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Deep generative models have achieved impressive success in recent years. Generative Adversarial Networks (GANs) and Variational Autoencoders (VAEs), as emerging families for generative model learning, have largely been considered as two…

Machine Learning · Computer Science 2018-07-12 Zhiting Hu , Zichao Yang , Ruslan Salakhutdinov , Eric P. Xing

Graphs are ubiquitous data structures for representing interactions between entities. With an emphasis on the use of graphs to represent chemical molecules, we explore the task of learning to generate graphs that conform to a distribution…

Machine Learning · Computer Science 2019-03-08 Qi Liu , Miltiadis Allamanis , Marc Brockschmidt , Alexander L. Gaunt

Although variational autoencoders (VAEs) represent a widely influential deep generative model, many aspects of the underlying energy function remain poorly understood. In particular, it is commonly believed that Gaussian encoder/decoder…

Machine Learning · Computer Science 2019-10-31 Bin Dai , David Wipf

Link prediction is one of the key problems for graph-structured data. With the advancement of graph neural networks, graph autoencoders (GAEs) and variational graph autoencoders (VGAEs) have been proposed to learn graph embeddings in an…

Machine Learning · Computer Science 2021-09-14 Seong Jin Ahn , Myoung Ho Kim

Learning the structure of dependence relations between variables is a pervasive issue in the statistical literature. A directed acyclic graph (DAG) can represent a set of conditional independences, but different DAGs may encode the same set…

Methodology · Statistics 2021-02-15 Federico Castelletti , Stefano Peluso

Recent work in synthetic data generation in the time-series domain has focused on the use of Generative Adversarial Networks. We propose a novel architecture for synthetically generating time-series data with the use of Variational…

Machine Learning · Computer Science 2021-12-08 Abhyuday Desai , Cynthia Freeman , Zuhui Wang , Ian Beaver

This thesis is a proof of concept for the potential of Variational Auto-Encoder (VAE) on representation learning of real-world Knowledge Graphs (KG). Inspired by successful approaches to the generation of molecular graphs, we evaluate the…

Machine Learning · Computer Science 2021-01-25 Florian Wolf

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

Graph representation learning is a fundamental research theme and can be generalized to benefit multiple downstream tasks from the node and link levels to the higher graph level. In practice, it is desirable to develop task-agnostic general…

Machine Learning · Computer Science 2023-12-12 Hanxuan Yang , Qingchao Kong , Wenji Mao

We introduce a novel masked graph autoencoder (MGAE) framework to perform effective learning on graph structure data. Taking insights from self-supervised learning, we randomly mask a large proportion of edges and try to reconstruct these…

Machine Learning · Computer Science 2022-01-10 Qiaoyu Tan , Ninghao Liu , Xiao Huang , Rui Chen , Soo-Hyun Choi , Xia Hu

Recent successes in image generation, model-based reinforcement learning, and text-to-image generation have demonstrated the empirical advantages of discrete latent representations, although the reasons behind their benefits remain unclear.…

Machine Learning · Computer Science 2023-07-27 David Friede , Christian Reimers , Heiner Stuckenschmidt , Mathias Niepert

Directed acyclic graph (DAG) tasks are currently adopted in the real-time domain to model complex applications from the automotive, avionics, and industrial domains that implement their functionalities through chains of intercommunicating…

Machine Learning · Computer Science 2024-01-12 Binqi Sun , Mirco Theile , Ziyuan Qin , Daniele Bernardini , Debayan Roy , Andrea Bastoni , Marco Caccamo

Deep latent variable models, trained using variational autoencoders or generative adversarial networks, are now a key technique for representation learning of continuous structures. However, applying similar methods to discrete structures,…

Machine Learning · Computer Science 2018-07-02 Jake Zhao , Yoon Kim , Kelly Zhang , Alexander M. Rush , Yann LeCun

We introduce a Deep Kernel Learning Variational Autoencoder (VAE-DKL) framework that integrates the generative power of a Variational Autoencoder (VAE) with the predictive nature of Deep Kernel Learning (DKL). The VAE learns a latent…

Machine Learning · Computer Science 2025-03-06 Boris N. Slautin , Utkarsh Pratiush , Doru C. Lupascu , Maxim A. Ziatdinov , Sergei V. Kalinin

Deep generative models have been used in recent years to learn coherent latent representations in order to synthesize high-quality images. In this work, we propose a neural network to learn a generative model for sampling consistent indoor…

Computer Vision and Pattern Recognition · Computer Science 2020-08-24 Pulak Purkait , Christopher Zach , Ian Reid

Recently, there has been great success in applying deep neural networks on graph structured data. Most work, however, focuses on either node- or graph-level supervised learning, such as node, link or graph classification or node-level…

Machine Learning · Computer Science 2021-12-15 Robin Winter , Frank Noé , Djork-Arné Clevert

Disease-gene prediction (DGP) refers to the computational challenge of predicting associations between genes and diseases. Effective solutions to the DGP problem have the potential to accelerate the therapeutic development pipeline at early…

Machine Learning · Computer Science 2019-07-15 Vikash Singh , Pietro Lio'

Estimating the structure of Bayesian networks as directed acyclic graphs (DAGs) from observational data is a fundamental challenge, particularly in causal discovery. Bayesian approaches excel by quantifying uncertainty and addressing…

Machine Learning · Computer Science 2026-02-17 Edwin V. Bonilla , Pantelis Elinas , He Zhao , Maurizio Filippone , Vassili Kitsios , Terry O'Kane

Recently continuous relaxations have been proposed in order to learn Directed Acyclic Graphs (DAGs) from data by backpropagation, instead of using combinatorial optimization. However, a number of techniques for fully discrete…

Machine Learning · Computer Science 2022-10-28 Andrew J. Wren , Pasquale Minervini , Luca Franceschi , Valentina Zantedeschi

Leveraging labelled data from multiple domains to enable prediction in another domain without labels is a significant, yet challenging problem. To address this problem, we introduce the framework DAPDAG (\textbf{D}omain \textbf{A}daptation…

Machine Learning · Computer Science 2022-08-03 Yanke Li , Hatt Tobias , Ioana Bica , Mihaela van der Schaar
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