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At least 163 records · Page 9

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Improving Sim-to-Real Transfer in Vision-Based Robot Navigation Via Instance-Level GAN-Based Data Augmentation

Achieving robust vision-based robotic tasks requires large amounts of data, which are often difficult to obtain in real-world scenarios. Simulators and synthetic data offer a cost-effective alternative, but the visual gap between simulation and reality hinders the performance of models when deployed in real-world environments. In this paper, we present a data augmentation pipeline that integrates a foundation model (Segment Anything Model) with an unsupervised image-to-image translation model (CycleGAN) for instance-level domain transfer from simulation to reality. This pipeline enables the generation of realistic labeled data from synthetic images for training supervised machine learning models in vision-based navigation tasks. We evaluate our approach on real-world data for ego-vehicle pose estimation, a critical autonomous navigation task involving the prediction of cross-track position and heading angle relative to road center line markings. The results of our tests show that our GAN-based data augmentation pipeline significantly outperforms models trained solely on simulation data or on data processed with standard image augmentation methods for sim-to-real transfer, enhancing model robustness and generalizability in real-world scenarios. Our method provides a scalable and flexible data augmentation tool for leveraging large synthetic datasets to enhance vision-based robotic navigation tasks.

artificial intelligence↗

DOE OSTI2025

Unveiling X-ray absorption signatures of boron nitride via first-principles simulation and machine learning

Boron nitride (BN) allotropes hold great promise in many advanced applications ranging from optical and photonic devices to energy storage and battery systems to tribological components. The diverse functionalities of this material stem from BN’s highly tunable structural and electronic properties, which are governed by the versatile boron–nitrogen bonding configurations. Exploring the structural landscape of BN can unveil novel structures possessing unique properties suited for specific applications, therefore accelerating the design of next-generation advanced functional materials. In this work, we leverage boron K-edge X-ray absorption spectroscopy (XAS) as an effective probe for local structural features and chemical environments. A total of 210 BN crystal structures are generated via analogies to the extensive array of carbon allotropes, and XAS is simulated for each unique local motif within the resulting collection of structures. A mapping between structural features and spectral signatures was established by synergizing first-principle simulations with data-driven based post-analysis approaches. Specifically, we developed a neural network model that can satisfactorily predict spectra line shapes from local structural descriptors. Toward automatic spectroscopic interpretation of any new BN structures, supervised machine learning models, trained on this structure–spectrum dataset, can accurately infer local coordination environments from simulated XAS, highlighting the strength of this unique approach of combining high-fidelity first-principles simulation and machine-learning to accelerate target design of novel BN materials via rational understanding of local structure-spectrum correlations.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Ultrafast Bragg coherent diffraction imaging of epitaxial thin films using deep complex-valued neural networks

Abstract Domain wall structures form spontaneously due to epitaxial misfit during thin film growth. Imaging the dynamics of domains and domain walls at ultrafast timescales can provide fundamental clues to features that impact electrical transport in electronic devices. Recently, deep learning based methods showed promising phase retrieval (PR) performance, allowing intensity-only measurements to be transformed into snapshot real space images. While the Fourier imaging model involves complex-valued quantities, most existing deep learning based methods solve the PR problem with real-valued based models, where the connection between amplitude and phase is ignored. To this end, we involve complex numbers operation in the neural network to preserve the amplitude and phase connection. Therefore, we employ the complex-valued neural network for solving the PR problem and evaluate it on Bragg coherent diffraction data streams collected from an epitaxial La 2-x Sr x CuO 4 (LSCO) thin film using an X-ray Free Electron Laser (XFEL). Our proposed complex-valued neural network based approach outperforms the traditional real-valued neural network methods in both supervised and unsupervised learning manner. Phase domains are also observed from the LSCO thin film at an ultrafast timescale using the complex-valued neural network.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2021

Defect detection in atomic-resolution images via unsupervised learning with translational invariance

Abstract Crystallographic defects can now be routinely imaged at atomic resolution with aberration-corrected scanning transmission electron microscopy (STEM) at high speed, with the potential for vast volumes of data to be acquired in relatively short times or through autonomous experiments that can continue over very long periods. Automatic detection and classification of defects in the STEM images are needed in order to handle the data in an efficient way. However, like many other tasks related to object detection and identification in artificial intelligence, it is challenging to detect and identify defects from STEM images. Furthermore, it is difficult to deal with crystal structures that have many atoms and low symmetries. Previous methods used for defect detection and classification were based on supervised learning, which requires human-labeled data. In this work, we develop an approach for defect detection with unsupervised machine learning based on a one-class support vector machine (OCSVM). We introduce two schemes of image segmentation and data preprocessing, both of which involve taking the Patterson function of each segment as inputs. We demonstrate that this method can be applied to various defects, such as point and line defects in 2D materials and twin boundaries in 3D nanocrystals.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Development and validation of a supervised machine learning radar Doppler spectra peak-finding algorithm

