Results for “Autoencoders” — Page 5

NASA NTRS2023

Using Machine Learning to Infer Material Properties of Debris Fragments from X-ray Images in the DebriSat Project

The DebriSat project is a collaboration effort with the NASA Orbital Debris Program Office, the U.S. Space Force Space Systems Command Center, The Aerospace Corporation, and the University of Florida. To date, over 200,000 fragments from this ground-based, hypervelocity impact experiment have been collected, and processing is underway to determine their physical characteristics, such as material, shape, color, characteristic length, and average cross-sectional area. The x-ray process is primarily used to identify the location of the fragments and estimated size for extraction, so that these physical characteristics can be assessed. This paper proposes a machine learning-based approach to characterize materials from x-ray images of debris fragments embedded in soft-catch foam used in the DebriSat project. The novel methodology discussed in this paper will highlight the use of x-ray imagery data to characterize these fragments without extraction or a human-in-the-loop. Both supervised and unsupervised machine learning techniques are utilized with this approach to infer the physical parameters of the fragments embedded in the soft-catch foam panels used in the impact experiment based on x-ray images of the foam panels. Additionally, 3D reconstructions of the extracted fragments are created with images taken from two different angles using the structure from motion (SfM) method. The characteristic lengths and shape from the 3D reconstruction, alongside the physical characteristics of the debris, are used in the inference of the material type. To develop and test the approach, a dataset of x-ray images of debris fragments of varying sizes and materials is collected. Supervised learning methods such as convolutional neural networks (CNNs), support vector machines (SVM), decision trees, and random forest classifiers are used due to the high-dimensional feature spaces of the debris and nonlinear decision boundaries for material categorization. Given the limited pre-labeled data of embedded debris materials smaller than 10 mm, unsupervised machine learning techniques such as clustering algorithms and autoencoders are used, in addition to supervised learning methods. The clustering algorithms group similar fragments together based on their physical properties, and autoencoders reduce the dimensionality of the x ray images and extract relevant features. The performance of the proposed approach's is analyzed using a range of statistical methods, including confusion matrices, receiver operating characteristic curves, and precision-recall curves. The results are compared with those obtained using a baseline approach that relies on manual identification and classification of debris fragments. To evaluate the effectiveness of different machine learning methods, statistical tests such as t-tests, ANOVA, and cross-validation are performed, comparing the performance of CNNs, SVMs, clustering algorithms, and autoencoders. Additional analysis needs to be conducted to identify any sources of bias or variability that may affect the results, such as variations in imaging conditions or fragmentation patterns. Other topics explored are limitations, refinements, and the potential use of semi-supervised learning techniques, such as self-training to label unlabeled datasets and co-training using x-ray images taken from two different angles as two different models.

Saik Anam Siam↗

DOE OSTI2024

A Hybrid Anomaly Detection Approach for Obfuscated Malware

With the rapid evolution of malicious software, cyber threats have become increasingly sophisticated, employing advanced obfuscation techniques to evade traditional detection methods. This study presents a hybrid anomaly detection approach applied to obfuscated malware. Even though there is a large body of research in this field, existing malware detection techniques have some drawbacks, such as requiring large amounts of data, trustworthiness (imprecise results) of algorithms, and advanced obfuscation. To overcome these challenges, there is a need to employ solid and efficient techniques for malware detection. This paper proposes a hybrid approach, combining an autoencoder with traditional machine-learning methods to create an efficient malware detection framework. We used the malware memory dataset (MalMemAnalysis-2022) to evaluate this framework. The results indicate that our proposed approach can detect obfuscated malware when a deep autoencoder used for feature learning is combined with logistic regression, and it is extremely fast with an Accuracy, Detection Rate (DR), Matthew Correlation Coefficient(MCC), and Statistical Parity Difference

malware detection, Hybrid Anomly Detection, Obfusc↗

DOE OSTI2025

Low Activity Tritium Detection in CCDs Using Deep Learning Techniques

Here, this study explores the use of charge-coupled devices (CCDs) for detecting low-energy beta particles from tritium decay - a critical signal for nuclear safety, nuclear nonproliferation, and environmental monitoring. We employ a dual approach utilizing both measured CCD data and detailed Geant4 simulations. Our analysis compares classical techniques with advanced deep learning methods, including convolutional neural networks (CNNs), autoencoders trained exclusively on tritium data, and preliminary studies on boosted decision trees (BDTs). The CNN, trained on mixed signal/background datasets, demonstrates superior classification performance, while the autoencoder shows the potential of unsupervised, background-agnostic strategies when background characteristics are poorly defined. These results highlight the excellent sensitivity achievable thanks to the background rejection made possible by information-rich CCD data, paving the way for improved portable tritium monitoring.

