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Machine learning in drug discovery has been focused on virtual screening of molecular libraries using discriminative models. Generative models are an entirely different approach that learn to represent and optimize molecules in a continuous…

Quantitative Methods · Quantitative Biology 2020-11-17 Matthew Ragoza , Tomohide Masuda , David Ryan Koes

Generative models aim to learn the distribution of observed data by generating new instances. With the advent of neural networks, deep generative models, including variational autoencoders (VAEs), generative adversarial networks (GANs), and…

Computer Vision and Pattern Recognition · Computer Science 2023-08-29 Zifan Shi , Sida Peng , Yinghao Xu , Andreas Geiger , Yiyi Liao , Yujun Shen

As digital medical imaging becomes more prevalent and archives increase in size, representation learning exposes an interesting opportunity for enhanced medical decision support systems. On the other hand, medical imaging data is often…

Computer Vision and Pattern Recognition · Computer Science 2018-07-25 Eduardo Pinho , Carlos Costa

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 emerged as the new state-of-the-art generative model with high quality samples, with intriguing properties such as mode coverage and high flexibility. They have also been shown to be effective inverse problem solvers,…

Computer Vision and Pattern Recognition · Computer Science 2025-10-06 Hyungjin Chung , Dohoon Ryu , Michael T. McCann , Marc L. Klasky , Jong Chul Ye

Generating molecular structures with desired properties is a critical task with broad applications in drug discovery and materials design. We propose 3M-Diffusion, a novel multi-modal molecular graph generation method, to generate diverse,…

Machine Learning · Computer Science 2024-10-04 Huaisheng Zhu , Teng Xiao , Vasant G Honavar

The Diffusion Probabilistic Model (DPM) has emerged as a highly effective generative model in the field of computer vision. Its intermediate latent vectors offer rich semantic information, making it an attractive option for various…

Computer Vision and Pattern Recognition · Computer Science 2023-03-29 Haipeng Zhou , Lei Zhu , Yuyin Zhou

Large-scale vision foundation models such as Segment Anything (SAM) demonstrate impressive performance in zero-shot image segmentation at multiple levels of granularity. However, these zero-shot predictions are rarely 3D-consistent. As the…

Computer Vision and Pattern Recognition · Computer Science 2024-07-19 Haodi He , Colton Stearns , Adam W. Harley , Leonidas J. Guibas

3D image segmentation plays an important role in biomedical image analysis. Many 2D and 3D deep learning models have achieved state-of-the-art segmentation performance on 3D biomedical image datasets. Yet, 2D and 3D models have their own…

Computer Vision and Pattern Recognition · Computer Science 2018-12-11 Hao Zheng , Yizhe Zhang , Lin Yang , Peixian Liang , Zhuo Zhao , Chaoli Wang , Danny Z. Chen

Solving medical imaging data scarcity through semantic image generation has attracted growing attention in recent years. However, existing generative models mainly focus on synthesizing whole-organ or large-tissue structures, showing…

Image and Video Processing · Electrical Eng. & Systems 2025-12-19 Jiahao Xia , Yutao Hu , Yaolei Qi , Zhenliang Li , Wenqi Shao , Junjun He , Ying Fu , Longjiang Zhang , Guanyu Yang

The ability to rapidly develop materials with desired properties has a transformative impact on a broad range of emerging technologies. In this work, we introduce a new framework based on the diffusion model, a recent generative machine…

Deep neural networks have been shown to be very successful at learning feature hierarchies in supervised learning tasks. Generative models, on the other hand, have benefited less from hierarchical models with multiple layers of latent…

Machine Learning · Computer Science 2017-06-12 Shengjia Zhao , Jiaming Song , Stefano Ermon

High-dimensional data must be highly structured to be learnable. Although the compositional and hierarchical nature of data is often put forward to explain learnability, quantitative measurements establishing these properties are scarce.…

Machine Learning · Statistics 2025-03-04 Antonio Sclocchi , Alessandro Favero , Noam Itzhak Levi , Matthieu Wyart

LiDAR-based place recognition serves as a crucial enabler for long-term autonomy in robotics and autonomous driving systems. Yet, prevailing methodologies relying on handcrafted feature extraction face dual challenges: (1) Inconsistent…

Computer Vision and Pattern Recognition · Computer Science 2025-08-28 Xiaohui Jiang , Haijiang Zhu , Chade Li , Fulin Tang , Ning An

Latent diffusion models (LDMs) dominate high-quality image generation, yet integrating representation learning with generative modeling remains a challenge. We introduce a novel generative image modeling framework that seamlessly bridges…

Computer Vision and Pattern Recognition · Computer Science 2026-01-23 Theodoros Kouzelis , Efstathios Karypidis , Ioannis Kakogeorgiou , Spyros Gidaris , Nikos Komodakis

Automated semantic segmentation of cell nuclei in microscopic images is crucial for disease diagnosis and tissue microenvironment analysis. Nonetheless, this task presents challenges due to the complexity and heterogeneity of cells. While…

Image and Video Processing · Electrical Eng. & Systems 2023-08-10 Zhuchen Shao , Sourya Sengupta , Hua Li , Mark A. Anastasio

We present DiffuScene for indoor 3D scene synthesis based on a novel scene configuration denoising diffusion model. It generates 3D instance properties stored in an unordered object set and retrieves the most similar geometry for each…

Computer Vision and Pattern Recognition · Computer Science 2024-03-13 Jiapeng Tang , Yinyu Nie , Lev Markhasin , Angela Dai , Justus Thies , Matthias Nießner

Hyperspectral image analysis has become an important topic widely researched by the remote sensing community. Classification and segmentation of such imagery help understand the underlying materials within a scanned scene, since…

Computer Vision and Pattern Recognition · Computer Science 2020-12-02 Jakub Nalepa , Michal Myller , Yasuteru Imai , Ken-ichi Honda , Tomomi Takeda , Marek Antoniak

We present LT3SD, a novel latent diffusion model for large-scale 3D scene generation. Recent advances in diffusion models have shown impressive results in 3D object generation, but are limited in spatial extent and quality when extended to…

Computer Vision and Pattern Recognition · Computer Science 2025-05-02 Quan Meng , Lei Li , Matthias Nießner , Angela Dai

Transformer-based models, capable of learning better global dependencies, have recently demonstrated exceptional representation learning capabilities in computer vision and medical image analysis. Transformer reformats the image into…