In many types of clouds, multiple hydrometeor populations can be present at the same time and height. Studying the evolution of these different hydrometeors in a time–height perspective can give valuable information on cloud particle composition and microphysical growth processes. However, as a prerequisite, the number of different hydrometeor types in a certain cloud volume needs to be quantified. This can be accomplished using cloud radar Doppler velocity spectra from profiling cloud radars if the different hydrometeor types have sufficiently different terminal fall velocities to produce individual Doppler spectrum peaks. Here we present a newly developed supervised machine learning radar Doppler spectra peak-finding algorithm (named PEAKO). In this approach, three adjustable parameters (spectrum smoothing span, prominence threshold, and minimum peak width at half-height) are varied to obtain the set of parameters which yields the best agreement of user-classified and machine-marked peaks. The algorithm was developed for Ka-band ARM zenith-pointing radar (KAZR) observations obtained in thick snowfall systems during the Atmospheric Radiation Measurement Program (ARM) mobile facility AMF2 deployment at Hyytiälä, Finland, during the Biogenic Aerosols – Effects on Clouds and Climate (BAECC) field campaign. The performance of PEAKO is evaluated by comparing its results to existing Doppler peak-finding algorithms. The new algorithm consistently identifies Doppler spectra peaks and outperforms other algorithms by reducing noise and increasing temporal and height consistency in detected features. In the future, the PEAKO algorithm will be adapted to other cloud radars and other types of clouds consisting of multiple hydrometeors in the same cloud volume.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

DeepAndes: A Self-Supervised Vision Foundation Model for Multispectral Remote Sensing Imagery of the Andes

By mapping sites at large scales usingremotely sensed data, archaeologists can generate unique insights into long-term demographic trends, interregional social networks, and human adaptations in the past. Remote sensing surveys complement field-based approaches, and their reach can be especially great when combined with deep learning and computer vision techniques. However, conventional supervised deep learning methods face challenges in annotating fine-grained archaeological features at scale. In addition, while recent vision foundation models have shown remarkable success in learning large-scale remote sensing data with minimal annotations, most off-the-shelf solutions are designed for RGB images rather than multispectral satellite imagery, such as the eight-band data used in our study. In this article, we introduce DeepAndes, a transformer-based vision foundation model trained on three million multispectral satellite images, specifically tailored for Andean archaeology. DeepAndes incorporates a customized DINOv2 self-supervised learning algorithm optimized for eight-band multispectral imagery, marking the first foundation model designed explicitly for the Andes region. We evaluate its image understanding performance through imbalanced image classification, image instance retrieval, and pixel-level semantic segmentation tasks. Our experiments show that DeepAndes achieves superior F1 scores, mean average precision, and Dice scores in few-shot learning scenarios, significantly outperforming models trained from scratch or pretrained on smaller datasets. This underscores the effectiveness of large-scale self-supervised pretraining in archaeological remote sensing.

Guo, Junlin [Vanderbilt Univ., Nashville, TN (Unit↗

DOE OSTI2022

Inter-Domain Fusion for Enhanced Intrusion Detection in Power Systems: An Evidence Theoretic and Meta-Heuristic Approach

False alerts due to misconfigured or compromised intrusion detection systems (IDS) in industrial control system (ICS) networks can lead to severe economic and operational damage. However, research using deep learning to reduce false alerts often requires the physical and cyber sensor data to be trustworthy. Implicit trust is a major problem for artificial intelligence or machine learning (AI/ML) in cyber-physical system (CPS) security, because when these solutions are most urgently needed is also when they are most at risk (e.g., during an attack). To address this, the Inter-Domain Evidence theoretic Approach for Inference (IDEA-I) is proposed that reframes the detection problem as how to make good decisions given uncertainty. Specifically, an evidence theoretic approach leveraging Dempster–Shafer (DS) combination rules and their variants is proposed for reducing false alerts. A multi-hypothesis mass function model is designed that leverages probability scores obtained from supervised-learning classifiers. Using this model, a location-cum-domain-based fusion framework is proposed to evaluate the detector’s performance using disjunctive, conjunctive, and cautious conjunctive rules. The approach is demonstrated in a cyber-physical power system testbed, and the classifiers are trained with datasets from Man-In-The-Middle attack emulation in a large-scale synthetic electric grid. For evaluating the performance, we consider plausibility, belief, pignistic, and general Bayesian theorem-based metrics as decision functions. To improve the performance, a multi-objective-based genetic algorithm is proposed for feature selection considering the decision metrics as the fitness function. Finally, we present a software application to evaluate the DS fusion approaches with different parameters and architectures.

