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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…
Exploiting the rapid advances in probabilistic inference, in particular variational Bayes and variational autoencoders (VAEs), for anomaly detection (AD) tasks remains an open research question. Previous works argued that training VAE…
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,…
Recently, machine learning methods have been used to propose molecules with desired properties, which is especially useful for exploring large chemical spaces efficiently. However, these methods rely on fully labelled training data, and are…
Autoregressive models (ARMs) have become the workhorse for sequence generation tasks, since many problems can be modeled as next-token prediction. While there appears to be a natural ordering for text (i.e., left-to-right), for many data…
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…
Graph Neural Networks (GNNs) are important across different domains, such as social network analysis and recommendation systems, due to their ability to model complex relational data. This paper introduces subgraph queries as a new task for…
Representing graph data in a low-dimensional space for subsequent tasks is the purpose of attributed graph embedding. Most existing neural network approaches learn latent representations by minimizing reconstruction errors. Rare work…
We introduce the Kernel-Elastic Autoencoder (KAE), a self-supervised generative model based on the transformer architecture with enhanced performance for molecular design. KAE is formulated based on two novel loss functions: modified…
Graph clustering, aiming to partition nodes of a graph into various groups via an unsupervised approach, is an attractive topic in recent years. To improve the representative ability, several graph auto-encoder (GAE) models, which are based…
Deep generative models have emerged as a powerful tool for learning useful molecular representations and designing novel molecules with desired properties, with applications in drug discovery and material design. However, most existing deep…
It is common practice for chemists to search chemical databases based on substructures of compounds for finding molecules with desired properties. The purpose of de novo molecular generation is to generate instead of search. Existing…
Recommending appropriate tags to items can facilitate content organization, retrieval, consumption and other applications, where hybrid tag recommender systems have been utilized to integrate collaborative information and content…
Corner case scenarios are an essential tool for testing and validating the safety of autonomous vehicles (AVs). As these scenarios are often insufficiently present in naturalistic driving datasets, augmenting the data with synthetic corner…
We present two deep generative models based on Variational Autoencoders to improve the accuracy of drug response prediction. Our models, Perturbation Variational Autoencoder and its semi-supervised extension, Drug Response Variational…
Variational autoencoders (VAEs) have recently been used for unsupervised disentanglement learning of complex density distributions. Numerous variants exist to encourage disentanglement in latent space while improving reconstruction.…
IPv6 scanning has always been a challenge for researchers in the field of network measurement. Due to the considerable IPv6 address space, while recent network speed and computational power have been improved, using a brute-force approach…
Graph autoencoders (GAE) and variational graph autoencoders (VGAE) emerged as two powerful groups of unsupervised node embedding methods, with various applications to graph-based machine learning problems such as link prediction and…
The discovery of new molecules based on the original chemical molecule distributions is of great importance in medicine. The graph transformer, with its advantages of high performance and scalability compared to traditional graph networks,…
We introduce the vine copula autoencoder (VCAE), a flexible generative model for high-dimensional distributions built in a straightforward three-step procedure. First, an autoencoder (AE) compresses the data into a lower dimensional…