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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2

Machine Learning Based Resilience Testing of an Address Randomization Cyber Defense

Moving target defenses (MTDs) are widely used as an active defense strategy for thwarting cyberattacks on cyber-physical systems by increasing diversity of software and network paths. Recently, machine Learning (ML) and deep Learning (DL) models have been demonstrated to defeat some of the cyber defenses by learning attack detection patterns and defense strategies. It raises concerns about the susceptibility of MTD to ML and DL methods. Here, in this article, we analyze the effectiveness of ML and DL models when it comes to deciphering MTD methods and ultimately evade MTD-based protections in real-time systems. Specifically, we consider a MTD algorithm that periodically randomizes address assignments within the MIL-STD-1553 protocol—a military standard serial data bus. Two ML and DL-based tasks are performed on MIL-STD-1553 protocol to measure the effectiveness of the learning models in deciphering the MTD algorithm: 1) determining whether there is an address assignments change i.e., whether the given system employs a MTD protocol and if it does 2) predicting the future address assignments. The supervised learning models (random forest and k-nearest neighbors) effectively detected the address assignment changes and classified whether the given system is equipped with a specified MTD protocol. On the other hand, the unsupervised learning model (K-means) was significantly less effective. The DL model (long short-term memory) was able to predict the future addresses with varied effectiveness based on MTD algorithm's settings.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Studying language evolution in the age of big data

The increasing availability of large digital corpora of cross-linguistic data is revolutionizing many branches of linguistics. Overall, it has triggered a shift of attention from detailed questions about individual features to more global patterns amenable to rigorous, but statistical, analyses. This engenders an approach based on successive approximations where models with simplified assumptions result in frameworks that can then be systematically refined, always keeping explicit the methodological commitments and the assumed prior knowledge. Therefore, they can resolve disputes between competing frameworks quantitatively by separating the support provided by the data from the underlying assumptions. These methods, though, often appear as a ‘black box’ to traditional practitioners. In fact, the switch to a statistical view complicates comparison of the results from these newer methods with traditional understanding, sometimes leading to misinterpretation and overly broad claims. We describe here this evolving methodological shift, attributed to the advent of big, but often incomplete and poorly curated, data, emphasizing the underlying similarity of the newer quantitative to the traditional comparative methods and discussing when and to what extent the former have advantages over the latter. In this review, we cover briefly both randomization tests for detecting patterns in a largely model-independent fashion and phylolinguistic methods for a more model-based analysis of these patterns. We foresee a fruitful division of labor between the ability to computationally process large volumes of data and the trained linguistic insight declaring worthy prior commitments and interesting hypotheses in need of comparison.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Nature and Consequences of Biological Reductionism for the Immunological Study of Infectious Diseases

Evolution has conserved “economic” systems that perform many functions, faster or better, with less. For example, three to five leukocyte types protect from thousands of pathogens. In order to achieve so much with so little, biological systems combine their limited elements, creating complex structures. Yet, the prevalent research paradigm is reductionist. Focusing on infectious diseases, reductionist and non-reductionist views are here described. Furthermore, the literature indicates that reductionism is associated with information loss and errors, while non-reductionist operations can extract more information from the same data. When designed to capture one-to-many/many-to-one interactions—including the use of arrows that connect pairs of consecutive observations—non-reductionist (spatial–temporal) constructs eliminate data variability from all dimensions, except along one line, while arrows describe the directionality of temporal changes that occur along the line. To validate the patterns detected by non-reductionist operations, reductionist procedures are needed. Integrated (non-reductionist and reductionist) methods can (i) distinguish data subsets that differ immunologically and statistically; (ii) differentiate false-negative from -positive errors; (iii) discriminate disease stages; (iv) capture in vivo, multilevel interactions that consider the patient, the microbe, and antibiotic-mediated responses; and (v) assess dynamics. Integrated methods provide repeatable and biologically interpretable information.