42 ENGINEERING↗

DOE OSTI2021

Self-Supervised Anomaly Detection via Neural Autoregressive Flows with Active Learning

Many self-supervised methods have been proposed with the target of image anomaly detection. These methods often rely on the paradigm of data augmentation with predefined transformations such as flipping, cropping, and rotations. However, it is not straightforward to apply these techniques for non-image data, such as time series or tabular data, while the performance of the existing deep approaches has been under our expectation on tasks beyond images. In this work, we propose a novel active learning (AL) scheme that relied on neural autoregressive flows (NAF) for self-supervised anomaly detection, specifically on small-scale data. Unlike other generative models such as GANs or VAEs, flow-based models allow to explicitly learn the probability density and thus can assign accurate likelihoods to normal data which makes it usable to detect anomalies. The proposed NAF-AL method is achieved by efficiently generating random samples from latent space and transforming them into feature space along with likelihoods via invertible mapping. The samples with lower likelihoods are selected and further checked by outlier detection using Mahalanobis distance. The augmented samples incorporating with normal samples are used for training a better detector so as to approach decision boundaries. Compared with random transformations, NAF-AL can be interpreted as a likelihood-oriented data augmentation that is more efficient and robust. Extensive experiments show that our approach outperforms existing baselines on multiple time series and tabular datasets, and a real-world application in advanced manufacturing, with significant improvement on anomaly detection accuracy and robustness over the state-of-the-art.

Zhang, Jiaxin↗

DOE OSTI2024

Missing Wedge Completion via Unsupervised Learning with Coordinate Networks

Cryogenic electron tomography (cryoET) is a powerful tool in structural biology, enabling detailed 3D imaging of biological specimens at a resolution of nanometers. Despite its potential, cryoET faces challenges such as the missing wedge problem, which limits reconstruction quality due to incomplete data collection angles. Recently, supervised deep learning methods leveraging convolutional neural networks (CNNs) have considerably addressed this issue; however, their pretraining requirements render them susceptible to inaccuracies and artifacts, particularly when representative training data is scarce. To overcome these limitations, we introduce a proof-of-concept unsupervised learning approach using coordinate networks (CNs) that optimizes network weights directly against input projections. This eliminates the need for pretraining, reducing reconstruction runtime by 3–20× compared to supervised methods. Our in silico results show improved shape completion and reduction of missing wedge artifacts, assessed through several voxel-based image quality metrics in real space and a novel directional Fourier Shell Correlation (FSC) metric. Our study illuminates benefits and considerations of both supervised and unsupervised approaches, guiding the development of improved reconstruction strategies.

42 ENGINEERING↗

DOE OSTI2017

Prediction of inherited genomic susceptibility to 20 common cancer types by a supervised machine-learning method

Prevention and early intervention are the most effective ways of avoiding or minimizing psychological, physical, and financial suffering from cancer. However, such proactive action requires the ability to predict the individual’s susceptibility to cancer with a measure of probability. Of the triad of cancer-causing factors (inherited genomic susceptibility, environmental factors, and lifestyle factors), the inherited genomic component may be derivable from the recent public availability of a large body of whole-genome variation data. However, genome-wide association studies have so far showed limited success in predicting the inherited susceptibility to common cancers. We present here a multiple classification approach for predicting individuals’ inherited genomic susceptibility to acquire the most likely phenotype among a panel of 20 major common cancer types plus 1 “healthy” type by application of a supervised machine-learning method under competing conditions among the cohorts of the 21 types. This approach suggests that, depending on the phenotypes of 5,919 individuals of “white” ethnic population in this study, (i) the portion of the cohort of a cancer type who acquired the observed type due to mostly inherited genomic susceptibility factors ranges from about 33 to 88% (or its corollary: the portion due to mostly environmental and lifestyle factors ranges from 12 to 67%), and (ii) on an individual level, the method also predicts individuals’ inherited genomic susceptibility to acquire the other types ranked with associated probabilities. These probabilities may provide practical information for individuals, heath professionals, and health policymakers related to prevention and/or early intervention of cancer.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

