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In recent years, deep generative models have been successfully adopted for various molecular design tasks, particularly in the life and material sciences. A critical challenge for pre-trained generative molecular design (GMD) models is to…

Machine Learning · Computer Science 2024-06-03 A N M Nafiz Abeer , Sanket Jantre , Nathan M Urban , Byung-Jun Yoon

Deep generative models have been wildly successful at learning coherent latent representations for continuous data such as video and audio. However, generative modeling of discrete data such as arithmetic expressions and molecular…

Machine Learning · Statistics 2017-03-07 Matt J. Kusner , Brooks Paige , José Miguel Hernández-Lobato

Generative modeling aims to generate new data samples that resemble a given dataset, with diffusion models recently becoming the most popular generative model. One of the main challenges of diffusion models is solving the problem in the…

Numerical Analysis · Mathematics 2025-10-08 Wonjun Lee , Riley C. W. O'Neill , Dongmian Zou , Jeff Calder , Gilad Lerman

We present a syntax-infused variational autoencoder (SIVAE), that integrates sentences with their syntactic trees to improve the grammar of generated sentences. Distinct from existing VAE-based text generative models, SIVAE contains two…

Machine Learning · Statistics 2019-06-11 Xinyuan Zhang , Yi Yang , Siyang Yuan , Dinghan Shen , Lawrence Carin

Traditional computational authorship attribution describes a classification task in a closed-set scenario. Given a finite set of candidate authors and corresponding labeled texts, the objective is to determine which of the authors has…

Machine Learning · Computer Science 2020-05-29 Benedikt Boenninghoff , Steffen Zeiler , Robert M. Nickel , Dorothea Kolossa

Multiple modalities often co-occur when describing natural phenomena. Learning a joint representation of these modalities should yield deeper and more useful representations. Previous generative approaches to multi-modal input either do not…

Machine Learning · Computer Science 2018-11-13 Mike Wu , Noah Goodman

Deep learning on graphs has become a popular research topic with many applications. However, past work has concentrated on learning graph embedding tasks, which is in contrast with advances in generative models for images and text. Is it…

Machine Learning · Computer Science 2018-02-13 Martin Simonovsky , Nikos Komodakis

Hierarchical Bayesian methods can unify many related tasks (e.g. k-shot classification, conditional and unconditional generation) as inference within a single generative model. However, when this generative model is expressed as a powerful…

Machine Learning · Computer Science 2018-07-25 Luke B. Hewitt , Maxwell I. Nye , Andreea Gane , Tommi Jaakkola , Joshua B. Tenenbaum

Image generation has advanced rapidly over the past decade, yet the literature seems fragmented across different models and application domains. This paper aims to offer a comprehensive survey of breakthrough image generation models,…

Computer Vision and Pattern Recognition · Computer Science 2026-03-31 Rouzbeh Shirvani

Recent research has shown the advantages of using autoencoders based on deep neural networks for collaborative filtering. In particular, the recently proposed Mult-VAE model, which used the multinomial likelihood variational autoencoders,…

Information Retrieval · Computer Science 2019-12-25 Ilya Shenbin , Anton Alekseev , Elena Tutubalina , Valentin Malykh , Sergey I. Nikolenko

Variational autoencoders (VAEs) are widely used deep generative models capable of learning unsupervised latent representations of data. Such representations are often difficult to interpret or control. We consider the problem of…

Machine Learning · Computer Science 2018-12-18 Jack Klys , Jake Snell , Richard Zemel

We introduce a novel generative autoencoder network model that learns to encode and reconstruct images with high quality and resolution, and supports smooth random sampling from the latent space of the encoder. Generative adversarial…

Machine Learning · Computer Science 2018-10-10 Ari Heljakka , Arno Solin , Juho Kannala

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

The vector quantization is a widely used method to map continuous representation to discrete space and has important application in tokenization for generative mode, bottlenecking information and many other tasks in machine learning. Vector…

Machine Learning · Computer Science 2024-10-15 Mingyuan Yan , Jiawei Wu , Rushi Shah , Dianbo Liu

While unsupervised variational autoencoders (VAE) have become a powerful tool in neuroimage analysis, their application to supervised learning is under-explored. We aim to close this gap by proposing a unified probabilistic model for…

Machine Learning · Computer Science 2019-07-15 Qingyu Zhao , Ehsan Adeli , Nicolas Honnorat , Tuo Leng , Kilian M. Pohl

Generative modelling of multi-user datasets has become prominent in science and engineering. Generating a data point for a given user requires employing user information, and conventional generative models, including variational…

Machine Learning · Computer Science 2026-05-19 Kutay Bölat , Simon Tindemans

To address the lack of public power system data for machine learning research in energy networks, we investigate the use of variational graph autoencoders (VGAEs) for synthetic distribution grid generation. Using two open-source datasets,…

Machine Learning · Computer Science 2025-12-02 Syed Zain Abbas , Ehimare Okoyomon

The variational autoencoder (VAE) framework is a popular option for training unsupervised generative models, featuring ease of training and latent representation of data. The objective function of VAE does not guarantee to achieve the…

Machine Learning · Computer Science 2019-04-25 Jason Chou

Variational autoencoders (VAEs) are deep probabilistic models that are used in scientific applications. Many works try to mitigate this problem from the probabilistic methods perspective by new inference techniques or training procedures.…

Machine Learning · Statistics 2024-12-24 Tim Z. Xiao , Johannes Zenn , Robert Bamler

Variational Autoencoders (VAE) are popular generative models used to sample from complex data distributions. Despite their empirical success in various machine learning tasks, significant gaps remain in understanding their theoretical…

Machine Learning · Statistics 2025-12-23 Sobihan Surendran , Antoine Godichon-Baggioni , Sylvain Le Corff
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