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DOE OSTI2020

ENSIGN

ENSIGN is a data analytics software package offering a modern unsupervised machine learning solution for scalable discovery in Big Data. The analytics in ENSIGN are based on an advanced mathematical tool called tensor decomposition and they are optimized to run efficiently on a range of computing platforms (from small multicore Desktop platforms to large Supercomputing clusters and novel high-end memory-driven computing platforms such as HPE Superdome Flex). ENSIGN enables the user to extract deep insights from the entirety of massive-scale (100s of Gigabytes or Terabytes scale) multidimensional data. ENSIGN uncovers latent patterns in data without the user having to specify or describe what the patterns are; the user, in the first place, may not even know such patterns existed and that they have to look for such patterns. The insights gained from ENSIGN could be trailheads that can be used as starting points for deeper forensic investigation.

Baskaran, Muthu↗

DOE OSTI2022

ENSIGN

Baskaran, Muthu↗

DOE OSTI2019

Situational Awareness of Network System Roles (SANSR)

In a large enterprise it is difficult for cyber security analysts to know what services and roles every machine on the network is performing (e.g. file server, domain name server, email server). Understanding the roles of the systems in the network provides analysts with a situational awareness that will allow them to detect consequential changes in the network, initiate an incident response plan, and optimize their security posture. Using the network flow data, already collected by most enterprises, we developed a tool that enables analysts to automatically detect/classify services and roles of every machine that’s operating on a network (e.g. file server, domain name server, email server) for better situational awareness of potential threats to the network. his tool queries Elasticsearch for network flow data, creates a temporal behavior model of each system, uses unsupervised machine learning to cluster the models with a set of labeled temporal behavior models, and the resulting information can be printed to the console or programmatically accessed. The results include the likelihood that a machine has a labeled role and lists other machines that are most similar in behavior.

Huffer, KellyM.↗

DOE OSTI2021

Dynamic Ride-Matching for Large-Scale Transportation Systems

Efficient dynamic ride-matching (DRM) in large-scale transportation systems is a key driver in transport simulations to yield answers to challenging problems. Although the DRM problem is simple to solve, it quickly becomes a computationally challenging problem in large-scale transportation system simulations. Therefore, this study thoroughly examines the DRM problem dynamics and proposes an optimization-based solution framework to solve the problem efficiently. To benefit from parallel computing and reduce computational times, the problem’s network is divided into clusters utilizing a commonly used unsupervised machine learning algorithm along with a linear programming model. Then, these sub-problems are solved using another linear program to finalize the ride-matching. At the clustering level, the framework allows users adjusting cluster sizes to balance the trade-off between the computational time savings and the solution quality deviation. A case study in the Chicago Metropolitan Area, U.S., illustrates that the framework can reduce the average computational time by 58% at the cost of increasing the average pick up time by 26% compared with a system optimum, that is, non-clustered, approach. Another case study in a relatively small city, Bloomington, Illinois, U.S., shows that the framework provides quite similar results to the system-optimum approach in approximately 62% less computational time.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2021

Optimal dimensionality selection for independent component analysis of transcriptomic data

Independent component analysis is an unsupervised machine learning algorithm that separates a set of mixed signals into a set of statistically independent source signals. Applied to high-quality gene expression datasets, independent component analysis effectively reveals both the source signals of the transcriptome as co-regulated gene sets, and the activity levels of the underlying regulators across diverse experimental conditions. Two major variables that affect the final gene sets are the diversity of the expression profiles contained in the underlying data, and the user-defined number of independent components, or dimensionality, to compute. Availability of high-quality transcriptomic datasets has grown exponentially as high-throughput technologies have advanced; however, optimal dimensionality selection remains an open question. We computed independent components across a range of dimensionalities for four gene expression datasets with varying dimensions (both in terms of number of genes and number of samples). We computed the correlation between independent components across different dimensionalities to understand how the overall structure evolves as the number of user-defined components increases. We then measured how well the resulting gene clusters reflected known regulatory mechanisms, and developed a set of metrics to assess the accuracy of the decomposition at a given dimension. We found that over-decomposition results in many independent components dominated by a single gene, whereas under-decomposition results in independent components that poorly capture the known regulatory structure. From these results, we developed a new method, called OptICA, for finding the optimal dimensionality that controls for both over- and under-decomposition. Specifically, OptICA selects the highest dimension that produces a low number of components that are dominated by a single gene. We show that OptICA outperforms two previously proposed methods for selecting the number of independent components across four transcriptomic databases of varying sizes. OptICA avoids both over-decomposition and under-decomposition of transcriptomic datasets resulting in the best representation of the organism’s underlying transcriptional regulatory network.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Anomaly Detection and Identification Using a Leave-One-Variable-Out Method

