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Graph link prediction has long been a central problem in graph representation learning in both network analysis and generative modeling. Recent progress in deep learning has introduced increasingly sophisticated architectures for capturing…

Simultaneously optimizing molecules against multiple therapeutic targets remains a profound challenge in drug discovery, particularly due to sparse rewards and conflicting design constraints. We propose a structured active learning (AL)…

Recent advances in Deep Learning and probabilistic modeling have led to strong improvements in generative models for images. On the one hand, Generative Adversarial Networks (GANs) have contributed a highly effective adversarial learning…

Variational autoencoders (VAEs) are powerful generative models with the salient ability to perform inference. Here, we introduce a quantum variational autoencoder (QVAE): a VAE whose latent generative process is implemented as a quantum…

Problems such as predicting a new shading field (Y) for an image (X) are ambiguous: many very distinct solutions are good. Representing this ambiguity requires building a conditional model P(Y|X) of the prediction, conditioned on the image.…

Most of the data-driven approaches applied to bearing fault diagnosis up to date are established in the supervised learning paradigm, which usually requires a large set of labeled data collected a priori. In practical applications, however,…

Variational Autoencoders (VAEs) are well-established as a principled approach to probabilistic unsupervised learning with neural networks. Typically, an encoder network defines the parameters of a Gaussian distributed latent space from…

The goal of structure-based drug discovery is to find small molecules that bind to a given target protein. Deep learning has been used to generate drug-like molecules with certain cheminformatic properties, but has not yet been applied to…

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…

This work proposes variational autoencoders (VAEs) to predict a vehicle's jerk signals from torque demand in the context of limited real-world drivetrain datasets. We implement both unconditional and conditional VAEs, trained on…

Variational autoencoders (VAEs) provide an effective and simple method for modeling complex distributions. However, training VAEs often requires considerable hyperparameter tuning to determine the optimal amount of information retained by…

We investigate deep generative models that can exchange multiple modalities bi-directionally, e.g., generating images from corresponding texts and vice versa. Recently, some studies handle multiple modalities on deep generative models, such…

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…

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…

In just three years, Variational Autoencoders (VAEs) have emerged as one of the most popular approaches to unsupervised learning of complicated distributions. VAEs are appealing because they are built on top of standard function…

Variational autoencoders (VAEs), that are built upon deep neural networks have emerged as popular generative models in computer vision. Most of the work towards improving variational autoencoders has focused mainly on making the…

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…

Synthetic data generation is of great interest in diverse applications, such as for privacy protection. Deep generative models, such as variational autoencoders (VAEs), are a popular approach for creating such synthetic datasets from…

Variational auto-encoders (VAEs) provide an attractive solution to image generation problem. However, they tend to produce blurred and over-smoothed images due to their dependence on pixel-wise reconstruction loss. This paper introduces a…

The confluence of ultrafast computers with large memory, rapid progress in Machine Learning (ML) algorithms, and the availability of large datasets place multiple engineering fields at the threshold of dramatic progress. However, a unique…