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Without knowledge of specific pockets, generating ligands based on the global structure of a protein target plays a crucial role in drug discovery as it helps reduce the search space for potential drug-like candidates in the pipeline.…

Biomolecules · Quantitative Biology 2023-10-02 Nhat Khang Ngo , Truong Son Hy

Reliable fault detection is an essential requirement for safe and efficient operation of complex mechanical systems in various industrial applications. Despite the abundance of existing approaches and the maturity of the fault detection…

Signal Processing · Electrical Eng. & Systems 2024-08-19 Tianfu Li , Chuang Sun , Ruqiang Yan , Xuefeng Chen

Variational Autoencoder (VAE) and its variations are classic generative models by learning a low-dimensional latent representation to satisfy some prior distribution (e.g., Gaussian distribution). Their advantages over GAN are that they can…

Computer Vision and Pattern Recognition · Computer Science 2020-09-24 Cong Geng , Jia Wang , Li Chen , Zhiyong Gao

In recent years, deep learning based generative models, particularly Generative Adversarial Networks (GANs), Variational Autoencoders (VAEs), and Diffusion Models (DMs), have been instrumental in in generating diverse, high-quality content…

Computer Vision and Pattern Recognition · Computer Science 2025-10-28 Shamim Yazdani , Akansha Singh , Nripsuta Saxena , Zichong Wang , Avash Palikhe , Deng Pan , Umapada Pal , Jie Yang , Wenbin Zhang

A large part of the literature on learning disentangled representations focuses on variational autoencoders (VAE). Recent developments demonstrate that disentanglement cannot be obtained in a fully unsupervised setting without inductive…

Machine Learning · Computer Science 2021-02-11 Graziano Mita , Maurizio Filippone , Pietro Michiardi

The Variational Autoencoder (VAE) is known to suffer from the phenomenon of \textit{posterior collapse}, where the latent representations generated by the model become independent of the inputs. This leads to degenerated representations of…

Machine Learning · Computer Science 2023-09-12 Fotios Lygerakis , Elmar Rueckert

Variational Autoencoders (VAEs) are a powerful framework for learning latent representations of reduced dimensionality, while Neural ODEs excel in learning transient system dynamics. This work combines the strengths of both to generate fast…

Machine Learning · Computer Science 2025-02-27 Julius Aka , Johannes Brunnemann , Jörg Eiden , Arne Speerforck , Lars Mikelsons

Integrated artificial intelligence (AI) and communication has been recognized as a key pillar of 6G and beyond networks. In line with AI-native 6G vision, explainability and robustness in AI-driven systems are critical for establishing…

Signal Processing · Electrical Eng. & Systems 2025-01-31 Nasir Khan , Asmaa Abdallah , Abdulkadir Celik , Ahmed M. Eltawil , Sinem Coleri

Building on the success of deep learning, Generative Adversarial Networks (GANs) provide a modern approach to learn a probability distribution from observed samples. GANs are often formulated as a zero-sum game between two sets of…

Machine Learning · Computer Science 2020-09-28 Pirazh Khorramshahi , Hossein Souri , Rama Chellappa , Soheil Feizi

Generative modeling of 3D brain MRIs presents difficulties in achieving high visual fidelity while ensuring sufficient coverage of the data distribution. In this work, we propose to address this challenge with composable, multiscale…

Image and Video Processing · Electrical Eng. & Systems 2023-01-12 Jaivardhan Kapoor , Jakob H. Macke , Christian F. Baumgartner

Deep generative models are a class of techniques that train deep neural networks to model the distribution of training samples. Research has fragmented into various interconnected approaches, each of which make trade-offs including…

Machine Learning · Computer Science 2022-03-29 Sam Bond-Taylor , Adam Leach , Yang Long , Chris G. Willcocks

Variational Autoencoders (VAE) are probabilistic deep generative models underpinned by elegant theory, stable training processes, and meaningful manifold representations. However, they produce blurry images due to a lack of explicit…

Computer Vision and Pattern Recognition · Computer Science 2019-11-15 Prashnna K Gyawali , Rudra Saha , Linwei Wang , VSR Veeravasarapu , Maneesh Singh

In spite of remarkable progress in deep latent variable generative modeling, training still remains a challenge due to a combination of optimization and generalization issues. In practice, a combination of heuristic algorithms (such as…

Machine Learning · Statistics 2018-10-02 Danilo Jimenez Rezende , Fabio Viola

Systematic characterization of biological effects to genetic perturbation is essential to the application of molecular biology and biomedicine. However, the experimental exhaustion of genetic perturbations on the genome-wide scale is…

Genomics · Quantitative Biology 2024-03-06 Lingmin Zhan , Yuanyuan Zhang , Yingdong Wang , Aoyi Wang , Caiping Cheng , Jinzhong Zhao , Wuxia Zhang , Peng Lia , Jianxin Chen

With the mass construction of Gen III nuclear reactors, it is a popular trend to use deep learning (DL) techniques for fast and effective diagnosis of possible accidents. To overcome the common problems of previous work in diagnosing…

Signal Processing · Electrical Eng. & Systems 2022-09-26 Chengyuan Li , Zhifang Qiu , Zhangrui Yan , Meifu Li

Deep probabilistic generative models have achieved incredible success in many fields of application. Among such models, variational autoencoders (VAEs) have proved their ability in modeling a generative process by learning a latent…

Machine Learning · Computer Science 2022-12-16 Eleonora Grassucci , Danilo Comminiello , Aurelio Uncini

The variational autoencoder (VAE) is a simple and efficient generative artificial intelligence method for modeling complex probability distributions of various types of data, such as images and texts. However, it suffers some main…

Machine Learning · Computer Science 2025-02-14 Xi Chen , Shaofan Li

Predicting how genetic perturbations change cellular state is a core problem for building controllable models of gene regulation. Perturbations targeting the same gene can produce different transcriptional responses depending on their…

Genomics · Quantitative Biology 2026-02-12 Boyang Fu , George Dasoulas , Sameer Gabbita , Xiang Lin , Shanghua Gao , Xiaorui Su , Soumya Ghosh , Marinka Zitnik

We present a new category of physics-informed neural networks called physics informed variational embedding generative adversarial network (PI-VEGAN), that effectively tackles the forward, inverse, and mixed problems of stochastic…

Machine Learning · Computer Science 2023-07-24 Ruisong Gao , Yufeng Wang , Min Yang , Chuanjun Chen

With the introduction of the variational autoencoder (VAE), probabilistic latent variable models have received renewed attention as powerful generative models. However, their performance in terms of test likelihood and quality of generated…

Machine Learning · Statistics 2020-01-13 Lars Maaløe , Marco Fraccaro , Valentin Liévin , Ole Winther
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