At nuclear power plants (NPPs), anomaly detection and identification (i.e., determining the causes of anomalies) are important tasks for ensuring the safe and efficient operation of NPPs. These tasks are currently labor-intensive and costly, and are made more difficult by the size and complexity of NPP systems. An alternative approach to conducting these tasks is to automate them, such as via the reconstruction-based contribution method, which is a well-researched unsupervised machine learning method that uses a data-driven model of anomaly-free behavior to detect events and then identify each variable’s contributions to those events. The present effort developed a novel contribution approach that utilized a leave-one-variable-out (LOVO) model, with which each variable is predicted using all the other variables. The novelty lay in transforming this model into a reconstruction model and modifying the identification algorithm to work with the new reconstruction model. To evaluate this method in a controlled environment, a synthetic dataset based on spring-mass-damper (SMD) systems (commonly found in mechanical engineering references) was used, with known anomalies introduced into the system. The proposed method successfully detected the anomalies and afforded insights into their causes, thus enabling the appropriate identifications to be made.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2014

Encoding and Analyzing Aerial Imagery Using Geospatial Semantic Graphs

While collection capabilities have yielded an ever-increasing volume of aerial imagery, analytic techniques for identifying patterns in and extracting relevant information from this data have seriously lagged. The vast majority of imagery is never examined, due to a combination of the limited bandwidth of human analysts and limitations of existing analysis tools. In this report, we describe an alternative, novel approach to both encoding and analyzing aerial imagery, using the concept of a geospatial semantic graph. The advantages of our approach are twofold. First, intuitive templates can be easily specified in terms of the domain language in which an analyst converses. These templates can be used to automatically and efficiently search large graph databases, for specific patterns of interest. Second, unsupervised machine learning techniques can be applied to automatically identify patterns in the graph databases, exposing recurring motifs in imagery. We illustrate our approach using real-world data for Anne Arundel County, Maryland, and compare the performance of our approach to that of an expert human analyst.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

PANTHER: Trajectory Analysis

We want to organize a body of trajectories in order to identify, search for, classify and predict behavior among objects such as aircraft and ships. Existing comparison functions such as the Fréchet distance are computationally expensive and yield counterintuitive results in some cases. We propose an approach using feature vectors whose components represent succinctly the salient information in trajectories. These features incorporate basic information such as total distance traveled and distance between start/stop points as well as geometric features related to the properties of the convex hull, trajectory curvature and general distance geometry. Additionally, these features can generally be mapped easily to behaviors of interest to humans that are searching large databases. Most of these geometric features are invariant under rigid transformation. We demonstrate the use of different subsets of these features to identify trajectories similar to an exemplar, cluster a database of several hundred thousand trajectories, predict destination and apply unsupervised machine learning algorithms.

42 ENGINEERING↗

DOE OSTI2018

A Scalable HPC Insider Threat Monitoring System

Cyber Equations, Inc. is reporting on the results of its DOE SBIR Phase I project for the development of a Scalable HPC Insider Threat Monitoring System. This final report to the Department of Energy for Task DE-FOA-0001618 covers the period from 02/21/2017 to 02/20/2018 and summarizes the larger research accomplishments, which can be divided in theoretical and laboratory experiments. One of the many challenges for the U.S. Department of Energy (DOE) is the support of the high-performance computing (HPC) centers while providing quality information services, strategic vision, leadership, technical expertise, and capabilities necessary to enable the DOE to deliver effective, efficient, economical, and secure HPC services. In order to realize a secure DOE laboratory enterprise, DOE facilities operations must counter a wide range of cyber insider threats, from unsophisticated adversaries up to advanced, nation state sponsored actors. The DOE laboratories also presents an enormous insider attack surface of an ever-growing number of computers, networks, and devices all running a myriad of software. In addition, the DOE laboratories are connected to a variety of external organizations which multiplies the possibility of insider threat. During this SBIR project Cyber Equations developed a strategic combination of supervised and unsupervised machine learning techniques to control scale and classify whether entities, such as hosts, actors, or documents, are showing suspicious insider behavior. We conducted experiments using real cyber data to show that changes in observable behavior (e.g., changes in outbound traffic patterns) are indicative of attacks executing (e.g., insiders exfiltrating data, bots calling home, or an attack spreading). The features and methods we use, have been used in the anomaly detection research and development community for a significant amount of time and robust implementations are openly available. K-Means clustering, Decision Trees, and Support Vector Machine based classifiers are readily available through the R language and open source H20 machine learning framework. The Cyber Equations approach is novel in its use of these classifiers combined with Hadoop based parallel processing technology. The five stages of processing used by CyberInsider improve scalability and reduce the high number of false positives normally associated with network anomaly detection. In summary, the Cyber Equations has successfully accomplished all of its Phase I tasks and demonstrated the feasibility of the Insider Threat Monitoring System.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

