Related papers: Improving Molecule Properties Through 2-Stage VAE
Euclidean geometry has historically been the typical "workhorse" for machine learning applications due to its power and simplicity. However, it has recently been shown that geometric spaces with constant non-zero curvature improve…
Machine learning (ML) models trained to detect physical-layer threats on one optical fiber system often fail catastrophically when applied to a different system, due to variations in operating wavelength, fiber properties, and network…
A new form of variational autoencoder (VAE) is developed, in which the joint distribution of data and codes is considered in two (symmetric) forms: ($i$) from observed data fed through the encoder to yield codes, and ($ii$) from latent…
A variational autoencoder (VAE) is a probabilistic machine learning framework for posterior inference that projects an input set of high-dimensional data to a lower-dimensional, latent space. The latent space learned with a VAE offers…
In this paper, we investigate the problem of string-based molecular generation via variational autoencoders (VAEs) that have served a popular generative approach for various tasks in artificial intelligence. We propose a simple, yet…
Cancer is a heterogeneous disease with diverse molecular etiologies and outcomes. The Cancer Genome Atlas (TCGA) has released a large compendium of over 10,000 tumors with RNA-seq gene expression measurements. Gene expression captures the…
The variational autoencoder (VAE) is a generative model with continuous latent variables where a pair of probabilistic encoder (bottom-up) and decoder (top-down) is jointly learned by stochastic gradient variational Bayes. We first…
As one of the most popular generative models, Variational Autoencoder (VAE) approximates the posterior of latent variables based on amortized variational inference. However, when the decoder network is sufficiently expressive, VAE may lead…
The posterior collapse phenomenon in variational autoencoder (VAE), where the variational posterior distribution closely matches the prior distribution, can hinder the quality of the learned latent variables. As a consequence of posterior…
Variational Autoencoder (VAE) encoders play a critical role in modern generative models, yet their computational cost often motivates the use of knowledge distillation or quantification to obtain compact alternatives. Existing studies…
We introduce a method combining variational autoencoders (VAEs) and deep metric learning to perform Bayesian optimisation (BO) over high-dimensional and structured input spaces. By adapting ideas from deep metric learning, we use label…
We present a coupled Variational Auto-Encoder (VAE) method that improves the accuracy and robustness of the probabilistic inferences on represented data. The new method models the dependency between input feature vectors (images) and weighs…
Often the analysis of time-dependent chemical and biophysical systems produces high-dimensional time-series data for which it can be difficult to interpret which individual features are most salient. While recent work from our group and…
We propose a new efficient way to sample from a Variational Autoencoder in the challenging low sample size setting. This method reveals particularly well suited to perform data augmentation in such a low data regime and is validated across…
Building a scalable machine learning system for unsupervised anomaly detection via representation learning is highly desirable. One of the prevalent methods is using a reconstruction error from variational autoencoder (VAE) via maximizing…
Deep generative models often perform poorly in real-world applications due to the heterogeneity of natural data sets. Heterogeneity arises from data containing different types of features (categorical, ordinal, continuous, etc.) and…
Variational autoencoders (VAEs) are a popular generative model used to approximate distributions. The encoder part of the VAE is used in amortized learning of latent variables, producing a latent representation for data samples. Recently,…
The variational autoencoder (VAE) is a popular deep latent variable model used to analyse high-dimensional datasets by learning a low-dimensional latent representation of the data. It simultaneously learns a generative model and an…
In the field of machine learning, it is still a critical issue to identify and supervise the learned representation without manually intervening or intuition assistance to extract useful knowledge or serve for the downstream tasks. In this…
We propose a variational autoencoder (VAE) approach for parameter estimation in nonlinear mixed-effects models based on ordinary differential equations (NLME-ODEs) using longitudinal data from multiple subjects. In moderate dimensions,…