A Mixed-Method Design Approach for Empirically Based Selection of Unbiased Data Annotators

Implicit bias embedded in the annotated data is by far the greatest impediment in the effectual use of supervised machine learning models in tasks involving race, ethics, and geopolitical polarization. For societal good and demonstrable positive impact on wider society, it is paramount to carefully select data annotators and rigorously validate the annotation process. Current approaches to selecting annotators are not sufficiently grounded in scientific principles and are limited at the policy-guidance level, thereby rendering them unusable for machine learning practitioners. This work proposes a new approach based on the mixed-methods design that is functional, adaptable, and simpler to implement in selecting unbiased annotators for any machine learning problem. By demonstrating it on a real-world geopolitical problem, we also identified and ranked key inane profile characteristics towards an empirically-based selection of unbiased data annotators.

Thakur, Gautam Malviya↗

DOE OSTI2018

A learning-based data-driven forecast approach for predicting future reservoir performance

Quantification of the predictive uncertainty of subsurface models has long been investigated. The traditional workflow is to calibrate prior models to match observed data, and then use the posterior models to simulate future system performance. Not only are these procedures computationally expensive, but they also have issues in maintaining geological model constraints during the calibration step. Data space inversion (DSI) was introduced recently to predict future system performance without the iterative history matching or model calibration step. In general, DSI approaches seek to establish a statistical relationship between the observed and forecast variables, as well as to quantify the predictive uncertainty of the forecast variables, by using an ensemble of uncalibrated prior models. Existing DSI approaches all require a number of complex transformation and mapping operations, which may deter their widespread use. Here in this study, we introduce a new and simpler DSI approach, the learning-based, data-driven forecast approach (LDFA), by combining dimension reduction and machine learning techniques to quickly provide accurate forecast results and reliably quantify corresponding uncertainty in the results. Our LDFA framework is demonstrated using two supervised learning algorithms, artificial neural network (ANN) and support vector regression (SVR), on two representative examples from reservoir engineering and geological carbon storage. Results suggest that our approach provides accurate forecast results (e.g., future oil production rate or cumulative injected CO 2 ) and reasonable predictive uncertainty intervals. Our framework is generic and may be applied to other surface and subsurface problems.

42 ENGINEERING↗

NASA NTRS1995

Inductive Approaches to Improving Diagnosis and Design for Diagnosability

The first research area under this grant addresses the problem of classifying time series according to their morphological features in the time domain. A supervised learning system called CALCHAS, which induces a classification procedure for signatures from preclassified examples, was developed. For each of several signature classes, the system infers a model that captures the class's morphological features using Bayesian model induction and the minimum message length approach to assign priors. After induction, a time series (signature) is classified in one of the classes when there is enough evidence to support that decision. Time series with sufficiently novel features, belonging to classes not present in the training set, are recognized as such. A second area of research assumes two sources of information about a system: a model or domain theory that encodes aspects of the system under study and data from actual system operations over time. A model, when it exists, represents strong prior expectations about how a system will perform. Our work with a diagnostic model of the RCS (Reaction Control System) of the Space Shuttle motivated the development of SIG, a system which combines information from a model (or domain theory) and data. As it tracks RCS behavior, the model computes quantitative and qualitative values. Induction is then performed over the data represented by both the 'raw' features and the model-computed high-level features. Finally, work on clustering for operating mode discovery motivated some important extensions to the clustering strategy we had used. One modification appends an iterative optimization technique onto the clustering system; this optimization strategy appears to be novel in the clustering literature. A second modification improves the noise tolerance of the clustering system. In particular, we adapt resampling-based pruning strategies used by supervised learning systems to the task of simplifying hierarchical clusterings, thus making post-clustering analysis easier.