On AI Prediction of Hydrological Processes Based on Integration of Retrospective and Forecasting ML Techniques

Focus areas: (1) Data assimilation enabled by machine learning, unsupervised learning (including deep learning), and (2) Predictive modeling through the use of AI techniques and AI-derived model components, comprising a hierarchy of models.

58 GEOSCIENCES↗

DOE OSTI2021

Performance of Compact Pulsed Thermal Imaging System for In-Service Applications. Pulsed thermal tomography nondestructive examination of additively manufactured reactor materials and components

Additive manufacturing (AM) is an emerging method for cost-efficient fabrication of complex topology nuclear reactor parts from high-strength corrosion resistance alloys, such as stainless steel and Inconel. AM of metallic structures for nuclear energy applications is currently based on laser powder bed fusion (LPBF) process, which has the capability of melting metallic powder and net shaping the structures with relatively high precision. Some of the challenges with using LPBF method for nuclear manufacturing include the possibility of introducing pores into metallic structures. Integrity of AM structures needs to be evaluated nondestructively because material flaws could lead to premature failures due to creep in high temperature nuclear reactor environment. Currently, there exist limited capabilities to evaluate actual AM structures nondestructively. Pulsed Thermography (PT) imaging provides a capability for non-destructive evaluation (NDE) of sub-surface defects in arbitrary size structures. The PT method is based on recording material surface temperature transients with infrared (IR) camera following thermal pulse delivered on material surface with flash light. The PT method has advantages for NDE of actual AM structures because the method involves one-sided non-contact measurements and fast processing of large sample areas captured in one image. The data cube of PT measurements consists of surface temperature taken at sequential time intervals T(x,y,t). Material defects can be detected either by analyzing the thermograms T(x,y,t) data cube, or by using thermal tomography (TT) algorithm to obtain 3D spatial reconstruction of thermal effusivity e(x,y,z). To reduce the cost and enable in-service NDE in spatially constrained environment, it is highly desirable to develop PT with compact and inexpensive IR camera. Following initial qualification of an AM component for deployment in a nuclear reactor, a compact PT system can also be used for in-service nondestructive evaluation (NDE) applications. However, data cube obtained with PT based on compact IR camera suffers from strong thermal noises and loss of features due to relatively low sampling rate. In this report we describe two unsupervised machine learning (ML) algorithms for enhancement of PT images obtained with compact IR camera. In one approach, we introduce Sparse Coding Discrete Cosine Transform (SC/DCT) algorithm to remove additive white Gaussian noise (AWGN) from spatial thermal effusivity reconstructions. In another approach we introduce a Spatial Temporal Denoised Thermal Source Separation (STDTSS) ML algorithm to process thermograms. The STDTSS algorithm consists of spatial and temporal denoising using Gaussian and Savitzky–Golay filtering, followed by the matrix decomposition using Principal Component Analysis (PCA), and Independent Component Analysis (ICA) to automatically detect flaws. In the work described in this report, we constructed a compact PT system using a relatively small and low-cost FLIR A65 camera, consisting on uncooled microbolometer detector. Performance of SC/DCT algorithm was demonstrated on enhancing TT images of Inconel 718 AM plate. Performance of the STDTSS methods was investigated using thermography data obtained from imaging stainless steel 316L specimens produced with LPBF method with imprinted calibrated porosity defects.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Performance Validation of Pulsed Thermal Imaging System for In-Service Applications

