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Structure-based drug design involves finding ligand molecules that exhibit structural and chemical complementarity to protein pockets. Deep generative methods have shown promise in proposing novel molecules from scratch (de-novo design),…

Quantitative Methods · Quantitative Biology 2021-11-09 Pavol Drotár , Arian Rokkum Jamasb , Ben Day , Cătălina Cangea , Pietro Liò

Deep generative models have shown promising results in generating realistic images, but it is still non-trivial to generate images with complicated structures. The main reason is that most of the current generative models fail to explore…

Machine Learning · Computer Science 2018-07-12 Kun Xu , Haoyu Liang , Jun Zhu , Hang Su , Bo Zhang

3D-consistent image generation from a single 2D semantic label is an important and challenging research topic in computer graphics and computer vision. Although some related works have made great progress in this field, most of the existing…

Computer Vision and Pattern Recognition · Computer Science 2024-03-12 Bo Li , Yi-ke Li , Zhi-fen He , Bin Liu , Yun-Kun Lai

Segmenting an image into its parts is a frequent preprocess for high-level vision tasks such as image editing. However, annotating masks for supervised training is expensive. Weakly-supervised and unsupervised methods exist, but they depend…

Computer Vision and Pattern Recognition · Computer Science 2022-10-11 Xingzhe He , Bastian Wandt , Helge Rhodin

Being able to generate constrained samples is one of the most appealing applications of the deep generators. Conditional generators are one of the successful implementations of such models wherein the created samples are constrained to a…

Image and Video Processing · Electrical Eng. & Systems 2018-05-29 Shabab Bazrafkan , Peter Corcoran

Microstructures of a material form the bridge linking processing conditions - which can be controlled, to the material property - which is the primary interest in engineering applications. Thus a critical task in material design is…

Image and Video Processing · Electrical Eng. & Systems 2019-10-08 Akshay Iyer , Biswadip Dey , Arindam Dasgupta , Wei Chen , Amit Chakraborty

Automatic image synthesis research has been rapidly growing with deep networks getting more and more expressive. In the last couple of years, we have observed images of digits, indoor scenes, birds, chairs, etc. being automatically…

Computer Vision and Pattern Recognition · Computer Science 2016-12-02 Levent Karacan , Zeynep Akata , Aykut Erdem , Erkut Erdem

Generating images via the generative adversarial network (GAN) has attracted much attention recently. However, most of the existing GAN-based methods can only produce low-resolution images of limited quality. Directly generating…

Computer Vision and Pattern Recognition · Computer Science 2019-04-01 Yong Guo , Qi Chen , Jian Chen , Qingyao Wu , Qinfeng Shi , Mingkui Tan

Conditional image synthesis based on user-specified requirements is a key component in creating complex visual content. In recent years, diffusion-based generative modeling has become a highly effective way for conditional image synthesis,…

Computer Vision and Pattern Recognition · Computer Science 2025-06-03 Zheyuan Zhan , Defang Chen , Jian-Ping Mei , Zhenghe Zhao , Jiawei Chen , Chun Chen , Siwei Lyu , Can Wang

In many applications of computer graphics, art and design, it is desirable for a user to provide intuitive non-image input, such as text, sketch, stroke, graph or layout, and have a computer system automatically generate photo-realistic…

Computer Vision and Pattern Recognition · Computer Science 2021-10-04 Yuan Xue , Yuan-Chen Guo , Han Zhang , Tao Xu , Song-Hai Zhang , Xiaolei Huang

Training robust supervised deep learning models for many geospatial applications of computer vision is difficult due to dearth of class-balanced and diverse training data. Conversely, obtaining enough training data for many applications is…

Computer Vision and Pattern Recognition · Computer Science 2020-12-09 Xuerong Xiao , Swetava Ganguli , Vipul Pandey

Generative models using neural network have opened a door to large-scale studies for various application domains, especially for studies that suffer from lack of real samples to obtain statistically robust inference. Typically, these…

Computer Vision and Pattern Recognition · Computer Science 2018-12-12 Seong Jae Hwang , Zirui Tao , Won Hwa Kim , Vikas Singh

Molecule generation is a challenging open problem in cheminformatics. Currently, deep generative approaches addressing the challenge belong to two broad categories, differing in how molecules are represented. One approach encodes molecular…

Machine Learning · Statistics 2020-11-02 Marco Podda , Davide Bacciu , Alessio Micheli

In this paper, we explore the task of generating photo-realistic face images from lines. Previous methods based on conditional generative adversarial networks (cGANs) have shown their power to generate visually plausible images when a…

Computer Vision and Pattern Recognition · Computer Science 2019-10-22 Yuhang Li , Xuejin Chen , Feng Wu , Zheng-Jun Zha

Lipid nanoparticles (LNPs) are vital in modern biomedicine, enabling the effective delivery of mRNA for vaccines and therapies by protecting it from rapid degradation. Among the components of LNPs, ionizable lipids play a key role in RNA…

Machine Learning · Computer Science 2024-12-03 Yuxuan Ou , Jingyi Zhao , Austin Tripp , Morteza Rasoulianboroujeni , José Miguel Hernández-Lobato

The synthesis of product design concepts stands at the crux of early-phase development processes for technical products, traditionally posing an intricate interdisciplinary challenge. The application of deep learning methods, particularly…

Machine Learning · Computer Science 2025-05-22 Phillip Mueller , Lars Mikelsons

Deep generative models are attracting great attention as a new promising approach for molecular design. All models reported so far are based on either variational autoencoder (VAE) or generative adversarial network (GAN). Here we propose a…

Chemical Physics · Physics 2019-12-13 Seung Hwan Hong , Jaechang Lim , Seongok Ryu , Woo Youn Kim

To design a drug given a biological molecule by using deep learning methods, there are many successful models published recently. People commonly used generative models to design new molecules given certain protein. LiGAN was regarded as…

Machine Learning · Computer Science 2022-11-15 Haotian Zhang , Linxiaoyi Wan

Large generative diffusion models have revolutionized text-to-image generation and offer immense potential for conditional generation tasks such as image enhancement, restoration, editing, and compositing. However, their widespread adoption…

Computer Vision and Pattern Recognition · Computer Science 2024-02-20 Kangfu Mei , Mauricio Delbracio , Hossein Talebi , Zhengzhong Tu , Vishal M. Patel , Peyman Milanfar

Recent studies have demonstrated that diffusion models are capable of generating high-quality samples, but their quality heavily depends on sampling guidance techniques, such as classifier guidance (CG) and classifier-free guidance (CFG).…

Computer Vision and Pattern Recognition · Computer Science 2025-07-08 Donghoon Ahn , Hyoungwon Cho , Jaewon Min , Wooseok Jang , Jungwoo Kim , SeonHwa Kim , Hyun Hee Park , Kyong Hwan Jin , Seungryong Kim
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