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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 109 records · Page 6

Vehicle Classification and Identification Using Multi-Modal Sensing and Signal Learning

Vehicle counting, time-of-travel analysis, and other traffic studies frequently require the classification and identification of vehicles in a roadway. Unfortunately, many current technologies for identifying vehicles, such as image-based methods that use cameras and machine vision, are not appropriate for studies that require low power consumption and low cost. In addition, privacy issues are becoming a larger concern with the increasing controversy surrounding the public collection of imagery. Some monitoring solutions, then, will require modalities beyond images. In this work we evaluate a multi-modal sensing approach to vehicle classification and identification. An ensemble of sensors measures electromagnetic emanations and acoustic signatures, and the signals are evaluated with a kernel regression method that is optimized with a genetic algorithm. We show that these signals are sufficient to classify categories of vehicles and identify individual vehicles that have already been seen, all without the benefit of images. The strength of our approach is demonstrated on a new publicly available dataset

Kerekes, Ryan↗

A Machine-Learning Decision-Support Tool for Travel-Demand Modeling

Utility maximization(UM) models are the lifeblood of virtually all travel demand models (TDM) in practice. Be it the traditional travel demand models or more advanced activity-based models, utility maximization models are used extensively to model and predict myriad travel choices such as location choice, mode choice, route choice etc. More recently machine learning (ML) models are being applied in a variety of contexts to predict choice patterns (product suggestions on Amazon, restaurant suggestions on Yelp etc.,). In the TDM arena, there has been interest in incorporating ML models where they can enhance prediction accuracy. Though there have been sporadic efforts at comparing specific utility maximization models to machine learning models, there is a need for a standard comparison tool which can evaluate ML models against UM models for a given choice context. Addressing this need, we present a tool for applying an array of models including logit, nested logit, neural network, Naive Bayes and decision tree classifiers. The tool is specifically tailored to aid in the deciding the best model for a given choice context and can be used to choose an appropriate model family or to construct a model ensemble to improve upon current modeling standards in travel demand modeling. We test our proposed system on household vehicle count and work schedule targets from the 2017 National Household Travel Survey. Results demonstrate that for some variables, logit are not the most effective models, and the proposed system can aid in selecting a better model.

33 ADVANCED PROPULSION SYSTEMS↗

TULIP: An RNA-seq-based Primary Tumor Type Prediction Tool Using Convolutional Neural Networks

Background: With cancer as one of the leading causes of death worldwide, accurate primary tumor type prediction is critical in identifying genetic factors that can inhibit or slow tumor progression. There have been efforts to categorize primary tumor types with gene expression data using machine learning, and more recently with deep learning, in the last several years. Methods In this paper, we developed four 1-dimensional (1D) Convolutional Neural Network (CNN) models to classify RNA-seq count data as one of 17 highly represented primary tumor types or 32 primary tumor types regardless of imbalanced representation. Additionally, we adapted the models to take as input either all Ensembl genes (60,483) or protein coding genes only (19,758). Unlike previous work, we avoided selection bias by not filtering genes based on expression values. RNA-seq count data expressed as FPKM-UQ of 9,025 and 10,940 samples from The Cancer Genome Atlas (TCGA) were downloaded from the Genomic Data Commons (GDC) corresponding to 17 and 32 primary tumor types respectively for training and validating the models. Results: All 4 1D-CNN models had an overall accuracy of 94.7% to 97.6% on the test dataset. Further evaluation indicates that the models with protein coding genes only as features performed with better accuracy compared to the models with all Ensembl genes for both 17 and 32 primary tumor types. For all models, the accuracy by primary tumor type was above 80% for most primary tumor types. Conclusions: We packaged all 4 models as a Python-based deep learning classification tool called TULIP (TUmor CLassIfication Predictor) for performing quality control on primary tumor samples and characterizing cancer samples of unknown tumor type. Further optimization of the models is needed to improve the accuracy of certain primary tumor types.

