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Conformational sampling of biomolecules using molecular dynamics simulations often produces large amount of high dimensional data that makes it difficult to interpret using conventional analysis techniques. Dimensionality reduction methods…

Variational autoencoders (VAE) are directed generative models that learn factorial latent variables. As noted by Burda et al. (2015), these models exhibit the problem of factor over-pruning where a significant number of stochastic factors…

A key advance in learning generative models is the use of amortized inference distributions that are jointly trained with the models. We find that existing training objectives for variational autoencoders can lead to inaccurate amortized…

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,…

Deep generative models aim to learn underlying distributions that generate the observed data. Given the fact that the generative distribution may be complex and intractable, deep latent variable models use probabilistic frameworks to learn…

Many real-world problems require reasoning across multiple scales, demanding models which operate not on single data points, but on entire distributions. We introduce generative distribution embeddings (GDE), a framework that lifts…

Identifying molecules that exhibit some pre-specified properties is a difficult problem to solve. In the last few years, deep generative models have been used for molecule generation. Deep Graph Variational Autoencoders are among the most…

Generative Artificial Intelligence (AI) models are a compelling way to introduce K-12 students to AI education using an artistic medium, and hence have drawn attention from K-12 AI educators. Previous Creative AI curricula mainly focus on…

Two-stage object detectors generate object proposals and classify them to detect objects in images. These proposals often do not contain the objects perfectly but overlap with them in many possible ways, exhibiting great variability in the…

Paradoxically, a Variational Autoencoder (VAE) could be pushed in two opposite directions, utilizing powerful decoder model for generating realistic images but collapsing the learned representation, or increasing regularization coefficient…

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…

Many of the existing machine learning algorithms, both supervised and unsupervised, depend on the quality of the input characteristics to generate a good model. The amount of these variables is also important, since performance tends to…

Variational AutoEncoders (VAEs) provide a means to generate representational latent embeddings. Previous research has highlighted the benefits of achieving representations that are disentangled, particularly for downstream tasks. However,…

Classic variational autoencoders are used to learn complex data distributions, that are built on standard function approximators. Especially, VAE has shown promise on a lot of complex task. In this paper, a new autoencoder model -…

Generative AI models for music and the arts in general are increasingly complex and hard to understand. The field of eXplainable AI (XAI) seeks to make complex and opaque AI models such as neural networks more understandable to people. One…

Three-dimensional geometric data offer an excellent domain for studying representation learning and generative modeling. In this paper, we look at geometric data represented as point clouds. We introduce a deep AutoEncoder (AE) network with…

Embracing the deep learning techniques for representation learning in clustering research has attracted broad attention in recent years, yielding a newly developed clustering paradigm, viz. the deep clustering (DC). Typically, the DC models…

Variational Auto-encoders (VAEs) are deep generative latent variable models consisting of two components: a generative model that captures a data distribution p(x) by transforming a distribution p(z) over latent space, and an inference…

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…

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…