42 ENGINEERING↗

DOE OSTI2021

Pulsed Thermal Tomography Nondestructive Examination of Additively Manufactured Reactor Materials and Components. Third Annual Progress Report

Additive manufacturing (AM) of high-strength corrosion resistance alloys for nuclear energy applications, such as stainless steel and Inconel, is currently based on laser powder bed fusion (LPBF) process. Some of the challenges with using LPBF method for nuclear manufacturing include the possibility of introducing pores into metallic structures. Probability of crack initiation at the pore depends on size, shape, and orientation of the defect. Pulsed Infrared Thermography Imaging (PIT) provides a capability for non-destructive evaluation (NDE) of sub-surface defects in arbitrary size structures. The PIT method is based on recording material surface temperature transients with infrared (IR) camera following thermal pulse delivered on material surface with flash light. The PIT method has advantages for NDE of actual AM structures because the method involves one-sided non-contact measurements and fast processing of large sample areas captured in one image. Following initial qualification of an AM component for deployment in a nuclear reactor, a PIT system can also be used for in-service nondestructive evaluation (NDE) applications. In this report, we describe recent progress in enhancing PIT capabilities in detecting microscopic subsurface defects in metals, and classifying shapes and orientation of pores in thermal images. For detection of microscopic defects in PIT imaging data, we have developed Spatial Temporal Denoised Thermal Source Separation (STDTSS) unsupervised machine learning (ML) image processing algorithm. We show that flat bottom hole (FBH) defects as small as 200µm in SS316 and IN718 specimens, can be detected with STDTSS algorithm. To the best of our knowledge, these are the smallest detected defects which are reported in literature. For classification of defects shapes, we have previously developed thermal tomography (TT) algorithm to obtain depth reconstructions of material defects from data cube of sequentially recorded surface temperatures. However, interpretation of TT images is non-trivial because of blurring with increasing depth. To address this challenge, we have developed a deep learning convolutional neural network (CNN) to classify size and orientation subsurface defects in simulated TT images.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Detection of Anomalies in Gamma Background Radiation Data with K-Means and Self-Organizing Map Clustering Algorithms (Consortium on Nuclear Security Technologies (CONNECT) Q1 Report)

Environmental screening of gamma radiation consists of detecting weak nuisance and anomaly signal in the presence of strong and highly varying background. In a typical scenario, a mobile detector-spectrometer continuously measures gamma radiation spectra in short, e.g., one-second, signal acquisition intervals. The measurement data is a 2D matrix, where one dimension is gamma ray energy, and the other dimension is the number of measurements or total time. In principle, gamma radiation sources can be detected and identified from the measured data by their unique spectral lines. Detecting sources from data measured in a search scenario is difficult due to the highly varying background because of naturally occurring radioactive material (NORM), and low signal-to-noise ratio (S/N) of spectral signal measured during one-second acquisition intervals. The objective of this work is to explore unsupervised machine learning (ML) algorithms for detection and identification of weak nuisances and anomalies events in the presence of highly fluctuating background. The challenge is that spectral lines of isotopes are difficult to observe in one-second measurements. Averaging over the entire measurement campaign data set reveals spectral lines of most common background isotopes. Spectral lines of orphan sources, which might appear only in a few measurements during the campaign, will be washed out if averaging is performed over the entire measurement data set. The approach we have explored consists of extracting one-second measurements containing weak spectral features through data clustering. Averaging one-second spectra in a cluster should reveal the presence of anomaly sources. We created two ML models using K-means clustering and Neural Network Self-organizing Map (SOM). Performance of these ML models was benchmarked using search data. One data set contained 137 Cs source, and another dataset contained 131 I source.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2022