59 BASIC BIOLOGICAL SCIENCES↗

Predictive model for real-time energy disaggregation using long short-term memory

To provide affordable energy-saving solutions for the small and medium-sized manufacturers (SMMs), we propose a unified framework for generating predictive models that support real-time disaggregation of power consumption from combined inputs, enabling automatic machine state identification simultaneously for joint analysis of energy usage patterns. Further, the proposed framework transforms raw power consumption into a time series with look-back and bootstrap capabilities for historical pattern detection, while a learning architecture utilizes the stacked long short-term memory (LSTM) layers as encoders for embedding generation with sequential awareness. Experimental results demonstrate 93.65% minimum accuracy in ideal case of real-time energy usage and machine state prediction.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Machine learning materials physics: Surrogate optimization and multi-fidelity algorithms predict precipitate morphology in an alternative to phase field dynamics

Machine learning has been effective at detecting patterns and predicting the response of systems that behave free of natural laws. Examples include learning crowd dynamics, recommender systems and autonomous mobility. There also have been applications to the search for new materials that draw upon big-data classification problems. Though, when it comes to physical systems governed by conservation laws, the role of machine learning has been more limited. Here, we present our recent work in exploring the role of machine learning methods in discovering, or aiding, the search for physics. Specifically, we focus on using machine learning algorithms to represent high-dimensional free energy surfaces with the goal of identifying precipitate morphologies in alloy systems. Traditionally, this problem has been approached by combining phase field models, which impose first-order dynamics, with elasticity, to traverse a free energy landscape in search of minima. Equilibrium precipitate morphologies occur at these minima. Here, we exploit the machine learning methods to represent high-dimensional data, combined with surrogate optimization, sensitivity analysis and multifidelity modeling as an alternate framework to explore phenomena controlled by energy extremization. This combination of data-driven methods offers an alternative to the imposition of first-order dynamics via phase field methods, and represents one aspect of applying machine learning to materials physics.

42 ENGINEERING↗

Predicting the Activity and Selectivity of Bimetallic Metal Catalysts for Ethanol Reforming using Machine Learning

Machine learning is ideally suited for the pattern detection in large uniform datasets, but consistent experimental datasets on catalyst studies are often small. Here we demonstrate how a combination of machine learning and first-principles calculations can be used to extract knowledge from a relatively small set of experimental data. The approach is based on combining a complex machine-learning model trained on an extensive computational library of transition-state energies with simple linear regression models of experimental catalytic activities and selectivities from the literature. Using the combined model, we identify the key C–C bond scission reactions involved in ethanol reforming and perform a computational screening for ethanol reforming on monolayer bimetallic catalysts with architectures TM-Pt-Pt(111) and Pt-TM-Pt(111) (TM = 3d transition metals). The model also predicts four promising catalyst compositions for future experimental studies. In conclusion, the approach is not limited to ethanol reforming but is of general use for the interpretation of experimental observations as well as for the computational discovery of novel catalytic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

PlasmidHostFinder: Prediction of Plasmid Hosts Using Random Forest

Plasmids play a major role facilitating the spread of antimicrobial resistance between bacteria. Understanding the host range and dissemination trajectories of plasmids is critical for surveillance and prevention of antimicrobial resistance. Identification of plasmid host ranges could be improved using automated pattern detection methods compared to homology-based methods due to the diversity and genetic plasticity of plasmids. In this study, we developed a method for predicting the host range of plasmids using machine learning—specifically, random forests. We trained the models with 8,519 plasmids from 359 different bacterial species per taxonomic level; the models achieved Matthews correlation coefficients of 0.662 and 0.867 at the species and order levels, respectively. Our results suggest that despite the diverse nature and genetic plasticity of plasmids, our random forest model can accurately distinguish between plasmid hosts. This tool is available online through the Center for Genomic Epidemiology (https://cge.cbs.dtu.dk/services/PlasmidHostFinder/).