Autoencoder↗

DOE OSTI2026

Graph theory inspired anomaly detection at the LHC

Designing model-independent anomaly detection algorithms for analyzing LHC data remains a central challenge in the search for new physics, due to the high dimensionality of collider events. In this work, we develop a graph autoencoder as an unsupervised, model-agnostic tool for anomaly detection, using the LHC Olympics dataset as a benchmark. By representing jet constituents as a graph, we introduce a method to systematically control the information available to the model through sparse graph constructions that serve as physically motivated inductive biases. Specifically, (1) we construct graph autoencoders based on locally rigid Laman graphs and globally rigid unique graphs, and (2) we explore the clustering of jet constituents into subjets to interpolate between high- and low-level input representations. We obtain the best performance, measured in terms of the Significance Improvement Characteristic curve for an intermediate level of subjet clustering and certain sparse unique graph constructions. We further investigate the role of graph connectivity in jet classification tasks. Our results demonstrate the potential of leveraging graph-theoretic insights to refine and increase the interpretability of machine learning tools for collider experiments.

Automation↗

DOE OSTI2026

Scaling kinetic Monte-Carlo simulations of grain growth with combined convolutional and graph neural networks

Graph neural networks (GNN) have emerged as a promising machine learning method for microstructure simulations such as grain growth. However, accurate modeling of realistic grain boundary networks requires large simulation cells, which GNN has difficulty scaling up to. To alleviate the computational costs and memory footprint of GNN, we suggest a hybrid architecture combining a convolutional neural network (CNN) based bijective autoencoder to compress the spatial dimensions, and a GNN that evolves the microstructure in the latent space of reduced spatial sizes. Our results demonstrate that the new design significantly reduces computational costs with using fewer message passing layer (from 12 down to 3) compared with GNN alone. The reduction in computational cost becomes more pronounced as the spatial size increases, indicating strong computational scalability. For the largest mesh evaluated (160 3 ), our method reduces memory usage and runtime in inference by 117× and 115×, respectively, compared with GNN-only baseline. More importantly, it shows higher accuracy and stronger spatiotemporal capability than the GNN-only baseline, especially in long-term testing. Such combination of scalability and accuracy is essential for simulating realistic material microstructures over extended time scales. The improvements can be attributed to the bijective autoencoder’s ability to compress information losslessly from spatial domain into a high dimensional feature space, thereby producing more expressive latent features for the GNN to learn from, while also contributing its own spatiotemporal modeling capability. Training data are generated from stochastic grain growth simulations, providing realistic variability for learning robust microstructure evolution. Comprehensive system validation confirms that the model is accurate, robust, and scalable.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Physical discovery in representation learning via conditioning on prior knowledge

Recent advances in electron, scanning probe, optical, and chemical imaging and spectroscopy yield bespoke data sets containing the information of structure and functionality of complex systems. In many cases, the resulting data sets are underpinned by low-dimensional simple representations encoding the factors of variability within the data. The representation learning methods seek to discover these factors of variability, ideally further connecting them with relevant physical mechanisms. However, generally, the task of identifying the latent variables corresponding to actual physical mechanisms is extremely complex. Here, we present an empirical study of an approach based on conditioning the data on the known (continuous) physical parameters and systematically compare it with the previously introduced approach based on the invariant variational autoencoders. The conditional variational autoencoder (cVAE) approach does not rely on the existence of the invariant transforms and hence allows for much greater flexibility and applicability. Interestingly, cVAE allows for limited extrapolation outside of the original domain of the conditional variable. However, this extrapolation is limited compared to the cases when true physical mechanisms are known, and the physical factor of variability can be disentangled in full. We further show that introducing the known conditioning results in the simplification of the latent distribution if the conditioning vector is correlated with the factor of variability in the data, thus allowing us to separate relevant physical factors. We initially demonstrate this approach using 1D and 2D examples on a synthetic data set and then extend it to the analysis of experimental data on ferroelectric domain dynamics visualized via piezoresponse force microscopy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Intercomparison of Deep Learning Model Architectures for Atmospheric River Prediction

