point cloud assembly is to reconstruct a complete 3D shape by aligning multiple point cloud pieces. This work presents a novel equivariant solver for assembly tasks based on flow matching models. We first theoretically show that…

Computer Vision and Pattern Recognition · Computer Science 2026-01-27 Ziming Wang , Nan Xue , Rebecka Jörnsten

Score Distillation Sampling (SDS) has emerged as a prevalent technique for text-to-3D generation, enabling 3D content creation by distilling view-dependent information from text-to-2D guidance. However, they frequently exhibit shortcomings…

Computer Vision and Pattern Recognition · Computer Science 2024-09-20 Zeyu Cai , Duotun Wang , Yixun Liang , Zhijing Shao , Ying-Cong Chen , Xiaohang Zhan , Zeyu Wang

Despite recent advancement in 3D molecule conformation generation driven by diffusion models, its high computational cost in iterative diffusion/denoising process limits its application. In this paper, an equivariant consistency model…

Biomolecules · Quantitative Biology 2023-11-27 Zhiguang Fan , Yuedong Yang , Mingyuan Xu , Hongming Chen

Generating consistent multiple views for 3D reconstruction tasks is still a challenge to existing image-to-3D diffusion models. Generally, incorporating 3D representations into diffusion model decrease the model's speed as well as…

Computer Vision and Pattern Recognition · Computer Science 2024-06-14 Emmanuelle Bourigault , Pauline Bourigault