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In data-driven drug discovery, designing molecular descriptors is a very important task. Deep generative models such as variational autoencoders (VAEs) offer a potential solution by designing descriptors as probabilistic latent vectors…
Variational Autoencoder is a scalable method for learning latent variable models of complex data. It employs a clear objective that can be easily optimized. However, it does not explicitly measure the quality of learned representations. We…
Learning deep discrete latent presentations offers a promise of better symbolic and summarized abstractions that are more useful to subsequent downstream tasks. Inspired by the seminal Vector Quantized Variational Auto-Encoder (VQ-VAE),…
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…
Despite advances in deep probabilistic models, learning discrete latent representations remains challenging. This work introduces a novel method to improve inference in discrete Variational Autoencoders by reframing the inference problem…
Constructing a compressed latent space through a variational autoencoder (VAE) is the key for efficient 3D diffusion models. This paper introduces COD-VAE that encodes 3D shapes into a COmpact set of 1D latent vectors without sacrificing…
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…
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 ability to accurately model random fields plays a critical role in science and engineering for problems involving uncertain, spatially-varying quantities such as heterogeneous material properties and turbulent flows. Deep generative…
Discrete latent bottlenecks in variational autoencoders (VAEs) offer high bit efficiency and can be modeled with autoregressive discrete distributions, enabling parameter-efficient multimodal search with transformers. However, discrete…
The Variational Autoencoder (VAE) has proven to be an effective model for producing semantically meaningful latent representations for natural data. However, it has thus far seen limited application to sequential data, and, as we…
The Gaussianity assumption has been consistently criticized as a main limitation of the Variational Autoencoder (VAE) despite its efficiency in computational modeling. In this paper, we propose a new approach that expands the model capacity…
One major challenge of disentanglement learning with variational autoencoders is the trade-off between disentanglement and reconstruction fidelity. Previous studies, which increase the information bottleneck during training, tend to lose…
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…
Discrete latent variables are considered important for real world data, which has motivated research on Variational Autoencoders (VAEs) with discrete latents. However, standard VAE training is not possible in this case, which has motivated…
Classical methods for model order selection often fail in scenarios with low SNR or few snapshots. Deep learning-based methods are promising alternatives for such challenging situations as they compensate lack of information in the…
After deep generative models were successfully applied to image generation tasks, learning disentangled latent variables of data has become a crucial part of deep generative model research. Many models have been proposed to learn an…
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…
The ability to extract generative parameters from high-dimensional fields of data in an unsupervised manner is a highly desirable yet unrealized goal in computational physics. This work explores the use of variational autoencoders (VAEs)…
Deep generative models have been enjoying success in modeling continuous data. However it remains challenging to capture the representations for discrete structures with formal grammars and semantics, e.g., computer programs and molecular…