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Here we propose the Reweighted Autoencoded Variational Bayes for Enhanced Sampling (RAVE) method, a new iterative scheme that uses the deep learning framework of variational autoencoders to enhance sampling in molecular simulations. RAVE…

Inverse problems often involve matching observational data using a physical model that takes a large number of parameters as input. These problems tend to be under-constrained and require regularization to impose additional structure on the…

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.…

We propose a novel probabilistic generative model for action sequences. The model is termed the Action Point Process VAE (APP-VAE), a variational auto-encoder that can capture the distribution over the times and categories of action…

This paper proposes a method for detecting anomalies in video data. A Variational Autoencoder (VAE) is used for reducing the dimensionality of video frames, generating latent space information that is comparable to low-dimensional sensory…

Integrating physics models within machine learning models holds considerable promise toward learning robust models with improved interpretability and abilities to extrapolate. In this work, we focus on the integration of incomplete physics…

Machine learning is vital in high-stakes domains, yet conventional validation methods rely on averaging metrics like mean squared error (MSE) or mean absolute error (MAE), which fail to quantify extreme errors. Worst-case prediction…

Sensor fusion can significantly improve the performance of many computer vision tasks. However, traditional fusion approaches are either not data-driven and cannot exploit prior knowledge nor find regularities in a given dataset or they are…

Variational Autoencoders (VAEs) provide a flexible and scalable framework for non-linear dimensionality reduction. However, in application domains such as genomics where data sets are typically tabular and high-dimensional, a black-box…

Deep neural networks with discrete latent variables offer the promise of better symbolic reasoning, and learning abstractions that are more useful to new tasks. There has been a surge in interest in discrete latent variable models, however,…

A major challenge in quantum computing is its application to large real-world datasets due to scarce quantum hardware resources. One approach to enabling tractable quantum models for such datasets involves finding low-dimensional…

Many real-world monitoring and surveillance applications require non-trivial anomaly detection to be run in the streaming model. We consider an incremental-learning approach, wherein a deep-autoencoding (DAE) model of what is normal is…

Variational AutoEncoder (VAE) has been extended as a representative nonlinear method for collaborative filtering. However, the bottleneck of VAE lies in the softmax computation over all items, such that it takes linear costs in the number…

The laminar-to-turbulent transition remains a fundamental and enduring challenge in fluid mechanics. Its complexity arises from the intrinsic nonlinearity and extreme sensitivity to external disturbances. This transition is critical in a…

Density estimation, compression and data generation are crucial tasks in artificial intelligence. Variational Auto-Encoders (VAEs) constitute a single framework to achieve these goals. Here, we present a novel class of generative models,…

We investigate the application of artificial neural networks to stabilize proper orthogonal decomposition based reduced order models for quasi-stationary geophysical turbulent flows. An extreme learning machine concept is introduced for…

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…

The Variational Auto-Encoder (VAE) is a simple, efficient, and popular deep maximum likelihood model. Though usage of VAEs is widespread, the derivation of the VAE is not as widely understood. In this tutorial, we will provide an overview…

Variational autoencoders (VAEs) are a popular framework for modeling complex data distributions; they can be efficiently trained via variational inference by maximizing the evidence lower bound (ELBO), at the expense of a gap to the exact…

Advances in latent diffusion models (LDMs) have revolutionized high-resolution image generation, but the design space of the autoencoder that is central to these systems remains underexplored. In this paper, we introduce LiteVAE, a new…