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Molecule generation, especially generating 3D molecular geometries from scratch (i.e., 3D \textit{de novo} generation), has become a fundamental task in drug designs. Existing diffusion-based 3D molecule generation methods could suffer from…

Machine Learning · Computer Science 2022-09-14 Lei Huang , Hengtong Zhang , Tingyang Xu , Ka-Chun Wong

We present Diff3F as a simple, robust, and class-agnostic feature descriptor that can be computed for untextured input shapes (meshes or point clouds). Our method distills diffusion features from image foundational models onto input shapes.…

Computer Vision and Pattern Recognition · Computer Science 2024-04-04 Niladri Shekhar Dutt , Sanjeev Muralikrishnan , Niloy J. Mitra

Despite remarkable progress having been made on the problem of 3D human pose and shape estimation (HPS), current state-of-the-art methods rely heavily on either confined indoor mocap datasets or datasets generated by a rendering engine…

Computer Vision and Pattern Recognition · Computer Science 2025-10-20 Yongtao Ge , Wenjia Wang , Yongfan Chen , Fanzhou Wang , Lei Yang , Hao Chen , Chunhua Shen

Text-guided diffusion models have shown superior performance in image/video generation and editing. While few explorations have been performed in 3D scenarios. In this paper, we discuss three fundamental and interesting problems on this…

Computer Vision and Pattern Recognition · Computer Science 2023-10-13 Gang Li , Heliang Zheng , Chaoyue Wang , Chang Li , Changwen Zheng , Dacheng Tao

This paper presents DiffSurf, a transformer-based denoising diffusion model for generating and reconstructing 3D surfaces. Specifically, we design a diffusion transformer architecture that predicts noise from noisy 3D surface vertices and…

Computer Vision and Pattern Recognition · Computer Science 2024-08-28 Yusuke Yoshiyasu , Leyuan Sun

In recent years, 3D vision has become a crucial field within computer vision, powering a wide range of applications such as autonomous driving, robotics, augmented reality, and medical imaging. This field relies on accurate perception,…

Computer Vision and Pattern Recognition · Computer Science 2025-04-02 Zhen Wang , Dongyuan Li , Yaozu Wu , Tianyu He , Jiang Bian , Renhe Jiang

Pseudo-healthy image inpainting is an essential preprocessing step for analyzing pathological brain MRI scans. Most current inpainting methods favor slice-wise 2D models for their high in-plane fidelity, but their independence across slices…

Image and Video Processing · Electrical Eng. & Systems 2025-07-25 Dou Hoon Kwark , Shirui Luo , Xiyue Zhu , Yudu Li , Zhi-Pei Liang , Volodymyr Kindratenko

This study presents a novel algorithm based on graph theory for the precise segmentation and measurement of detonation cells from 3D pressure traces, termed detonation lattices, addressing the limitations of manual and primitive 2D edge…

Computer Vision and Pattern Recognition · Computer Science 2026-03-18 Vansh Sharma , Venkat Raman

3D object generation from a single image involves estimating the full 3D geometry and texture of unseen views from an unposed RGB image captured in the wild. Accurately reconstructing an object's complete 3D structure and texture has…

Computer Vision and Pattern Recognition · Computer Science 2024-11-21 Hritam Basak , Hadi Tabatabaee , Shreekant Gayaka , Ming-Feng Li , Xin Yang , Cheng-Hao Kuo , Arnie Sen , Min Sun , Zhaozheng Yin

Generative diffusion models have achieved remarkable success in producing high-quality images. However, these models typically operate in continuous intensity spaces, diffusing independently across pixels and color channels. As a result,…

Graphics · Computer Science 2025-05-20 Javier E. Santos , Agnese Marcato , Roman Colman , Nicholas Lubbers , Yen Ting Lin

Generating molecules that bind to specific proteins is an important but challenging task in drug discovery. Previous works usually generate atoms in an auto-regressive way, where element types and 3D coordinates of atoms are generated one…

Biomolecules · Quantitative Biology 2024-07-16 Haitao Lin , Yufei Huang , Odin Zhang , Siqi Ma , Meng Liu , Xuanjing Li , Lirong Wu , Jishui Wang , Tingjun Hou , Stan Z. Li

Generative models have recently undergone significant advancement due to the diffusion models. The success of these models can be often attributed to their use of guidance techniques, such as classifier or classifier-free guidance, which…

Computer Vision and Pattern Recognition · Computer Science 2023-01-31 Gyeongnyeon Kim , Wooseok Jang , Gyuseong Lee , Susung Hong , Junyoung Seo , Seungryong Kim

Recent months have witnessed rapid progress in 3D generation based on diffusion models. Most advances require fine-tuning existing 2D Stable Diffsuions into multi-view settings or tedious distilling operations and hence fall short of 3D…

Computer Vision and Pattern Recognition · Computer Science 2023-12-19 Suyi Jiang , Haimin Luo , Haoran Jiang , Ziyu Wang , Jingyi Yu , Lan Xu

Since its foundations, more than one hundred years ago, the field of structural biology has strived to understand and analyze the properties of molecules and their interactions by studying the structure that they take in 3D space. However,…

Biomolecules · Quantitative Biology 2023-02-27 Gabriele Corso

Generative models, such as GANs and diffusion models, have been used to augment training sets and boost performances in different tasks. We focus on generative models for cell detection instead, i.e., locating and classifying cells in given…

Computer Vision and Pattern Recognition · Computer Science 2024-09-06 Chen Li , Xiaoling Hu , Shahira Abousamra , Meilong Xu , Chao Chen

Generative models of graphs based on discrete Denoising Diffusion Probabilistic Models (DDPMs) offer a principled approach to molecular generation by systematically removing structural noise through iterative atom and bond adjustments.…

Machine Learning · Computer Science 2025-11-03 Matteo Ninniri , Marco Podda , Davide Bacciu

The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…

Biomolecules · Quantitative Biology 2025-01-09 Bobin Yang , Jie Deng , Zhenghan Chen , Ruoxue Wu

Medical image segmentation often involves inherent uncertainty due to variations in expert annotations. Capturing this uncertainty is an important goal and previous works have used various generative image models for the purpose of…

Computer Vision and Pattern Recognition · Computer Science 2025-08-19 Jakob Lønborg Christensen , Morten Rieger Hannemose , Anders Bjorholm Dahl , Vedrana Andersen Dahl

Diffusion models are a special type of generative model, capable of synthesising new data from a learnt distribution. We introduce DISPR, a diffusion-based model for solving the inverse problem of three-dimensional (3D) cell shape…

Computer Vision and Pattern Recognition · Computer Science 2023-03-15 Dominik J. E. Waibel , Ernst Röell , Bastian Rieck , Raja Giryes , Carsten Marr

Diffusion kernels over graphs have been widely utilized as effective tools in various applications due to their ability to accurately model the flow of information through nodes and edges. However, there is a notable gap in the literature…

Numerical Analysis · Mathematics 2026-04-15 Giuseppe Alessio D'Inverno , Kylian Ajavon , Simone Brugiapaglia