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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

The ability to accurately model random fields plays a critical role in science and engineering for problems involving uncertain, spatially-varying quantities such as heterogeneous material properties and turbulent flows. Deep generative…

A variational autoencoder (VAE) is a probabilistic machine learning framework for posterior inference that projects an input set of high-dimensional data to a lower-dimensional, latent space. The latent space learned with a VAE offers…

Machine Learning · Computer Science 2022-11-16 Rafael Pastrana

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

Sequence-to-sequence (Seq2seq) models have played an important role in the recent success of various natural language processing methods, such as machine translation, text summarization, and speech recognition. However, current Seq2seq…

Computation and Language · Computer Science 2018-06-05 Myeongjun Jang , Seungwan Seo , Pilsung Kang

We introduce a novel variational autoencoder (VAE) architecture that can generate realistic and diverse high energy physics events. The model we propose utilizes several techniques from VAE literature in order to simulate high fidelity jet…

High Energy Physics - Phenomenology · Physics 2020-09-11 Kosei Dohi

Despite advances in generative methods, accurately modeling the distribution of graphs remains a challenging task primarily because of the absence of predefined or inherent unique graph representation. Two main strategies have emerged to…

Machine Learning · Computer Science 2024-01-31 Yoann Boget , Magda Gregorova , Alexandros Kalousis

Deep generative models have been enjoying success in modeling continuous data. However it remains challenging to capture the representations for discrete structures with formal grammars and semantics, e.g., computer programs and molecular…

Machine Learning · Computer Science 2018-02-27 Hanjun Dai , Yingtao Tian , Bo Dai , Steven Skiena , Le Song

Learning from heterogeneous data poses challenges such as combining data from various sources and of different types. Meanwhile, heterogeneous data are often associated with missingness in real-world applications due to heterogeneity and…

Machine Learning · Computer Science 2021-02-26 Yu Gong , Hossein Hajimirsadeghi , Jiawei He , Thibaut Durand , Greg Mori

Variational autoencoders are among the most popular methods for distilling low-dimensional structure from high-dimensional data, making them increasingly valuable as tools for data exploration and scientific discovery. However, unlike…

Machine Learning · Computer Science 2022-01-17 Miles Martinez , John Pearson

One major challenge of disentanglement learning with variational autoencoders is the trade-off between disentanglement and reconstruction fidelity. Previous studies, which increase the information bottleneck during training, tend to lose…

Machine Learning · Computer Science 2023-10-05 Jiantao Wu , Shentong Mo , Xiang Yang , Muhammad Awais , Sara Atito , Xingshen Zhang , Lin Wang , Xiang Yang

Symbolic regression refers to the task of finding a closed-form mathematical expression to fit a set of data points. Genetic programming based techniques are the most common algorithms used to tackle this problem, but recently,…

Machine Learning · Computer Science 2025-10-10 Ryan T. Tymkow , Benjamin D. Schnapp , Mojtaba Valipour , Ali Ghodshi

Machine learning models have become firmly established across all scientific fields. Extracting features from data and making inferences based on them with neural network models often yields high accuracy; however, this approach has several…

Machine Learning · Computer Science 2026-01-13 Mikhail Lazarev , Andrey Ustyuzhanin

An implicit goal in works on deep generative models is that such models should be able to generate novel examples that were not previously seen in the training data. In this paper, we investigate to what extent this property holds for…

Machine Learning · Computer Science 2018-12-27 Alican Bozkurt , Babak Esmaeili , Dana H. Brooks , Jennifer G. Dy , Jan-Willem van de Meent

We develop the sparse VAE for unsupervised representation learning on high-dimensional data. The sparse VAE learns a set of latent factors (representations) which summarize the associations in the observed data features. The underlying…

Machine Learning · Statistics 2025-04-16 Gemma E. Moran , Dhanya Sridhar , Yixin Wang , David M. Blei

An ability to model a generative process and learn a latent representation for speech in an unsupervised fashion will be crucial to process vast quantities of unlabelled speech data. Recently, deep probabilistic generative models such as…

Computation and Language · Computer Science 2017-09-25 Wei-Ning Hsu , Yu Zhang , James Glass

The recently developed variational autoencoders (VAEs) have proved to be an effective confluence of the rich representational power of neural networks with Bayesian methods. However, most work on VAEs use a rather simple prior over the…

Machine Learning · Computer Science 2017-08-29 Prasoon Goyal , Zhiting Hu , Xiaodan Liang , Chenyu Wang , Eric Xing

A few-shot generative model should be able to generate data from a novel distribution by only observing a limited set of examples. In few-shot learning the model is trained on data from many sets from distributions sharing some underlying…

Machine Learning · Computer Science 2022-07-05 Giorgio Giannone , Ole Winther

Diffusion probabilistic models (DPMs) have achieved remarkable quality in image generation that rivals GANs'. But unlike GANs, DPMs use a set of latent variables that lack semantic meaning and cannot serve as a useful representation for…

Computer Vision and Pattern Recognition · Computer Science 2022-03-14 Konpat Preechakul , Nattanat Chatthee , Suttisak Wizadwongsa , Supasorn Suwajanakorn

Given an image dataset, we are often interested in finding data generative factors that encode semantic content independently from pose variables such as rotation and translation. However, current disentanglement approaches do not impose…

Computer Vision and Pattern Recognition · Computer Science 2019-09-27 Tristan Bepler , Ellen D. Zhong , Kotaro Kelley , Edward Brignole , Bonnie Berger