Exploring New Ways to Classify Industries for Energy Analysis and Modeling

As the US moves closer to embracing a net zero greenhouse gas emissions position, combustion processes outside the power sector are becoming urgent concerns. Industry is an important end user of energy and relies on fossil fuels used directly for process heating and as feedstocks for a diverse range of applications. Fuel and energy use by industry is heterogeneous, meaning that even a single product group can vary broadly in its production routes and associated energy usage. In the US, the North American Industry Classification System (NAICS) serves as the basis for data collection and reporting. In turn, data based on NAICS is the foundation of most US energy modeling. Thus, the effectiveness of NAICS at representing energy use is a limiting condition for plans to improve energy efficiency and alternatives to fossil fuels in industry. Facility-level data to build more detail into heterogeneous sectors is scarce. This work explores alternative classification schemes for industry based on energy use characteristics, and provides a validation of an approach to make facility-level energy use estimates based on publicly available data from the greenhouse gas reporting program. First, several approaches to industrial taxonomies and their usefulness for industrial energy modeling are summarized. Data from Industrial Assessment Centers is analyzed using unsupervised machine learning techniques to detect clusters. Cladistics, an approach from biology, is adapted to energy and process characteristics of industries. A cladogram is presented for evolutionary directions in the iron and steel sector. Cladograms are a promising tool for constructing scenarios and summarizing directions of sectoral innovation. Finally, validation is performed for facility-level energy estimates from the US EPA Greenhouse Gas Reporting Program. This validation assists in making this data source available for use in energy modeling. Together, this work explores alternative approaches for categorizing industries in a way that aids understanding energy use, and presenting pathways for the future.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2024

Behavioral Segmentation and Clustering of Geospatial Trajectories

The rapid growth of global positioning system (GPS) devices has led to a corresponding increase in the size of GPS datasets. While these large GPS datasets contain a wealth of information about the behaviors of the moving objects in them, manual classification and anomaly detection are prohibitively time consuming. We utilize unsupervised machine learning techniques to first identify the behaviors for individual moving objects and then cluster those objects by their behavioral sequences. In this way, trajectories behaving unusually as well as common patterns of behavior are both detectable in large datasets without requiring an a priori definition of "unusual" or "common."

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Flat and Level Analysis Tool (FLAT) for real-time automated segmentation and analysis of concrete slab point clouds

In the United States, the flatness and levelness of concrete floors during construction is traditionally specified by a maximum allowable gap under a 3 meter straightedge. However, the straightedge method is inexact and rarely representative of the entire floor since the technician is free to choose any location on the floor to perform the measurement. In cases requiring a higher degree of precision and repeatability, concrete floor flatness and levelness can be measured using the standard test method ASTM E1155. With the recent introduction of advanced surveying instruments such as robotic theodolites and terrestrial laser scanners (TLS), the means now exist to modernize and expedite the measurement of floor flatness and levelness. This paper details the development and demonstration of a digital tool, named the Flat and Level Analysis Tool (FLAT), to automate and expedite the segmentation and analysis of flatness and levelness from dense point cloud data of concrete floor slabs. Segmentation algorithms were developed using unsupervised machine learning to extract the set of points belonging to the concrete floor slab from a full 360 scan of a construction site. After segmentation, automated analysis algorithms report the results according to the standard method. The developed algorithms were demonstrated on a dense point cloud captured from a concrete slab-on-grade at a construction site. Results show that the digital tool can quickly provide estimates for floor flatness and levelness with minimal human involvement with comparable accuracy to manual methods.

Hayes, Nolan↗

DOE OSTI2015

Discovering multi-scale co-occurrence patterns of asthma and influenza with the Oak Ridge bio-surveillance toolkit

Here, we describe a data-driven unsupervised machine learning approach to extract geo-temporal co-occurrence patterns of asthma and the flu from large-scale electronic healthcare reimbursement claims (eHRC) datasets. Specifically, we examine the eHRC data from 2009 to 2010 pandemic H1N1 influenza season and analyze whether different geographic regions within the United States (US) showed an increase in co-occurrence patterns of the flu and asthma. Our analyses reveal that the temporal patterns extracted from the eHRC data show a distinct lag time between the peak incidence of the asthma and the flu. While the increased occurrence of asthma contributed to increased flu incidence during the pandemic, this co-occurrence is predominant for female patients. The geo-temporal patterns reveal that the co-occurrence of the flu and asthma are typically concentrated within the south-east US. Further, in agreement with previous studies, large urban areas (such as New York, Miami, and Los Angeles) exhibit co-occurrence patterns that suggest a peak incidence of asthma and flu significantly early in the spring and winter seasons. Together, our data-analytic approach, integrated within the Oak Ridge Bio-surveillance Toolkit platform, demonstrates how eHRC data can provide novel insights into co-occurring disease patterns.

60 APPLIED LIFE SCIENCES↗