59 BASIC BIOLOGICAL SCIENCES↗

A Unidirectional Two-Compartment Neuron Circuit with On-chip STDP learning

Most neuromorphic chips implement the single-compartment point neuron model where synapse circuits connect directly to a leaky integrate and fire (LIF) soma circuit. However, when using a biologically plausible soma circuit (e.g., Hodgkin-Huxley neuron model), an interface circuitry, such as a current conveyor circuit, is needed to transmit synaptic current to the soma circuit. This is especially true for ultra-low power neuron circuits, where membrane capacitance is on the order of 20 fF. This need for an interface circuit arises because the parasitic capacitance and leakage current caused by fabrication mismatch and second-order effects of the output transistors in the synapse circuits can disturb the spiking dynamics of the soma circuit if connected without an interface. Using an interface circuit to isolate the soma’s membrane capacitor from synapses resolves this issue. We propose to use a unidirectional resistor (a transconductance circuit) to connect the synapse and soma circuits instead of conventional current conveyor circuits. Using a biologically plausible spike pattern detection model, we show that the on-chip spike-timing-dependent plasticity (STDP) learning performance of the proposed unidirectional two-compartment neuron circuit is similar to a single-compartment circuit (with a current conveyor as an interface) and additionally, it is more power-efficient and biologically plausible. The chip is fabricated in the Taiwan Semiconductor Manufacturing Company (TSMC) 250 nm technology node and comprises a single neuron circuit.

Gautam, Ashish [ORNL]↗

ML for microbiomes

The software provides machine learning analysis and visualization to detect patterns in microbiome data, including topic modeling, probabilistic graphical modeling, conventional machine learning methods, and deep learning. The software is written in python and R, it uses some python and R libraries as well as big open-source libraries like sklearn, networkX, pytorch (python), pgmpy (python), and bnlearn (R). It also has a script to use for MALLET and DTM (open-source packages for topic modeling, written in Java).

Kim, Anastasiia↗

Machine learning tools for epigenetics

The software provides machine learning analysis and visualization to detect patterns in epigenetic data, including conventional machine learning and statistical methods, and open-source packages like pyBigWig (https://github.com/deeptools/pyBigWig) for data processing. The software is written in python, it uses some python libraries.

Kim, Anastasiia↗

Autonomous Anomaly Detection For Continuous Streams

The code implements the Isolation Forest (IFML) algorithm within the digital twin (DT) of the AGN-201 nuclear reactor. The DT captures real-time operational data including control rod positions, reactor power, and temperature. The IFML model isolates anomalies by detecting patterns that deviate from expected operational behavior. The algorithm recursively partitions the data and assigns anomaly scores based on the isolation of rare and different events. By tuning parameters specific to the reactor’s operational data, the IFML identifies deviations such as unauthorized material insertions or reactor reactivity shifts. The system streams data using LabView and integrates with the DeepLynx data warehouse for anomaly processing.

Trevino, Eduardo↗

CHMMPY: A python package for constrained Hidden Markov Models

SAND2025-11909O chmmpy software analyzes multivariate timeseries data to detect patterns. It uses a Hidden Markov Model (HMM) and application-specific constraints that reflect known relationships among hidden states to accomplish this. The chmmpy software provides a generic framework for expressing application-specific constraints and supporting constrained HMM inference using optimization solvers. chmmpy is available on GitHub. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Hart, William↗

Deep Neural Network High Spatiotemporal Resolution Precipitation Estimation (Deep-STEP) Using Passive Microwave and Infrared Data

Recent developments in “headline-making” deep neural networks (DNNs), specifically convolutional neural networks (CNNs), along with advancements in computational power, open great opportunities to integrate massive amounts of real-time observations to characterize spatiotemporal structures of surface precipitation. This study aims to develop a CNN algorithm, named Deep Neural Network High Spatiotemporal Resolution Precipitation Estimation (Deep-STEP), that ingests direct satellite passive microwave (PMW) brightness temperatures (Tbs) at emission and scattering frequencies combined with infrared (IR) Tbs from geostationary satellites and surface information to automatically extract geospatial features related to the precipitable clouds. These features allow the end-to-end Deep-STEP algorithm to instantaneously map surface precipitation intensities with a spatial resolution of 4 km. The main advantages of Deep-STEP, as compared to current state-of-the-art techniques, are 1) it learns and estimates complex precipitation systems directly from raw measurements in near–real time, 2) it uses the automatic spatial neighborhood feature extraction approach, and 3) it fuses coarse-resolution PMW footprints with IR images to reliably retrieve surface precipitation at a high spatial resolution. We anticipate our proposed DNN algorithm to be a starting point for more sophisticated and efficient precipitation retrieval systems in terms of accuracy, fine spatial pattern detection skills, and computational costs.