Jones, Sara↗

Efficient Distance-based Global Sensitivity Analysis for Terrestrial Ecosystem Modeling

Sensitivity analysis in terrestrial ecosystem modeling is important for understanding controlling processes, guiding model development, and targeting new observations to reduce parameter and prediction uncertainty. Complex and computationally expensive terrestrial ecosystem models (TEM) limit the number of ensemble simulations, requiring sophisticated and efficient methods to analyze sensitivities of multiple model responses to different types of parameter uncertainties. In this study, we propose a distance-based global sensitivity analysis (DGSA) method. DGSA first classifies model response samples into a small set of discrete classes and then calculates the distance between parameter frequency distributions in different classes to measure the parameter sensitivity. The principle is that, if the parameter distribution is the same in each class, then the model response is insensitive to the parameter, while a large difference in the distributions indicates the parameter is influential to the response. Built on this idea, DGSA can be applied to analyze sensitivity of a single and a group of responses to different kinds of parameter uncertainties including continuous, discrete and even stochastic. Besides the main-effect sensitivity from a single parameter, DGSA can also quantify the sensitivity from parameter interactions. Additionally, DGSA is computationally efficient which can use a small number of model evaluations to obtain an accurate and statistically significant result. We applied DGSA to two TEMs, one having eight parameters and three kinds of model responses, and the other having 47 parameters and a long-period response. We demonstrated that DGSA can be used for sensitivity problems with multiple responses and high-dimensional parameters efficiently.

Lu, Dan↗

Source-agnostic gravitational-wave detection with recurrent autoencoders

Abstract We present an application of anomaly detection techniques based on deep recurrent autoencoders (AEs) to the problem of detecting gravitational wave (GW) signals in laser interferometers. Trained on noise data, this class of algorithms could detect signals using an unsupervised strategy, i.e. without targeting a specific kind of source. We develop a custom architecture to analyze the data from two interferometers. We compare the obtained performance to that obtained with other AE architectures and with a convolutional classifier. The unsupervised nature of the proposed strategy comes with a cost in terms of accuracy, when compared to more traditional supervised techniques. On the other hand, there is a qualitative gain in generalizing the experimental sensitivity beyond the ensemble of pre-computed signal templates. The recurrent AE outperforms other AEs based on different architectures. The class of recurrent AEs presented in this paper could complement the search strategy employed for GW detection and extend the discovery reach of the ongoing detection campaigns.

47 OTHER INSTRUMENTATION↗

Parallel Consensual Neural Networks

A new neural network architecture is proposed and applied in classification of remote sensing/geographic data from multiple sources. The new architecture is called the parallel consensual neural network and its relation to hierarchical and ensemble neural networks is discussed. The parallel consensual neural network architecture is based on statistical consensus theory. The input data are transformed several times and the different transformed data are applied as if they were independent inputs and are classified using stage neural networks. Finally, the outputs from the stage networks are then weighted and combined to make a decision. Experimental results based on remote sensing data and geographic data are given. The performance of the consensual neural network architecture is compared to that of a two-layer (one hidden layer) conjugate-gradient backpropagation neural network. The results with the proposed neural network architecture compare favorably in terms of classification accuracy to the backpropagation method.

Benediktsson, J. A.↗

A consensual neural network

A neural network architecture called a consensual neural network (CNN) is proposed for the classification of data from multiple sources. Its relation to hierarchical and ensemble neural networks is discussed. CNN is based on the statistical consensus theory and uses nonlinearly transformed input data. The input data are transformed several times, and the different transformed data are applied as if they were independent inputs. The independent inputs are classified using stage neural networks and outputs from the stage networks are then weighted and combined to make a decision. Experimental results based on remote-sensing data and geographic data are given.

Benediktsson, J. A.↗

A Chaos Theoretic Approach to Animal Activity Recognition

Animal activity is a descriptor that can be potentially used to track the health and well-being, which is obviously very important to improve the management process and productivity of farms. This paper deals with an animal behavior recognition problem using a chaos theory approach where we adopt such a technique for automatic classification of calves behavioral states. Two main mutually exclusive behaviors are of interest, namely, lying and standing/walking with six possible activities: feeding, drinking water, drinking milk, playing, rumination, and neutral. The time series generated by ear-tags with a 3D-accelerometer after a wavelet denoising transformation and frequency stabilization are treated as representations of the nonlinear dynamical system. The dynamical system of a certain animal state exhibits specific strange attractor in a phase space. A characterization of such an attractor is performed through metric, dynamic, and topological invariants including Lyapunov exponent, correlation dimension, length of a phase trajectory, sum of edges forming a convex hull and others. These measures are used as a feature vector for the subsequent classification. In a cross validation scheme, six classifiers are built on each training set, and the hyper-parameters are optimized using an inner validation set. The classifier that reaches the highest accuracy on the inner validation set is used to classify the outer validation set. It is shown that this approach can be useful at predicting activity states as an alternative methodology for the animal behavior state recognition problem with acceptable classification accuracy. Furthermore it is possible to include this procedure as part of an ensemble method in machine learning where a combination of different models is used.

