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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

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

Multimodal Variational Autoencoders (VAEs) represent a promising group of generative models that facilitate the construction of a tractable posterior within the latent space given multiple modalities. Previous studies have shown that as the…

Machine Learning · Computer Science 2024-12-11 Daniel Wesego , Pedram Rooshenas

Given the notably increasing complexity of mathematical models to study realistic systems and their coupling to their environment that constrains their dynamics, both analytical approaches and numerical methods that build on these models,…

Quantum Physics · Physics 2019-11-11 I. Luchnikov , A. Ryzhov , P. -J. C. Stas , S. N. Filippov , H. Ouerdane

Variational autoencoder (VAE) is a deep generative model for unsupervised learning, allowing to encode observations into the meaningful latent space. VAE is prone to catastrophic forgetting when tasks arrive sequentially, and only the data…

Machine Learning · Computer Science 2021-11-04 Anna Kuzina , Evgenii Egorov , Evgeny Burnaev

Data assimilation refers to a set of algorithms designed to compute the optimal estimate of a system's state by refining the prior prediction (known as background states) using observed data. Variational assimilation methods rely on the…

Machine Learning · Computer Science 2024-05-24 Yi Xiao , Qilong Jia , Wei Xue , Lei Bai

We present the new bidirectional variational autoencoder (BVAE) network architecture. The BVAE uses a single neural network both to encode and decode instead of an encoder-decoder network pair. The network encodes in the forward direction…

Machine Learning · Computer Science 2025-05-28 Bart Kosko , Olaoluwa Adigun

A novel framework for Bayesian structural model updating is presented in this study. The proposed method utilizes the surrogate unimodal encoders of a multimodal variational autoencoder (VAE). The method facilitates an approximation of the…

Machine Learning · Statistics 2024-06-21 Tatsuya Itoi , Kazuho Amishiki , Sangwon Lee , Taro Yaoyama

Semi-supervised learning is attracting increasing attention due to the fact that datasets of many domains lack enough labeled data. Variational Auto-Encoder (VAE), in particular, has demonstrated the benefits of semi-supervised learning.…

Machine Learning · Computer Science 2018-12-04 Yang Li , Quan Pan , Suhang Wang , Haiyun Peng , Tao Yang , Erik Cambria

Recent studies have shown that autoencoder-based models can achieve superior performance on anomaly detection tasks due to their excellent ability to fit complex data in an unsupervised manner. In this work, we propose a novel…

Machine Learning · Computer Science 2022-09-20 Wenkai Li , Wenbo Hu , Ting Chen , Ning Chen , Cheng Feng

Stochastic variational inference and its derivatives in the form of variational autoencoders enjoy the ability to perform Bayesian inference on large datasets in an efficient manner. However, performing inference with a VAE requires a…

Neural and Evolutionary Computing · Computer Science 2023-08-17 Ahmad Ayaz Amin

Recent advances in scanning tunneling and transmission electron microscopies (STM and STEM) have allowed routine generation of large volumes of imaging data containing information on the structure and functionality of materials. The…

Disordered Systems and Neural Networks · Physics 2021-06-24 Maxim Ziatdinov , Chun Yin Wong , Sergei V. Kalinin

The Variational Autoencoder (VAE) is a powerful framework for learning probabilistic latent variable generative models. However, typical assumptions on the approximate posterior distribution of the encoder and/or the prior, seriously…

Machine Learning · Computer Science 2020-07-13 Ifigeneia Apostolopoulou , Elan Rosenfeld , Artur Dubrawski

Variational Autoencoders (VAEs) are powerful in data representation inference, but it cannot learn relations between features with its vanilla form and common variations. The ability to capture relations within data can provide the much…

Machine Learning · Computer Science 2020-07-23 Chen Wang , Chengyuan Deng , Vladimir Ivanov

Variational Bayes (VB) has been used to facilitate the calculation of the posterior distribution in the context of Bayesian inference of the parameters of nonlinear models from data. Previously an analytical formulation of VB has been…

Signal Processing · Electrical Eng. & Systems 2020-07-06 Michael A. Chappell , Martin S. Craig , Mark W. Woolrich

Using a discriminative representation obtained by supervised deep learning methods showed promising results on diverse Content-Based Image Retrieval (CBIR) problems. However, existing methods exploiting labels during training try to…

Computer Vision and Pattern Recognition · Computer Science 2023-04-25 Mehdi Rafiei , Alexandros Iosifidis

While most frontier models still use deterministic frequency-based tokenization algorithms such as byte-pair encoding (BPE), there has been significant recent work to design learned neural tokenizers. However, these schemes generally add to…

Machine Learning · Computer Science 2025-12-29 Theo Datta , Kayla Huang , Sham Kakade , David Brandfonbrener

Variational autoencoders are powerful algorithms for identifying dominant latent structure in a single dataset. In many applications, however, we are interested in modeling latent structure and variation that are enriched in a target…

Machine Learning · Computer Science 2019-02-14 Abubakar Abid , James Zou

Vector quantization (VQ) is a technique to deterministically learn features with discrete codebook representations. It is commonly performed with a variational autoencoding model, VQ-VAE, which can be further extended to hierarchical…

Variational autoencoders (VAEs) are fundamental for generative modeling and image reconstruction, yet their performance often struggles to maintain high fidelity in reconstructions. This study introduces a hybrid model, quantum variational…

Computer Vision and Pattern Recognition · Computer Science 2025-03-10 Farina Riaz , Fakhar Zaman , Hajime Suzuki , Sharif Abuadbba , David Nguyen
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