54 ENVIRONMENTAL SCIENCES↗

COVID-19 Data Curation Effort: An Initial Analysis of the Data

During the COVID-19 pandemic of 2020, major case reporting outlets quickly coalesced around two or three primary vendors. Johns Hopkins University and The New York Times were among the more prominent, and all were of great value to the nation, particularly during the uncertain early stages of the pandemic. They primarily focused on three major attributes: number of new cases, deaths, and recovery. Recognizing that many states were reporting very detailed data sets (e.g., hospital beds) at a county level or finer, the ORNL Pandemic Modeling team embarked on a major data curation effort from March to June 2020 for the purpose of capturing this wealth of detailed data. The challenge of curating this data was daunting. The number of attributes reported by the states grew on almost on a weekly basis. States were routinely shifting their web tool strategies away from easily parsable HTML-based formatting to new Tableau and ArcGIS content. This growth in the sheer number of attributes, combined with the unpredictable shifts in data format, meant an aggressive and agile combination of automated scripting and manual scraping was required to capture new daily streams. Further, the team had to scale up staff and widen its approach for capture and storage. As a result, the team collected more than 11 million data points. Following the close of this data collection effort on June 30 th , 2020, the team embarked on a major effort to appraise what had been collected, including an inventory list, spatial completeness, temporal completeness, scale and geographic characteristics, and a determination. A report on this matter was submitted on September 15 th , 2020, titled “DOE COVID-19 Data Curation Effort: Overview of Data Collection Coverage”. Over 2000 unique attributes had been netted over a wide range of spatial scales, including state, county, zip codes, health regions, and census blocks. Over 11 million individual data points were collected across these attributes, and spatial coverage (in total) included all 50 states and multiple territories. What became apparent in the process is that in the absence of any data standards, many states reported a wide variety of unique attributes that were not always compatible with attributes reported in other states. As time continued, states began adding new attributes and offering finer grain detail in some older attributes. This meant that not all data streams existed for the entire time period; in fact, the number tended to increase dramatically towards the end. Often, states would begin an attribute series and then stop altogether. These highly variable and uncertain conditions illuminated the need for harmonization approaches that would reconcile and conflate changing attribute names and detail over time. For example, grouping racial data reported as either Black or African American, depending on the state, into a single harmonized attribute. These choices would make a within-state analysis possible during the time period and lead to potential between-state analytics later on. This was almost entirely a manual decision process, requiring some subjective decision-making at times, to prevent a fragmented, short-lived collection of time series fragments that would offer few insights into trends, patterns, and correlates. This report imports harmonized data for state and county into the World Spatio-Temporal Analytics and Mapping Project (WSTAMP). WSTAMP is a major space-time analysis and visualization tool developed at ORNL for the National Geospatial-Intelligence Agency specifically for this kind of exploratory analysis. WSTAMP offers a rich analytical and graphical environment consisting of a wide range of analytics. These include time series plots, statistical summaries, data mining techniques, trend and pattern detection, and hypothesis generation.