97 MATHEMATICS AND COMPUTING↗

Unravelling the orbits of cluster galaxy populations according to their dominant gas ionization source

ABSTRACT We investigate the kinematical and dynamical properties of cluster galaxy populations classified according to their dominant source of gas ionization, namely: star-forming (SF) galaxies, optical active galactic nuclei (AGNs), mixed SF plus AGN ionization (transition objects, T), and quiescent (Q) galaxies. We stack 8892 member galaxies from 336 relaxed galaxy clusters to build an ensemble cluster and estimate the observed projected profiles of numerical density and velocity dispersion, $\sigma _P(R)$, of each galaxy population. The MAMPOSSt code and the Jeans equations inversion technique are used to constrain the velocity anisotropy profiles of the galaxy populations in both parametric and non-parametric ways. We find that Q (SF) galaxies display the lowest (highest) typical cluster-centric distances and velocity dispersion values. Transition galaxies are more concentrated and tend to exhibit lower velocity dispersion values than SF galaxies. Galaxies that host an optical AGN are as concentrated as Q galaxies but display velocity dispersion values similar to those of the SF population. MAMPOSSt is able to find equilibrium solutions that successfully recover the observed $\sigma _P(R)$ profile only for the Q, T, and AGN populations. We find that the orbits of all populations are consistent with isotropy in the inner regions, becoming increasingly radial with the distance from the cluster centre. These results suggest that Q galaxies are in equilibrium within their clusters, while SF galaxies have more recently arrived in the cluster environment. Finally, the T and AGN populations appear to be in an intermediate dynamical state between those of the SF and Q populations.

Valk, Greique A. (ORCID:0009000827731299)↗

Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1)

Human histidine triad nucleotide binding protein 1 (hHint1) is classified as an efficient nucleoside phosphoramidase and acyl-adenosine monophosphate hydrolase. Human Hint1 has been shown to be essential for the metabolic activation of nucleotide antiviral pronucleotides (i.e., proTides), such as the FDA approved hepatitis C drug, sofosbuvir. The active site of hHint1 comprises an ensemble of strictly conserved histidines, including nucleophilic His112. To structurally investigate the mechanism of hHint1 catalysis, herein we have designed and prepared nucleoside thiophosphoramidate substrates that are able to capture the transiently formed nucleotidylated-His112 intermediate (E*) using time-dependent crystallography. Utilizing a catalytically inactive hHint1 His112Asn enzyme variant and wild-type enzyme, the enzyme–substrate (ES 1 ) and product (EP 2 ) complexes were also cocrystallized, respectively, thus providing a structural map of the reaction trajectory. On the basis of these observations and the mechanistic necessity of proton transfers, proton inventory studies were carried out. Although we cannot completely exclude the possibility of more than one proton in flight, the results of these studies were consistent with the transfer of a single proton during the formation of the intermediate. Interestingly, structural analysis revealed that the critical proton transfers required for intermediate formation and hydrolysis may be mediated by a conserved active site water channel. Taken together, our results provide mechanistic insights underpinning histidine nucleophilic catalysis in general and hHint1 catalysis, in particular, thus aiding the design of future proTides and the elucidation of the natural function of the Hint family of enzymes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Dichotomy of Wet and Dry Trends Over India by Aerosol Indirect Effects in CMIP5 Models

Abstract Aerosol‐cloud interactions, also known as aerosol indirect effect (AIE), substantially impact rainfall frequency and intensity. Here, we analyze NEX‐GDDP, a multimodel ensemble of high‐resolution (0.25°) historical simulations and future projections statistically downscaled from 21 CMIP5 models, to quantify the importance of AIE on extreme climate indices, specifically consecutive dry days (CDD), consecutive wet days (CWD), and simple daily intensity index (SDII). The 21 NEX‐GDDP CMIP5 models are classified into models with reliable (REM) and unreliable (UREM) monsoon climate simulated over India based on their simulations of the climate indices. The REM group is further decomposed based on whether the models represent only the direct (REM ADE ) or the direct and indirect (REM ALL ) aerosol effects. Compared to REM ADE , including all aerosol effects significantly improves the model skills in simulating the observed historical trends of all three climate indices over India. Specifically, AIE enhances dry days and reduces wet days in India in the historical period, consistent with the observed changes. However, by the middle and end of the 21st century, there is a relative decrease in dry days and an increase in wet days and precipitation intensity. Moreover, the REM ALL simulated future CWD and CDD changes are mostly opposite to those in REM ADE , indicating the substantial role of AIE in the future projection of dry and wet climates. These findings underscore the crucial role of AIE in future projections of the Indian hydroclimate and motivate efforts to accurately represent AIE in climate models.