With a rapid surge in the application of machine learning (ML) for a diverse range of tasks in climate science, the present study addresses a challenge for climate scientists when selecting the optimal ML or deep learning (DL) architecture for a given application. In particular, a DL intercomparison study was performed with a focus on forecasting the position of atmospheric rivers (ARs) on short-range time scales (up to 5-day lead times). AR predictions from multiple DL architectures, including various types of convolutional autoencoders and a vision transformer (ViT), were compared against ECMWF ERA5 reanalysis and hindcasts from a global climate model. DL models with similar trainable parameters were trained on ERA5 reanalysis data and AR positions derived from a thresholding algorithm to ensure a fair comparison among the DL models. Each model’s performance and accuracy in forecasting AR location and key input fields within a 5-day window were assessed using metrics of root-mean-square error, anomaly correlation, and mean intersection over union. The ViT architecture outperformed other autoencoder models in most of the metrics. Incorporating additional meteorological fields only yielded slight improvements in forecasting certain fields at longer lead times. The results also suggest that a smaller number of input time steps or smaller number of autoregressive steps can achieve better prediction skills, while also improving the overall computational efficiency. This research offers valuable insights into the strengths and weaknesses of different DL techniques for AR forecasting, hopefully guiding the development of improved models for forecasting this phenomenon.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Learning genetic perturbation effects with variational causal inference

Advances in sequencing technologies have enhanced the understanding of gene regulation in cells. In particular, Perturb-seq has enabled high-resolution profiling of the transcriptomic response to genetic perturbations at the single-cell level. This understanding has implications in functional genomics and potentially for identifying therapeutic targets. Various computational models have been developed to predict perturbational effects. While deep learning models excel at interpolating observed perturbational data, they tend to overfit in the lack of enough data and may not generalize well to unseen perturbations. In contrast, mechanistic models, such as linear causal models based on gene regulatory networks, hold greater potential for extrapolation, as they encapsulate regulatory information that can predict responses to unseen perturbations. However, their application has been limited to small studies due to overly simplistic assumptions, making them less effective in handling noisy, large-scale single-cell data. We propose a hybrid approach that combines a mechanistic causal model with variational deep learning, termed Single Cell Causal Variational Autoencoder (SCCVAE). The mechanistic model employs a learned regulatory network to represent perturbational changes as shift interventions that propagate through the learned network. SCCVAE integrates this mechanistic causal model into a variational autoencoder, generating rich, comprehensive transcriptomic responses. Our results indicate that SCCVAE exhibits superior performance over current state-of-the-art baselines for extrapolating to predict unseen perturbational responses. Additionally, for the observed perturbations, the latent space learned by SCCVAE allows for the identification of functional perturbation modules and simulation of single-gene knockdown experiments of varying penetrance, presenting a robust tool for interpreting and interpolating perturbational responses at the single-cell level.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Efficiency of ML Anomaly Detection Triggers for Emerging Jets

Novel machine learning-based anomaly detection Level 1 (L1) triggers are currently under development at CMS, namely AXOL1TL and CICADA. The former employs a variational autoencoder, while the latter utilizes a convolutional autoencoder. These triggers aim to balance rate reduction with model independence, enabling the selection of potentially significant events that might be overlooked by traditional triggers relying on basic kinematic variable selections. Consequently, they have the potential to enhance signals indicative of physics beyond the Standard Model, such as those associated with emerging jets. Such signals are predicted by models featuring a composite dark sector where long-lived particles decay into Standard Model jets with displaced tracks and numerous vertices. This study evaluates the efficiency of these anomaly detection triggers in selecting events with emerging jets produced via the s-channel production of two dark quarks.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Hybrid learning techniques for scientific data reduction with performance guarantees

