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Variational autoencoders (VAEs) have been used extensively to discover low-dimensional latent factors governing neural activity and animal behavior. However, without careful model selection, the uncovered latent factors may reflect noise in…

Machine Learning · Computer Science 2023-12-13 Julia Huiming Wang , Dexter Tsin , Tatiana Engel

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

Variational Autoencoders (VAEs) are powerful generative models that have been widely used in various fields, including image and text generation. However, one of the known challenges in using VAEs is the model's sensitivity to its…

Machine Learning · Computer Science 2024-12-31 Gabriela Sejnova , Michal Vavrecka , Karla Stepanova

Graph generation is an extremely important task, as graphs are found throughout different areas of science and engineering. In this work, we focus on the modern equivalent of the Erdos-Renyi random graph model: the graph variational…

Machine Learning · Computer Science 2020-02-19 Daniel Flam-Shepherd , Tony Wu , Alan Aspuru-Guzik

Symbolic regression is the process of identifying mathematical expressions that fit observed output from a black-box process. It is a discrete optimization problem generally believed to be NP-hard. Prior approaches to solving the problem…

Neural and Evolutionary Computing · Computer Science 2021-11-19 T. Nathan Mundhenk , Mikel Landajuela , Ruben Glatt , Claudio P. Santiago , Daniel M. Faissol , Brenden K. Petersen

This paper introduces a new interpretation of the Variational Autoencoder framework by taking a fully geometric point of view. We argue that vanilla VAE models unveil naturally a Riemannian structure in their latent space and that taking…

Machine Learning · Statistics 2022-11-04 Clément Chadebec , Stéphanie Allassonnière

Successfully training Variational Autoencoders (VAEs) with a hierarchy of discrete latent variables remains an area of active research. Vector-Quantised VAEs are a powerful approach to discrete VAEs, but naive hierarchical extensions can be…

Machine Learning · Statistics 2021-02-05 Matthew Willetts , Xenia Miscouridou , Stephen Roberts , Chris Holmes

Integrating compositional and symbolic properties into current distributional semantic spaces can enhance the interpretability, controllability, compositionality, and generalisation capabilities of Transformer-based auto-regressive language…

Computation and Language · Computer Science 2026-04-16 Yingji Zhang , Danilo S. Carvalho , André Freitas

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

Based on the traditional VAE, a novel neural network model is presented, with the latest molecular representation, SELFIES, to improve the effect of generating new molecules. In this model, multi-layer convolutional network and Fisher…

Biomolecules · Quantitative Biology 2023-05-03 Li Kai , Li Ning , Zhang Wei , Gao Ming

Molecular optimization aims to discover novel molecules with desirable properties. Two fundamental challenges are: (i) it is not trivial to generate valid molecules in a controllable way due to hard chemical constraints such as the valency…

Machine Learning · Computer Science 2019-04-24 Hiroshi Kajino

Learning a generative model of visual information with sparse and compositional features has been a challenge for both theoretical neuroscience and machine learning communities. Sparse coding models have achieved great success in explaining…

Machine Learning · Computer Science 2021-01-26 Linxing Preston Jiang , Luciano de la Iglesia

Generating paraphrases, that is, different variations of a sentence conveying the same meaning, is an important yet challenging task in NLP. Automatically generating paraphrases has its utility in many NLP tasks like question answering,…

Computation and Language · Computer Science 2018-11-13 Milan Aggarwal , Nupur Kumari , Ayush Bansal , Balaji Krishnamurthy

Generative thermal design for complex geometries is fundamental in many areas of engineering, yet it faces two main challenges: the high computational cost of high-fidelity simulations and the limitations of conventional generative models.…

Machine Learning · Computer Science 2025-09-12 Alicia Tierz , Jad Mounayer , Beatriz Moya , Francisco Chinesta

Deep generative models are increasingly becoming integral parts of the in silico molecule design pipeline and have dual goals of learning the chemical and structural features that render candidate molecules viable while also being flexible…

Biomolecules · Quantitative Biology 2021-06-08 Yair Schiff , Vijil Chenthamarakshan , Karthikeyan Natesan Ramamurthy , Payel Das

Gaussian processes (GPs), implemented through multivariate Gaussian distributions for a finite collection of data, are the most popular approach in small-area spatial statistical modelling. In this context they are used to encode…

Machine Learning · Computer Science 2023-04-11 Elizaveta Semenova , Yidan Xu , Adam Howes , Theo Rashid , Samir Bhatt , Swapnil Mishra , Seth Flaxman

Optimization in the latent space of variational autoencoders is a promising approach to generate high-dimensional discrete objects that maximize an expensive black-box property (e.g., drug-likeness in molecular generation, function…

Machine Learning · Computer Science 2021-07-02 Pascal Notin , José Miguel Hernández-Lobato , Yarin Gal

Recognition of Handwritten Mathematical Expressions (HMEs) is a challenging problem because of the ambiguity and complexity of two-dimensional handwriting. Moreover, the lack of large training data is a serious issue, especially for…

Computer Vision and Pattern Recognition · Computer Science 2019-01-23 Anh Duc Le , Bipin Indurkhya , Masaki Nakagawa

In this paper we explore the effect of architectural choices on learning a Variational Autoencoder (VAE) for text generation. In contrast to the previously introduced VAE model for text where both the encoder and decoder are RNNs, we…

Computation and Language · Computer Science 2017-02-09 Stanislau Semeniuta , Aliaksei Severyn , Erhardt Barth

Measurement of a physical quantity such as light intensity is an integral part of many reconstruction and decision scenarios but can be costly in terms of acquisition time, invasion of or damage to the environment and storage. Data…

Machine Learning · Computer Science 2025-02-26 Catherine F. Higham , Paul Henderson , Roderick Murray-Smith