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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

Generative models of graph structure have applications in biology and social sciences. The state of the art is GraphRNN, which decomposes the graph generation process into a series of sequential steps. While effective for modest sizes, it…

Machine Learning · Computer Science 2019-10-18 Tony Duan , Juho Lee

We propose a novel Bayesian nonparametric method to learn translation-invariant relationships on non-Euclidean domains. The resulting graph convolutional Gaussian processes can be applied to problems in machine learning for which the input…

Machine Learning · Computer Science 2019-05-15 Ian Walker , Ben Glocker

Convolutional neural networks (CNN) have had unprecedented success in medical imaging and, in particular, in medical image segmentation. However, despite the fact that segmentation results are closer than ever to the inter-expert…

Computer Vision and Pattern Recognition · Computer Science 2020-06-17 Nathan Painchaud , Youssef Skandarani , Thierry Judge , Olivier Bernard , Alain Lalande , Pierre-Marc Jodoin

By composing graphical models with deep learning architectures, we learn generative models with the strengths of both frameworks. The structured variational autoencoder (SVAE) inherits structure and interpretability from graphical models,…

Machine Learning · Computer Science 2023-11-15 Harry Bendekgey , Gabriel Hope , Erik B. Sudderth

Generative models for graph data are an important research topic in machine learning. Graph data comprise two levels that are typically analyzed separately: node-level properties such as the existence of a link between a pair of nodes, and…

Machine Learning · Computer Science 2023-01-18 Kiarash Zahirnia , Oliver Schulte , Parmis Naddaf , Ke Li

Longitudinal datasets measured repeatedly over time from individual subjects, arise in many biomedical, psychological, social, and other studies. A common approach to analyse high-dimensional data that contains missing values is to learn a…

Machine Learning · Statistics 2021-04-21 Siddharth Ramchandran , Gleb Tikhonov , Kalle Kujanpää , Miika Koskinen , Harri Lähdesmäki

Bayesian optimization (BO) is a powerful framework for optimizing expensive black-box objectives, yet extending it to graph-structured domains remains challenging due to the discrete and combinatorial nature of graphs. Existing approaches…

Machine Learning · Computer Science 2025-11-12 Shu Hong , Yongsheng Mei , Mahdi Imani , Tian Lan

Current deep learning-based manifold learning algorithms such as the variational autoencoder (VAE) require fully sampled data to learn the probability density of real-world datasets. Once learned, the density can be used for a variety of…

Image and Video Processing · Electrical Eng. & Systems 2021-12-13 Qing Zou , Abdul Haseeb Ahmed , Prashant Nagpal , Sarv Priya , Rolf Schulte , Mathews Jacob

Deep probabilistic generative models have achieved incredible success in many fields of application. Among such models, variational autoencoders (VAEs) have proved their ability in modeling a generative process by learning a latent…

Machine Learning · Computer Science 2022-12-16 Eleonora Grassucci , Danilo Comminiello , Aurelio Uncini

Despite the suitability of graphs for capturing the relational structures inherent in architectural layout designs, there is a notable dearth of research on interpreting architectural design space using graph-based representation learning…

Machine Learning · Computer Science 2024-06-26 Jielin Chen , Rudi Stouffs

We develop Riemannian approaches to variational autoencoders (VAEs) for PDE-type ambient data with regularizing geometric latent dynamics, which we refer to as VAE-DLM, or VAEs with dynamical latent manifolds. We redevelop the VAE framework…

Machine Learning · Computer Science 2026-01-21 Andrew Gracyk

Variational autoencoders (VAE) represent a popular, flexible form of deep generative model that can be stochastically fit to samples from a given random process using an information-theoretic variational bound on the true underlying…

Machine Learning · Computer Science 2019-10-08 Bin Dai , Yu Wang , John Aston , Gang Hua , David Wipf

Variational autoencoder (VAE) is one of the most common techniques in the field of medical image generation, where this architecture has shown advanced researchers in recent years and has developed into various architectures. VAE has…

Machine Learning · Computer Science 2024-11-13 Khadija Rais , Mohamed Amroune , Abdelmadjid Benmachiche , Mohamed Yassine Haouam

A wide variety of real-world data, such as sea measurements, e.g., temperatures collected by distributed sensors and multiple unmanned aerial vehicles (UAV) trajectories, can be naturally represented as graphs, often exhibiting…

Machine Learning · Computer Science 2025-11-11 Sivaram Krishnan , Jinho Choi , Jihong Park

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

While a wide range of interpretable generative procedures for graphs exist, matching observed graph topologies with such procedures and choices for its parameters remains an open problem. Devising generative models that closely reproduce…

Machine Learning · Computer Science 2019-11-11 Niklas Stoehr , Emine Yilmaz , Marc Brockschmidt , Jan Stuehmer

In this paper, we explore the use of a variational autoencoder (VAE), a deep generative model, to compress and generate images of dark matter density fields from $\Lambda$CDM like cosmological simulations. The VAE learns a compact,…

Cosmology and Nongalactic Astrophysics · Physics 2025-07-25 Jazhiel Chacón-Lavanderos , Isidro Gómez-Vargas , Ricardo Menchaca-Mendez , J. Alberto Vázquez

In this paper, we present a general framework to scale graph autoencoders (AE) and graph variational autoencoders (VAE). This framework leverages graph degeneracy concepts to train models only from a dense subset of nodes instead of using…

Machine Learning · Computer Science 2022-06-22 Guillaume Salha , Romain Hennequin , Viet Anh Tran , Michalis Vazirgiannis

We propose an extension of the Contextual Graph Markov Model, a deep and probabilistic machine learning model for graphs, to model the distribution of edge features. Our approach is architectural, as we introduce an additional Bayesian…

Machine Learning · Computer Science 2023-08-21 Daniele Atzeni , Federico Errica , Davide Bacciu , Alessio Micheli