Improving Variational Autoencoder using Random Fourier Transformation: An Aviation Safety Anomaly Detection Case-Study

In this study, we focus on the training process and inference improvements of deep neural networks (DNNs), specifically Autoencoders (AEs) and Variational Autoencoders (VAEs), using Random Fourier Transformation (RFT). We further explore the role of RFT in model training behavior using Frequency Principle (F-Principle) analysis and show that models with RFT turn to learn low frequency and high frequency at the same time, whereas conventional DNNs start from low frequency and gradually learn (if successful) high-frequency features. We focus on reconstruction-based anomaly detection using autoencoder and variational autoencoder and investigate the RFT's role. We also introduced a trainable variant of RFT that uses the existing computation graph to train the expansion of RFT instead of it being random. We showcase our findings with two low-dimensional synthetic datasets for data representation, and an aviation safety dataset, called Dashlink, for high-dimensional reconstruction-based anomaly detection. The results indicate the superiority of models with Fourier transformation compared to the conventional counterpart and remain inconclusive regarding the benefits of using trainable Fourier transformation in contrast to the Random variant.

Anomaly Detection in Aeronautics Data with Quantum-compatible Discrete Deep Generative Model

Deep generative learning cannot only be used for generating new data with statistical characteristics derived from input data but also for anomaly detection, by separating nominal and anomalous instances based on their reconstruction quality. In this paper, we explore the performance of three unsupervised deep generative models -- variational autoencoders (VAEs) with Gaussian, Bernoulli, and Boltzmann priors -- in detecting anomalies in flight-operations data of commercial flights consisting of multivariate time series. We devised two VAE models with discrete latent variables (DVAEs), one with a factorized Bernoulli prior and one with a restricted Boltzmann machine (RBM) as prior, because of the demand for discrete-variable models in machine-learning applications and because the integration of quantum devices based on two-level quantum systems requires such models. The DVAE with RBM prior, using a relatively simple -- and classically or quantum-mechanically enhanceable -- sampling technique for the evolution of the RBM's negative phase, performed better than the Bernoulli DVAE and on par with the Gaussian model, which has a continuous latent space. Our studies demonstrate the competitiveness of a discrete deep generative model with its Gaussian counterpart on anomaly-detection tasks. Moreover, the DVAE model with RBM prior can be easily integrated with quantum sampling by outsourcing its generative process to measurements of quantum states obtained from a quantum annealer or gate-model device.

Multi-scale Digital Twin: Developing a fast and physics-informed surrogate model for groundwater contamination with uncertain climate models

Soil and groundwater contamination is a pervasive problem at thousands of locations across the world. Contaminated sites often require decades to remediate or to monitor natural attenuation. Climate change exacerbates the long-term site management problem because extreme precipitation and/or shifts in precipitation/evapotranspiration regimes could re-mobilize contaminants and proliferate affected groundwater. To quickly assess the spatiotemporal variations of groundwater contamination under uncertain climate disturbances, we developed a physics-informed machine learning surrogate model using U-Net enhanced Fourier Neural Operator (U-FNO) to solve Partial Differential Equations (PDEs) of groundwater flow and transport simulations at the site scale.We develop a combined loss function that includes both data-driven factors and physical boundary constraints at multiple spatiotemporal scales. Our U-FNOs can reliably predict the spatiotemporal variations of groundwater flow and contaminant transport properties from 1954 to 2100 with realistic climate projections. In parallel, we develop a convolutional autoencoder combined with online clustering to reduce the dimensionality of the vast historical and projected climate data by quantifying climatic region similarities across the United States. The ML-based unique climate clusters provide climate projections for the surrogate modeling and help return reliable future recharge rate projections immediately without querying large climate datasets. In all, this Multi-scale Digital Twin work can advance the field of environmental remediation under climate change.