Fisher, Douglas H.↗

DOE OSTI2021

Weakly Supervised Minirhizotron Image Segmentation with MIL-CAM

We present a multiple instance learning class activation map (MIL-CAM) approach for pixel-level minirhizotron image segmentation given weak image-level labels. Minirhizotrons are used to image plant roots in situ. Minirhizotron imagery is often composed of soil containing a few long and thin root objects of small diameter. The roots prove to be challenging for existing semantic image segmentation methods to discriminate. In addition to learning from weak labels, our proposed MILCAM approach re-weights the root versus soil pixels during analysis for improved performance due to the heavy imbalance between soil and root pixels. Furthermore, the proposed approach outperforms other attention map and multiple instance learning methods for localization of root objects in minirhizotron imagery.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Self-supervised Representation Learning for Astronomical Images

Sky surveys are the largest data generators in astronomy, making automated tools for extracting meaningful scientific information an absolute necessity. We show that, without the need for labels, self-supervised learning recovers representations of sky survey images that are semantically useful for a variety of scientific tasks. These representations can be directly used as features, or fine-tuned, to outperform supervised methods trained only on labeled data. We apply a contrastive learning framework on multiband galaxy photometry from the Sloan Digital Sky Survey (SDSS), to learn image representations. We then use them for galaxy morphology classification and fine-tune them for photometric redshift estimation, using labels from the Galaxy Zoo 2 data set and SDSS spectroscopy. In both downstream tasks, using the same learned representations, we outperform the supervised state-of-the-art results, and we show that our approach can achieve the accuracy of supervised models while using 2-4 times fewer labels for training. The codes, trained models, and data can be found at https://portal.nersc.gov/project/dasrepo/self-supervised-learning-sdss.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Detecting technological maturity from bibliometric patterns

We report the capability to identify emergent technologies based upon easily accessed open-source indicators, such as publications, is important for decision-makers in industry and government. The scientific contribution of this work is the proposition of a machine learning approach to the detection of the maturity of emerging technologies based on publication counts. Time-series of publication counts have universal features that distinguish emerging and growing technologies. We train an artificial neural network classifier, a supervised machine learning algorithm, upon these features to predict the maturity (emergent vs. growth) of an arbitrary technology. With a training set comprised of 22 technologies we obtain a classification accuracy ranging from 58.3% to 100% with an average accuracy of 84.6% for six test technologies. To enhance classifier performance, we augmented the training corpus with synthetic time-series technology life cycle curves, formed by calculating weighted averages of curves in the original training set. Training the classifier on the synthetic data set resulted in improved accuracy, ranging from 83.3% to 100% with an average accuracy of 90.4% for the test technologies. The performance of our classifier exceeds that of competing machine learning approaches in the literature, which report an average classification accuracy of only 85.7% at maximum. Moreover, in contrast to current methods our approach does not require subject matter expertise to generate training labels, and it can be automated and scaled.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Decoding Ethiopian Abodes: Towards Classifying Buildings by Occupancy Type Using Footprint Morphology

Building occupancy classification plays a crucial role in urban planning, disaster management, and population modeling. Traditional methods often require extensive field surveys or detailed datasets, which can be time-consuming, expensive, and may yield incomplete or erroneous data. In this paper, we present a novel approach for classifying buildings as residential or non-residential using only building footprint data. By extracting geometric shape derivatives that characterize building morphology, we developed a high-accuracy classification model employing a combination of unsupervised and supervised learning methods. We utilized open-source data from Open Street Map, aggregating it to create binary labels for buildings based on their respective human use type. Our approach demonstrates the potential for scalability without the need for additional data sources other than building footprints and labels, offering a more efficient solution for building occupancy classification.

Adams, Daniel↗

DOE OSTI2026

Improving neutrino oscillation measurements through event classification

Precise neutrino energy reconstruction is essential for next-generation long-baseline oscillation experiments, yet current methods remain limited by large uncertainties in neutrino-nucleus interaction modeling. Even so, it is well established that different interaction channels produce systematically varying amounts of missing energy and therefore yield different reconstruction performance–information that standard calorimetric approaches do not exploit. We introduce a strategy that incorporates this structure by classifying events according to their underlying interaction type prior to energy reconstruction. Using supervised machine-learning techniques trained on labeled generator events, we leverage intrinsic kinematic differences among quasielastic scattering, meson-exchange current, resonance production, and deep-inelastic scattering processes. A cross-generator testing framework demonstrates that this classification approach is robust to microphysics mismodeling and, when applied to a simulated DUNE 𝜈 𝜇 disappearance analysis, yields improved accuracy and sensitivity at the 10%–20% level. These results highlight a practical path toward reducing reconstruction-driven systematics in future oscillation measurements.

Ellis, Sebastian A. R. [King's College, London (Un↗