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Related papers: On Accelerating Diffusion-based Molecular Conforma…

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We study how to generate molecule conformations (i.e., 3D structures) from a molecular graph. Traditional methods, such as molecular dynamics, sample conformations via computationally expensive simulations. Recently, machine learning…

Machine Learning · Computer Science 2021-04-01 Minkai Xu , Shitong Luo , Yoshua Bengio , Jian Peng , Jian Tang

Deep generative models have garnered significant attention in low-level vision tasks due to their generative capabilities. Among them, diffusion model-based solutions, characterized by a forward diffusion process and a reverse denoising…

Computer Vision and Pattern Recognition · Computer Science 2025-02-26 Chunming He , Yuqi Shen , Chengyu Fang , Fengyang Xiao , Longxiang Tang , Yulun Zhang , Wangmeng Zuo , Zhenhua Guo , Xiu Li

We propose L3DG, the first approach for generative 3D modeling of 3D Gaussians through a latent 3D Gaussian diffusion formulation. This enables effective generative 3D modeling, scaling to generation of entire room-scale scenes which can be…

Computer Vision and Pattern Recognition · Computer Science 2024-10-18 Barbara Roessle , Norman Müller , Lorenzo Porzi , Samuel Rota Bulò , Peter Kontschieder , Angela Dai , Matthias Nießner

Diffusion models have become the go-to method for text-to-image generation, producing high-quality images from pure noise. However, the inner workings of diffusion models is still largely a mystery due to their black-box nature and complex,…

Computer Vision and Pattern Recognition · Computer Science 2026-01-23 Berk Tinaz , Zalan Fabian , Mahdi Soltanolkotabi

Garment sewing patterns are fundamental design elements that bridge the gap between design concepts and practical manufacturing. The generative modeling of sewing patterns is crucial for creating diversified garments. However, existing…

Computer Vision and Pattern Recognition · Computer Science 2025-09-23 Xinyu Li , Qi Yao , Yuanda Wang

Diffusion models typically generate data through a fixed denoising trajectory that is shared across all samples. However, generation targets can differ in complexity, suggesting that a single pre-defined diffusion process may not be optimal…

Computer Vision and Pattern Recognition · Computer Science 2026-03-10 Yucheng Xing , Xiaodong Liu , Xin Wang

Diffusion-based generative processes, formulated as differential equation solving, frequently balance computational speed with sample quality. Our theoretical investigation of ODE- and SDE-based solvers reveals complementary weaknesses: ODE…

Computer Vision and Pattern Recognition · Computer Science 2025-11-03 Ruoyu Wang , Beier Zhu , Junzhi Li , Liangyu Yuan , Chi Zhang

Diffusion based approaches to long form text generation suffer from prohibitive computational cost and memory overhead as sequence length increases. We introduce SA-DiffuSeq, a diffusion framework that integrates sparse attention to…

Computation and Language · Computer Science 2025-12-25 Alexandros Christoforos , Chadbourne Davis

Scene flow estimation, which aims to predict per-point 3D displacements of dynamic scenes, is a fundamental task in the computer vision field. However, previous works commonly suffer from unreliable correlation caused by locally constrained…

Computer Vision and Pattern Recognition · Computer Science 2024-05-13 Jiuming Liu , Guangming Wang , Weicai Ye , Chaokang Jiang , Jinru Han , Zhe Liu , Guofeng Zhang , Dalong Du , Hesheng Wang

The Gaussian diffusion model, initially designed for image generation, has recently been adapted for 3D point cloud generation. However, these adaptations have not fully considered the intrinsic geometric characteristics of 3D shapes,…

Graphics · Computer Science 2024-08-01 Dengsheng Chen , Jie Hu , Xiaoming Wei , Enhua Wu

In diffusion models, deviations from a straight generative flow are a common issue, resulting in semantic inconsistencies and suboptimal generations. To address this challenge, we introduce `Non-Cross Diffusion', an innovative approach in…

Machine Learning · Computer Science 2024-11-05 Ziyang Zheng , Ruiyuan Gao , Qiang Xu

Generative models, particularly diffusion models, have made significant success in data synthesis across various modalities, including images, videos, and 3D assets. However, current diffusion models are computationally intensive, often…

Computer Vision and Pattern Recognition · Computer Science 2024-12-10 Yuanzhi Zhu , Hanshu Yan , Huan Yang , Kai Zhang , Junnan Li

We propose a unified diffusion model-based correction and super-resolution method to enhance the fidelity and resolution of diverse low-quality data through a two-step pipeline. First, the correction step employs a novel enhanced stochastic…

Numerical Analysis · Mathematics 2025-05-15 Wuzhe Xu , Yulong Lu , Sifan Wang , Tong-Rui Liu

We consider the task of generating realistic 3D shapes, which is useful for a variety of applications such as automatic scene generation and physical simulation. Compared to other 3D representations like voxels and point clouds, meshes are…

Graphics · Computer Science 2023-04-18 Zhen Liu , Yao Feng , Michael J. Black , Derek Nowrouzezahrai , Liam Paull , Weiyang Liu

Molecular structure elucidation from spectra is a fundamental challenge in molecular science. Conventional approaches rely heavily on expert interpretation and lack scalability, while retrieval-based machine learning approaches remain…

Machine Learning · Computer Science 2025-11-06 Liang Wang , Yu Rong , Tingyang Xu , Zhenyi Zhong , Zhiyuan Liu , Pengju Wang , Deli Zhao , Qiang Liu , Shu Wu , Liang Wang , Yang Zhang

The steep computational cost of diffusion models at inference hinders their use as fast physics emulators. In the context of image and video generation, this computational drawback has been addressed by generating in the latent space of an…

Machine Learning · Computer Science 2025-11-04 François Rozet , Ruben Ohana , Michael McCabe , Gilles Louppe , François Lanusse , Shirley Ho

Diffusion models (DMs) have proven to be effective in modeling high-dimensional distributions, leading to their widespread adoption for representing complex priors in Bayesian inverse problems (BIPs). However, current DM-based posterior…

Machine Learning · Computer Science 2025-06-06 Haoxuan Chen , Yinuo Ren , Martin Renqiang Min , Lexing Ying , Zachary Izzo

Three-dimensional molecular structure generation is typically performed at the level of individual atoms, yet molecular graph generation techniques often consider fragments as their structural units. Building on the advances in frame-based…

Machine Learning · Computer Science 2026-01-26 Roman Poletukhin , Marcel Kollovieh , Eike Eberhard , Stephan Günnemann

Diffusion models have become the go-to method for many generative tasks, particularly for image-to-image generation tasks such as super-resolution and inpainting. Current diffusion-based methods do not provide statistical guarantees…

Computer Vision and Pattern Recognition · Computer Science 2022-11-18 Eliahu Horwitz , Yedid Hoshen

Diffusion-based generative graph models have been proven effective in generating high-quality small graphs. However, they need to be more scalable for generating large graphs containing thousands of nodes desiring graph statistics. In this…

Machine Learning · Computer Science 2023-06-01 Xiaohui Chen , Jiaxing He , Xu Han , Li-Ping Liu