English
Related papers

Related papers: Enhancing Generative Molecular Design via Uncertai…

200 papers

Variational autoencoders (VAE) are directed generative models that learn factorial latent variables. As noted by Burda et al. (2015), these models exhibit the problem of factor over-pruning where a significant number of stochastic factors…

Machine Learning · Computer Science 2017-08-08 Serena Yeung , Anitha Kannan , Yann Dauphin , Li Fei-Fei

Generative AI models for music and the arts in general are increasingly complex and hard to understand. The field of eXplainable AI (XAI) seeks to make complex and opaque AI models such as neural networks more understandable to people. One…

Sound · Computer Science 2024-02-06 Nick Bryan-Kinns , Bingyuan Zhang , Songyan Zhao , Berker Banar

We propose a topic-guided variational autoencoder (TGVAE) model for text generation. Distinct from existing variational autoencoder (VAE) based approaches, which assume a simple Gaussian prior for the latent code, our model specifies the…

Computation and Language · Computer Science 2019-03-19 Wenlin Wang , Zhe Gan , Hongteng Xu , Ruiyi Zhang , Guoyin Wang , Dinghan Shen , Changyou Chen , Lawrence Carin

Recent advances in generative models, particularly diffusion and auto-regressive models, have revolutionized fields like computer vision and natural language processing. However, their application to structure-based drug design (SBDD)…

Machine Learning · Computer Science 2025-07-29 Yi He , Ailun Wang , Zhi Wang , Yu Liu , Xingyuan Xu , Wen Yan

Variational autoencoders (VAEs) are essential tools in end-to-end representation learning. However, the sequential text generation common pitfall with VAEs is that the model tends to ignore latent variables with a strong auto-regressive…

Machine Learning · Computer Science 2021-02-26 Yang Zhao , Ping Yu , Suchismit Mahapatra , Qinliang Su , Changyou Chen

The variational autoencoder (VAE) is a popular probabilistic generative model. However, one shortcoming of VAEs is that the latent variables cannot be discrete, which makes it difficult to generate data from different modes of a…

Machine Learning · Statistics 2017-11-21 Jay A. Hennig , Akash Umakantha , Ryan C. Williamson

The de novo design of drug molecules is recognized as a time-consuming and costly process, and computational approaches have been applied in each stage of the drug discovery pipeline. Variational autoencoder is one of the computer-aided…

Quantum Physics · Physics 2021-12-24 Junde Li , Swaroop Ghosh

A key advance in learning generative models is the use of amortized inference distributions that are jointly trained with the models. We find that existing training objectives for variational autoencoders can lead to inaccurate amortized…

Machine Learning · Computer Science 2018-05-31 Shengjia Zhao , Jiaming Song , Stefano Ermon

Motivation: Predicting cellular responses to genetic perturbations is essential for understanding biological systems and developing targeted therapeutic strategies. While variational autoencoders (VAEs) have shown promise in modeling…

Machine Learning · Computer Science 2025-02-03 Seungheun Baek , Soyon Park , Yan Ting Chok , Mogan Gim , Jaewoo Kang

Learning generative models that span multiple data modalities, such as vision and language, is often motivated by the desire to learn more useful, generalisable representations that faithfully capture common underlying factors between the…

Machine Learning · Statistics 2019-11-11 Yuge Shi , N. Siddharth , Brooks Paige , Philip H. S. Torr

Deep generative models are stochastic neural networks capable of learning the distribution of data so as to generate new samples. Conditional Variational Autoencoder (CVAE) is a powerful deep generative model aiming at maximizing the lower…

Computer Vision and Pattern Recognition · Computer Science 2019-03-12 Shima Kamyab , Rasool Sabzi , Zohreh Azimifar

The variational auto-encoder (VAE) is a deep latent variable model that has two neural networks in an autoencoder-like architecture; one of them parameterizes the model's likelihood. Fitting its parameters via maximum likelihood (ML) is…

Machine Learning · Computer Science 2021-06-03 Francisco J. R. Ruiz , Michalis K. Titsias , Taylan Cemgil , Arnaud Doucet

In this paper, we explore the use of a variational autoencoder (VAE), a deep generative model, to compress and generate images of dark matter density fields from $\Lambda$CDM like cosmological simulations. The VAE learns a compact,…

Cosmology and Nongalactic Astrophysics · Physics 2025-07-25 Jazhiel Chacón-Lavanderos , Isidro Gómez-Vargas , Ricardo Menchaca-Mendez , J. Alberto Vázquez

Variational auto-encoders (VAEs) provide an attractive solution to image generation problem. However, they tend to produce blurred and over-smoothed images due to their dependence on pixel-wise reconstruction loss. This paper introduces a…

Computer Vision and Pattern Recognition · Computer Science 2018-04-30 Salman H. Khan , Munawar Hayat , Nick Barnes

To achieve high-levels of autonomy, modern robots require the ability to detect and recover from anomalies and failures with minimal human supervision. Multi-modal sensor signals could provide more information for such anomaly detection…

Robotics · Computer Science 2020-12-17 Tianchen Ji , Sri Theja Vuppala , Girish Chowdhary , Katherine Driggs-Campbell

Variational auto-encoders (VAEs) are a popular and powerful deep generative model. Previous works on VAEs have assumed a factorized likelihood model, whereby the output uncertainty of each pixel is assumed to be independent. This…

Machine Learning · Statistics 2026-05-14 Gara Dorta , Sara Vicente , Lourdes Agapito , Neill D. F. Campbell , Ivor Simpson

Learning from an imbalanced distribution presents a major challenge in predictive modeling, as it generally leads to a reduction in the performance of standard algorithms. Various approaches exist to address this issue, but many of them…

Machine Learning · Computer Science 2024-12-11 Samuel Stocksieker , Denys Pommeret , Arthur Charpentier

Variational AutoEncoders (VAEs) are powerful generative models that merge elements from statistics and information theory with the flexibility offered by deep neural networks to efficiently solve the generation problem for high dimensional…

Machine Learning · Computer Science 2021-03-02 A. Asperti , D. Evangelista , E. Loli Piccolomini

We propose Unbalanced GANs, which pre-trains the generator of the generative adversarial network (GAN) using variational autoencoder (VAE). We guarantee the stable training of the generator by preventing the faster convergence of the…

Machine Learning · Computer Science 2020-02-07 Hyungrok Ham , Tae Joon Jun , Daeyoung Kim

Recent advances have shown that GP priors, or their finite realisations, can be encoded using deep generative models such as variational autoencoders (VAEs). These learned generators can serve as drop-in replacements for the original priors…

Machine Learning · Statistics 2023-11-13 Elizaveta Semenova , Prakhar Verma , Max Cairney-Leeming , Arno Solin , Samir Bhatt , Seth Flaxman