The research initiatives supported by the U.S. Department of Energy (DOE) Grant DE-SC0022265 are fundamentally aimed at pioneering advanced machine learning (ML) techniques for scientific data compression within high-performance computing (HPC) environments. This comprehensive body of work addresses the critical challenge posed by the exponential growth of data generated by scientific simulations in domains such as fusion energy, climate modeling, and computational fluid dynamics (CFD). A core objective is to develop compression algorithms that achieve substantial data reduction—often by orders of magnitude—while rigorously ensuring the fidelity of both the primary data (PD) and scientifically crucial derived quantities of interest (QoI). The methodologies deployed under this grant integrate sophisticated deep learning architectures, prominently featuring autoencoders, advanced generative models like conditional diffusion, and hybrid learning techniques. Key innovations include the development of Guaranteed Autoencoders (GAE) and the Guaranteed Conditional Diffusion with Tensor Correction (GCDTC) framework, which provide explicit, instance-level error bounds on reconstructed data. Furthermore, specialized strategies such as nonlinear constraint satisfaction are employed to preserve the integrity of QoI, a vital requirement for the trustworthiness of downstream scientific analyses. This research also focuses on the design and implementation of scalable, GPU-accelerated software pipelines that seamlessly integrate into existing HPC workflows, ensuring both computational efficiency and practical applicability. The CAESAR framework, for example, unifies foundation and generative models to create an adaptive and efficient compression solution for spatio-temporal scientific data. Collectively, these efforts represent a significant advancement in mitigating the scientific data deluge, enabling more effective data management, accelerated scientific discovery, and optimized utilization of HPC resources.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Final report- UFL - RAPIDS2: A SciDAC Institute for Computer Science, Data, and Artificial Intelligence

The research initiatives supported by the U.S. Department of Energy (DOE) Grant DE-SC0022265 are fundamentally aimed at pioneering advanced machine learning (ML) techniques for scientific data compression within high-performance computing (HPC) environments. This comprehensive body of work addresses the critical challenge posed by the exponential growth of data generated by scientific simulations in domains such as fusion energy, climate modeling, and computational fluid dynamics (CFD). A core objective is to develop compression algorithms that achieve substantial data reduction—often by orders of magnitude—while rigorously ensuring the fidelity of both the primary data (PD) and scientifically crucial derived quantities of interest (QoI). The methodologies deployed under this grant integrate sophisticated deep learning architectures, prominently featuring autoencoders, advanced generative models like conditional diffusion, and hybrid learning techniques. Key innovations include the development of Guaranteed Autoencoders (GAE) and the Guaranteed Conditional Diffusion with Tensor Correction (GCDTC) framework, which provide explicit, instance-level error bounds on reconstructed data. Furthermore, specialized strategies such as nonlinear constraint satisfaction are employed to preserve the integrity of QoI, a vital requirement for the trustworthiness of downstream scientific analyses. This research also focuses on the design and implementation of scalable, GPU-accelerated software pipelines that seamlessly integrate into existing HPC workflows, ensuring both computational efficiency and practical applicability. The CAESAR framework, for example, unifies foundation and generative models to create an adaptive and efficient compression solution for spatio-temporal scientific data. Collectively, these efforts represent a significant advancement in mitigating the scientific data deluge, enabling more effective data management, accelerated scientific discovery, and optimized utilization of HPC resources.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Real-Time Anomaly Detection for Beyond Standard Model Searches in ProtoDUNE Horizontal Drift

This paper summarizes work conducted throughout a SULI internship at Fermi National Accelerator Laboratory focused on building an unsupervised machine learning model for real-time anomaly detection in ProtoDUNE Horizontal Drift. Using simulated data, we trained an autoencoder model on a pure cosmic dataset, and evaluated it on both cosmic and neutrino events---making the model an anomaly detector. The goal was to make a model which matches or exceeds the current ADC Simple Window trigger algorithm so that our model can perform at the same rate but provide sensitivity to potential beyond-the-Standard-Model (BSM) signatures. In the end, we were able to construct a model which slightly exceeds the capabilities of the ADC Simple Window while remaining completely unsupervised, achieving $31.9 \pm 0.2$\% ($26.6 \pm 0.2$\%) $\nu$ efficiency at 5 Hz (2 Hz), a 3.6 (3.2) percentage point increase. Additionally, $17.5 \pm 0.3$\% ($18.3 \pm 0.3$\%) of the events that passed the autoencoder at 5 Hz (2 Hz) were missed by the current trigger algorithm. Future work will investigate alternative normalization methods, including quantile transformation, and evaluate the model on ProtoDUNE-HD detector-glitch data if that data becomes available.

