English
Related papers

Related papers: Molecular design method based on novel molecular r…

200 papers

The Variational Autoencoder (VAE) has proven to be an effective model for producing semantically meaningful latent representations for natural data. However, it has thus far seen limited application to sequential data, and, as we…

Machine Learning · Computer Science 2019-11-12 Adam Roberts , Jesse Engel , Colin Raffel , Curtis Hawthorne , Douglas Eck

We propose a new class of physics-informed neural networks, called physics-informed Variational Autoencoder (PI-VAE), to solve stochastic differential equations (SDEs) or inverse problems involving SDEs. In these problems the governing…

Machine Learning · Statistics 2022-11-09 Weiheng Zhong , Hadi Meidani

We present a coupled Variational Auto-Encoder (VAE) method that improves the accuracy and robustness of the probabilistic inferences on represented data. The new method models the dependency between input feature vectors (images) and weighs…

Machine Learning · Computer Science 2025-11-25 Shichen Cao , Jingjing Li , Kenric P. Nelson , Mark A. Kon

Variational autoencoders (VAE) are a powerful and widely-used class of models to learn complex data distributions in an unsupervised fashion. One important limitation of VAEs is the prior assumption that latent sample representations are…

Machine Learning · Computer Science 2018-11-27 Francesco Paolo Casale , Adrian V Dalca , Luca Saglietti , Jennifer Listgarten , Nicolo Fusi

We introduce the vine copula autoencoder (VCAE), a flexible generative model for high-dimensional distributions built in a straightforward three-step procedure. First, an autoencoder (AE) compresses the data into a lower dimensional…

Machine Learning · Statistics 2019-11-28 Natasa Tagasovska , Damien Ackerer , Thibault Vatter

A major challenge in quantum computing is its application to large real-world datasets due to scarce quantum hardware resources. One approach to enabling tractable quantum models for such datasets involves finding low-dimensional…

Quantum Physics · Physics 2025-04-11 Gaoyuan Wang , Jonathan Warrell , Prashant S. Emani , Mark Gerstein

Although unsupervised generative modeling of an image dataset using a Variational AutoEncoder (VAE) has been used to detect anomalous images, or anomalous regions in images, recent works have shown that this method often identifies images…

Computer Vision and Pattern Recognition · Computer Science 2020-08-13 David Dehaene , Pierre Eline

In this paper, we introduce a learning model able to conceals personal information (e.g. gender, age, ethnicity, etc.) from an image, while maintaining any additional information present in the image (e.g. smile, hair-style, brightness).…

Machine Learning · Computer Science 2019-09-23 Moshe Hanukoglu , Nissan Goldberg , Aviv Rovshitz , Amos Azaria

Human cancers present a significant public health challenge and require the discovery of novel drugs through translational research. Transcriptomics profiling data that describes molecular activities in tumors and cancer cell lines are…

Autoencoders have been widely used for dimensional reduction and feature extraction. Various types of autoencoders have been proposed by introducing regularization terms. Most of these regularizations improve representation learning by…

Machine Learning · Computer Science 2020-06-26 Yuzhu Guo , Kang Pan , Simeng Li , Zongchang Han , Kexin Wang , Li Li

Bayesian optimisation in the latent space of a Variational AutoEncoder (VAE) is a powerful framework for optimisation tasks over complex structured domains, such as the space of scientifically interesting molecules. However, existing…

Machine Learning · Computer Science 2025-07-08 Henry B. Moss , Sebastian W. Ober , Tom Diethe

Video Variational Autoencoder (VAE) enables latent video generative modeling by mapping the visual world into compact spatiotemporal latent spaces, improving training efficiency and stability. While existing video VAEs achieve commendable…

Computer Vision and Pattern Recognition · Computer Science 2026-05-05 Yian Zhao , Feng Wang , Qiushan Guo , Chang Liu , Xiangyang Ji , Jian Zhang , Jie Chen

The Variational Autoencoder (VAE) is a powerful deep generative model that is now extensively used to represent high-dimensional complex data via a low-dimensional latent space learned in an unsupervised manner. In the original VAE model,…

Sound · Computer Science 2021-06-15 Xiaoyu Bie , Laurent Girin , Simon Leglaive , Thomas Hueber , Xavier Alameda-Pineda

Autoencoders are effective deep learning models that can function as generative models and learn latent representations for downstream tasks. The use of graph autoencoders - with both encoder and decoder implemented as message passing…

Machine Learning · Computer Science 2025-03-04 Magnus Cunow , Gerrit Großmann

A longstanding computational challenge is the accurate simulation of many-body particle systems. Especially for deriving key characteristics of high-impact but complex systems such as battery materials and high entropy alloys (HEA). While…

Quantum Physics · Physics 2025-11-20 Koen Mesman , Yinglu Tang , Matthias Moller , Boyang Chen , Sebastian Feld

Learning rich data representations from unlabeled data is a key challenge towards applying deep learning algorithms in downstream tasks. Several variants of variational autoencoders (VAEs) have been proposed to learn compact data…

Computer Vision and Pattern Recognition · Computer Science 2024-01-11 Pan Xiao , Peijie Qiu , Sungmin Ha , Abdalla Bani , Shuang Zhou , Aristeidis Sotiras

This paper proposes a new source model and training scheme to improve the accuracy and speed of the multichannel variational autoencoder (MVAE) method. The MVAE method is a recently proposed powerful multichannel source separation method.…

Sound · Computer Science 2022-09-08 Li Li , Hirokazu Kameoka , Shoji Makino

Vision Transformer (ViT) suffers from data scarcity in semi-supervised learning (SSL). To alleviate this issue, inspired by masked autoencoder (MAE), which is a data-efficient self-supervised learner, we propose Semi-MAE, a pure ViT-based…

Computer Vision and Pattern Recognition · Computer Science 2023-01-05 Haojie Yu , Kang Zhao , Xiaoming Xu

A new method for learning variational autoencoders (VAEs) is developed, based on Stein variational gradient descent. A key advantage of this approach is that one need not make parametric assumptions about the form of the encoder…

Machine Learning · Computer Science 2017-11-20 Yunchen Pu , Zhe Gan , Ricardo Henao , Chunyuan Li , Shaobo Han , Lawrence Carin

Innovations like protein diffusion have enabled significant progress in de novo protein design, which is a vital topic in life science. These methods typically depend on protein structure encoders to model residue backbone frames, where…

Computational Engineering, Finance, and Science · Computer Science 2023-10-19 Weian Mao , Muzhi Zhu , Zheng Sun , Shuaike Shen , Lin Yuanbo Wu , Hao Chen , Chunhua Shen