59 BASIC BIOLOGICAL SCIENCES↗

Deep Packet/Flow Analysis using GPUs

Deep packet inspection (DPI) faces severe performance challenges in high-speed networks (40/100 GE) as it requires a large amount of raw computing power and high I/O throughputs. Recently, researchers have tentatively used GPUs to address the above issues and boost the performance of DPI. Typically, DPI applications involve highly complex operations in both per-packet and per-flow data level, often in real-time. The parallel architecture of GPUs fits exceptionally well for per-packet network traffic processing. However, for stateful network protocols such as TCP, their data stream need to be reconstructed in a per-flow level to deliver a consistent content analysis. Since the flow-centric operations are naturally antiparallel and often require large memory space for buffering out-of-sequence packets, they can be problematic for GPUs, whose memory is normally limited to several gigabytes. In this work, we present a highly efficient GPU-based deep packet/flow analysis framework. The proposed design includes a purely GPU-implemented flow tracking and TCP stream reassembly. Instead of buffering and waiting for TCP packets to become in sequence, our framework process the packets in batch and uses a deterministic finite automaton (DFA) with prefix-/suffix- tree method to detect patterns across out-of-sequence packets that happen to be located in different batches. In conclusion, evaluation shows that our code can reassemble and forward tens of millions of packets per second and conduct a stateful signature-based deep packet inspection at 55 Gbit/s using an NVIDIA K40 GPU.

97 MATHEMATICS AND COMPUTING↗

Deep Packet/Flow Analysis using GPUs

aDeep packet inspection (DPI) faces severe performance challenges in high-speed networks (40/100 GE) as it requires a large amount of raw computing power and high I/O throughputs. Recently, researchers have tentatively used GPUs to address the above issues and boost the performance of DPI. Typically, DPI applications involve highly complex operations in both per-packet and per-flow data level, often in real-time. The parallel architecture of GPUs fits exceptionally well for per-packet network traffic processing. However, for stateful network protocols such as TCP, their data stream need to be reconstructed in a per-flow level to deliver a consistent content analysis. Since the flow-centric operations are naturally anti-parallel and often require large memory space for buffering out-of-sequence packets, they can be problematic for GPUs, whose memory is normally limited to several gigabytes. In this work, we present a highly efficient GPU-based deep packet/flow analysi s framework. The proposed design includes a purely GPU-implemented flow tracking and TCP stream reassembly. Instead of buffering and waiting for TCP packets to become in sequence, our framework process the packets in batch and uses a deterministic finite automaton (DFA) with prefix-/suffix- tree method to detect patterns across out-of-sequence packets that happen to be located in different batches. Evaluation shows that our code can reassemble and forward tens of millions of packets per second and conduct a stateful signature-based deep packet inspection at 55 Gbit/s using an NVIDIA K40 GPU.

Gong, Qian↗

Data reduction methods, systems, and devices

Systems, methods, and apparatus are disclosed herein for data pattern detection and data reduction. Devices include an input port configured to receive data values that include a plurality of data units. The devices may also include a data analyzer configured to determine a test statistic based on at least some of the plurality of data units, the test statistic indicating a degree of difference between a first data unit and at least a second data unit, the second data unit being received at the input port before the first data unit. The data analyzer includes the first data unit in a first data block responsive to a determination that the test statistic indicates a low degree of difference, the determination being based on a comparison with a designated difference threshold, the first data block being a same data block as a second data block that includes the second data unit.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Improved twin detection via tracking of individual Kikuchi band intensity of EBSD patterns

Twin detection via EBSD can be particularly challenging due to the fine scale of certain twin types – for example, compression and double twins in Mg. Even when a grid of sufficient resolution is chosen to ensure scan points within the twins, the interaction volume of the electron beam often encapsulates a region that contains both the parent grain and the twin, confusing the twin identification process. The degradation of the EBSD pattern results in a lower image quality metric, which has long been used to imply potential twins. However, not all bands within the pattern are degraded equally. This paper exploits the fact that parent and twin lattices share common planes that lead to the quality of the associated bands not degrading; i.e. common planes that exist in both grains lead to bands of consistent intensity for scan points adjacent to twin boundaries. Hence, twin boundaries in a microstructure can be recognized, even when they are associated with thin twins. Proof of concept was performed on known twins in Inconel 600, Tantalum, and Magnesium AZ31. This method was then used to search for undetected twins in a Mg AZ31 structure, revealing nearly double the number of twins compared with those initially detected by standard procedures.

47 OTHER INSTRUMENTATION↗