Wilson, Cameron C. [Cincinnati U., RWC]↗

DOE OSTI2026

Real-Time Anomaly Detection for Beyond Standard Model Searches in ProtoDUNE Horizontal Drift

This paper summarizes work conducted throughout a SULI internship at Fermi National Accelerator Laboratory focused on building an unsupervised machine learning model for real-time anomaly detection in ProtoDUNE Horizontal Drift. Using simulated data, we trained an autoencoder model on a pure cosmic dataset, and evaluated it on both cosmic and neutrino events---making the model an anomaly detector. The goal was to make a model which matches or exceeds the current ADC Simple Window trigger algorithm so that our model can perform at the same rate but provide sensitivity to potential beyond-the-Standard-Model (BSM) signatures. In the end, we were able to construct a model which slightly exceeds the capabilities of the ADC Simple Window while remaining completely unsupervised, achieving $31.9 \pm 0.2$\% ($26.6 \pm 0.2$\%) $\nu$ efficiency at 5 Hz (2 Hz), a 3.6 (3.2) percentage point increase. Additionally, $17.5 \pm 0.3$\% ($18.3 \pm 0.3$\%) of the events that passed the autoencoder at 5 Hz (2 Hz) were missed by the current trigger algorithm. Future work will investigate alternative normalization methods, including quantile transformation, and evaluate the model on ProtoDUNE-HD detector-glitch data if that data becomes available.

Wilson, Cameron C. [Cincinnati U., RWC]↗

DOE OSTI2026

Leveraging machine learning to enhance aerosol classification using Single-Particle Mass Spectrometry

Advancing automated classification of atmospheric aerosols from Single-Particle Mass Spectrometry (SPMS) data remains challenging due to overlapping ion signatures, compositional diversity, and limited labeled data. This study evaluates supervised and semi-supervised learning frameworks to enhance aerosol identification by jointly leveraging labeled and unlabeled spectra. Four models were compared: a supervised Support Vector Machine (SVM), a self-training SVM, a stacked autoencoder classifier, and a stacked autoencoder trained using a temporal-ensembling Mean Teacher approach. All models achieved high and stable accuracies (90.0 %–91.1 %), surpassing previous results on the same dataset (87 %) and matching the performance of state-of-the-art deep learning methods. Despite small global metric differences (≤ 1 %), semi-supervised variants yielded up to 5 %–10 % improvements for compositionally rare particle types – such as soot (0.77 % of spectra, F1-score: 0.93–0.97) and hazelnut pollen (0.98 % of spectra, F1-score: 0.97–1.00) – equating to roughly ∼ 187 additional correctly classified spectra. These gains are scientifically significant, as such rare particles exert disproportionate influence on radiative absorption and ice nucleation processes; their improved detection reduces modeled uncertainties in aerosol absorption optical depth and mixed-phase cloud ice nucleation rates. The models' residual misclassifications (≈ 9 %) largely arise from true spectral overlap among chemically adjacent species (e.g., Na- vs. K-feldspar, coated vs. uncoated feldspars), reflecting physical compositional continuity rather than algorithmic error. Collectively, these findings demonstrate that leveraging unlabeled data to learn robust spectral representations and refine classification enhances both fidelity and interpretability, bridging data-driven analysis with aerosol–climate process understanding.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2019

