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In the real world, a molecule is a 3D geometric structure. Compared to 1D SMILES sequences and 2D molecular graphs, 3D molecules represent the most informative molecular modality. Despite the rapid progress of autoregressive-based language…

Computational Engineering, Finance, and Science · Computer Science 2025-08-15 Lei Jiang , Shuzhou Sun , Biqing Qi , Yuchen Fu , Xiaohua Xu , Yuqiang Li , Dongzhan Zhou , Tianfan Fu

This paper introduces a novel hierarchical autoencoder that maps 3D models into a highly compressed latent space. The hierarchical autoencoder is specifically designed to tackle the challenges arising from large-scale datasets and…

Computer Vision and Pattern Recognition · Computer Science 2024-10-03 Biao Zhang , Peter Wonka

Automatic layout generation that can synthesize high-quality layouts is an important tool for graphic design in many applications. Though existing methods based on generative models such as Generative Adversarial Networks (GANs) and…

Computer Vision and Pattern Recognition · Computer Science 2023-05-05 Shang Chai , Liansheng Zhuang , Fengying Yan

We introduce the Fixed Point Diffusion Model (FPDM), a novel approach to image generation that integrates the concept of fixed point solving into the framework of diffusion-based generative modeling. Our approach embeds an implicit fixed…

Computer Vision and Pattern Recognition · Computer Science 2024-01-18 Xingjian Bai , Luke Melas-Kyriazi

Although the recent rapid evolution of 3D generative neural networks greatly improves 3D shape generation, it is still not convenient for ordinary users to create 3D shapes and control the local geometry of generated shapes. To address…

Computer Vision and Pattern Recognition · Computer Science 2023-05-10 Xin-Yang Zheng , Hao Pan , Peng-Shuai Wang , Xin Tong , Yang Liu , Heung-Yeung Shum

LiDAR scene generation is critical for mitigating real-world LiDAR data collection costs and enhancing the robustness of downstream perception tasks in autonomous driving. However, existing methods commonly struggle to capture geometric…

Computer Vision and Pattern Recognition · Computer Science 2025-07-31 Jiuming Liu , Zheng Huang , Mengmeng Liu , Tianchen Deng , Francesco Nex , Hao Cheng , Hesheng Wang

We address the problem of data augmentation in a rotating turbulence set-up, a paradigmatic challenge in geophysical applications. The goal is to reconstruct information in two-dimensional (2D) cuts of the three-dimensional flow fields,…

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

We present Gen3R, a method that bridges the strong priors of foundational reconstruction models and video diffusion models for scene-level 3D generation. We repurpose the VGGT reconstruction model to produce geometric latents by training an…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Jiaxin Huang , Yuanbo Yang , Bangbang Yang , Lin Ma , Yuewen Ma , Yiyi Liao

Temporal volume images with 3D+t (4D) information are often used in medical imaging to statistically analyze temporal dynamics or capture disease progression. Although deep-learning-based generative models for natural images have been…

Image and Video Processing · Electrical Eng. & Systems 2022-06-28 Boah Kim , Jong Chul Ye

Diffusion models (DMs) represent state-of-the-art generative models for continuous inputs. DMs work by constructing a Stochastic Differential Equation (SDE) in the input space (ie, position space), and using a neural network to reverse it.…

Machine Learning · Computer Science 2024-05-14 Tianrong Chen , Jiatao Gu , Laurent Dinh , Evangelos A. Theodorou , Joshua Susskind , Shuangfei Zhai

Diffusion-based generative models represent the current state-of-the-art for image generation. However, standard diffusion models are based on Euclidean geometry and do not translate directly to manifold-valued data. In this work, we…

Machine Learning · Computer Science 2023-12-20 Yesukhei Jagvaral , Francois Lanusse , Rachel Mandelbaum

Lidar point cloud synthesis based on generative models offers a promising solution to augment deep learning pipelines, particularly when real-world data is scarce or lacks diversity. By enabling flexible object manipulation, this synthesis…

Computer Vision and Pattern Recognition · Computer Science 2025-07-01 Zhengkang Xiang , Zizhao Li , Amir Khodabandeh , Kourosh Khoshelham

3D generative modeling is accelerating as the technology allowing the capture of geometric data is developing. However, the acquired data is often inconsistent, resulting in unregistered meshes or point clouds. Many generative learning…

Computer Vision and Pattern Recognition · Computer Science 2023-06-29 Thomas Besnier , Sylvain Arguillère , Emery Pierson , Mohamed Daoudi

Diffusion models, as a novel generative paradigm, have achieved remarkable success in various image generation tasks such as image inpainting, image-to-text translation, and video generation. Graph generation is a crucial computational task…

Machine Learning · Computer Science 2023-08-29 Chengyi Liu , Wenqi Fan , Yunqing Liu , Jiatong Li , Hang Li , Hui Liu , Jiliang Tang , Qing Li

Diffusion-based generative models have achieved promising results recently, but raise an array of open questions in terms of conceptual understanding, theoretical analysis, algorithm improvement and extensions to discrete, structured,…

Machine Learning · Computer Science 2022-09-01 Xingchao Liu , Lemeng Wu , Mao Ye , Qiang Liu

Topology optimization enables the automated design of efficient structures by optimally distributing material within a defined domain. However, traditional gradient-based methods often scale poorly with increasing resolution and…

Computational Engineering, Finance, and Science · Computer Science 2025-08-08 Aaron Lutheran , Srijan Das , Alireza Tabarraei

Molecular representation pretraining is critical in various applications for drug and material discovery due to the limited number of labeled molecules, and most existing work focuses on pretraining on 2D molecular graphs. However, the…

Machine Learning · Computer Science 2023-03-02 Shengchao Liu , Hongyu Guo , Jian Tang

Recent endeavors in Multimodal Large Language Models (MLLMs) aim to unify visual comprehension and generation by combining LLM and diffusion models, the state-of-the-art in each task, respectively. Existing approaches rely on spatial visual…

Computer Vision and Pattern Recognition · Computer Science 2025-04-22 Kaihang Pan , Wang Lin , Zhongqi Yue , Tenglong Ao , Liyu Jia , Wei Zhao , Juncheng Li , Siliang Tang , Hanwang Zhang

Denoising diffusion models (DDMs) have shown promising results in 3D point cloud synthesis. To advance 3D DDMs and make them useful for digital artists, we require (i) high generation quality, (ii) flexibility for manipulation and…

Computer Vision and Pattern Recognition · Computer Science 2022-10-14 Xiaohui Zeng , Arash Vahdat , Francis Williams , Zan Gojcic , Or Litany , Sanja Fidler , Karsten Kreis