A Communication Channel Density Estimating Generative Adversarial Network

Autoencoder-based communication systems use neural network channel models to backwardly propagate message reconstruction error gradients across an approximation of the physical communication channel. In this work, we develop and test a new generative adversarial network (GAN) architecture for the purpose of training a stochastic channel approximating neural network. In previous research, investigators have focused on additive white Gaussian noise (AWGN) channels and/or simplified Rayleigh fading channels, both of which are linear and have well defined analytic solutions. Given that training a neural network is computationally expensive, channel approximation networks— and more generally the autoencoder systems—should be evaluated in communication environments that are traditionally difficult. To that end, our investigation focuses on channels that contain a combination of non-linear amplifier distortion, pulse shape filtering, intersymbol interference, frequency-dependent group delay, multipath, and non-Gaussian statistics. Each of our models are trained without any prior knowledge of the channel. We show that the trained models have learned to generalize over an arbitrary amplifier drive level and constellation alphabet. We demonstrate the versatility of our GAN architecture by comparing the marginal probability density function of several channel simulations with that of their corresponding neural network approximations

Smith, Aaron↗

NASA NTRS2021

Applying Machine Learning to Predict Alaskan Ionospheric Irregularities

In this work several machine-learning (ML) techniques for predicting ionospheric irregularities in the northern auroral zone were tested. The techniques include Ridge Regression, Long Short-Term Memory Neural Network (LSTM), Classification Neural Network (CNN), Autoencoder Classification Neural Network (ACNN), and LSTM Autoencoder Classification Neural Network (LACNN). These techniques were tested with the rate of total electron content (TEC) index (ROTI) data collected during 2008 and 2009 from a geodetic station in Fairbanks, Alaska (64.98°N, 147.50°W), which is in the auroral zone. Using ROTI data with the ML techniques, experiments were conducted to reach two goals: (1) examine what space weather measurements present good correlation with ROTI so that they may be helpful in ML-based prediction of ionospheric irregularities in the polar region; (2) predict ROTI hours and days ahead by training the neural network models with historical ROTI data alone. The Ridge Regression experiments indicate that a combination of measurements of local geomagnetic horizontal components, geomagnetic SYM-H index, 3-hour Kp and ap indices, and F10.7 solar flux index appears to be more correlated to the single-site ROTI measurements than other parameters. The neural network (NN) experiments show that although the LACNN model allows for predictions of non-irregularity and irregularity conditions defined by ROTI levels up to 3 hours in advance, with an overall accuracy ≥ 92%, a number of irregularity events can still be missed. Hence, further development is needed to reduce the number of missed events. In this paper, the models, data processing, model performance, prediction results, and potential applications are presented.

Pi, Xiaoqing↗

NASA NTRSDate not supplied

VFR Trajectory Forecasting using Deep Generative Model for Autonomous Airspace Operations

To enable the airspace integration of autonomous operations, such as uncrewed aircraft conducting cargo deliveries, there is a need to forecast the positions of the surrounding traffic with which they may interact. This paper focuses on forecasting Visual Flight Rules traffic, a significant source of uncertainty and risk in the airspace, especially around small regional airports, due to the unplanned and often untracked nature of such flights. A deep generative model is developed, trained on historical traffic data at example towered and non-towered airports, and used to predict flight trajectories. Experimental results are presented comparing the performance of variational autoencoder and classical machine learning forecasting when applied to both the towered and non-towered airports over varying time horizons. The results show the advantages of the variational autoencoder in producing accurate probabilistic forecasts over varying time horizons.

uncrewed aircraft↗

NASA NTRSDate not supplied

VFR Trajectory Forecasting using Deep Generative Model for Autonomous Airspace Operations

To enable the airspace integration of autonomous operations, such as uncrewed aircraft conducting cargo deliveries, there is a need to forecast the positions of the surrounding traffic with which they may interact. This paper focuses on forecasting Visual Flight Rules traffic, a significant source of uncertainty and risk in the airspace, especially around small regional airports, due to the unplanned and often untracked nature of such flights. A deep generative model is developed, trained on historical traffic data at example towered and non-towered airports, and used to predict flight trajectories. Experimental results are presented comparing the performance of variational autoencoder and classical machine learning forecasting when applied to both the towered and non-towered airports over varying time horizons. The results show the advantages of the variational autoencoder in producing accurate probabilistic forecasts over varying time horizons.

uncrewed aircraft↗