54 ENVIRONMENTAL SCIENCES↗

GrainGNN: A dynamic graph neural network for predicting 3D grain microstructure

We propose GrainGNN, a surrogate model for the evolution of polycrystalline grain structure under rapid solidification conditions in metal additive manufacturing. High fidelity simulations of solidification microstructures are typically performed using multicomponent partial differential equations (PDEs) with moving interfaces. The inherent randomness of the PDE initial conditions (grain seeds) necessitates ensemble simulations to predict microstructure statistics, e.g., grain size, aspect ratio, and crystallographic orientation. Here, currently such ensemble simulations are prohibitively expensive and surrogates are necessary.In GrainGNN, we use a dynamic graph to represent interface motion and topological changes due to grain coarsening. We use a reduced representation of the microstructure using hand-crafted features; we combine pattern finding and altering graph algorithms with two neural networks, a classifier (for topological changes) and a regressor (for interface motion). Both networks have an encoder-decoder architecture; the encoder has a multi-layer transformer long-short-term-memory architecture; the decoder is a single layer perceptron.We evaluate GrainGNN by comparing it to high-fidelity phase field simulations for in-distribution and out-of-distribution grain configurations for solidification under laser power bed fusion conditions. GrainGNN results in 80%–90% pointwise accuracy; and nearly identical distributions of scalar quantities of interest (QoI) between phase field and GrainGNN simulations compared using Kolmogorov-Smirnov test. GrainGNN's inference speedup (PyTorch on single x86 CPU) over a high-fidelity phase field simulation (CUDA on a single NVIDIA A100 GPU) is 150×–2000× for 100-initial grain problem. Further, using GrainGNN, we model the formation of 11,600 grains in 220 seconds on a single CPU core.

36 MATERIALS SCIENCE↗

Hydrodynamic computations of high-power laser drives generating metal ejecta jets from surface grooves

Understanding dynamic fragmentation in shock-loaded metals and predicting properties of the resulting ejecta are of considerable importance for both basic and applied science. The nature of material ejection has been shown to change drastically when the free surface melts on compression or release. In this work, we present hydrodynamic simulations of laser-driven microjetting from micron-scale grooves on a tin surface. We study microjet formation across a range of shock strengths from drives that leave the target solid after release to drives that induce shock melting in the target. The shock-state particle velocity (Up) varies from 0.3 to 3 km/s and the shock breakout pressure is 3–120 GPa. The microjet tip velocity is 1–8 km/s and the free-surface velocity varies from 0.1 to 5 km/s. Two tin equations of state are examined: a “soft” model (LEOS 501) where the target melts for U p > 1 km/s and a more detailed multiphase model (SESAME 2161) that melts for U p > 1.4 km/s. We use these two models to examine the influence of phase change and the choice of the material model on microjet formation and evolution. We observe in our computational results that jet formation can be classified into three regimes: a low-energy regime where material strength affects jet formation, a moderate-energy regime dominated by the changing phase of tin material, and a high-energy regime where results are insensitive to the material model and jet formation is described by an idealized steady-jet theory. Using an ensemble of 2D simulations, we show that these trends hold across a wide range of drive energies and groove angles.

36 MATERIALS SCIENCE↗

Colloidal State Machines as Smart Tracers for Chemical Reactor Analysis

A widely utilized tool in reactor analysis is passive tracers that report the residence time distribution, allowing estimation of the conversion and other properties of the system. Recently, advances in microrobotics have introduced powered and functional entities with sizes comparable to some traditional tracers. This has motivated the concept of Smart Tracers that could record the local chemical concentrations, temperature, or other conditions as they progress through reactors. Herein, the design constraints and advantages of Smart Tracers by simulating their operation in a laminar flow reactor model conducting chemical reactions of various orders are analyzed. It is noted that far fewer particles are necessary to completely map even the most complex concentration gradients compared with their conventional counterparts. Design criteria explored herein include sampling frequency, memory storage capacity, and ensemble number necessary to achieve the required accuracy to inform a reactor model. Cases of severe particle diffusion and sensor noise appear to bind the functional upper limit of such probes and require consideration for future design. The results of the study provide a starting framework for applying the new technology of microrobotics to the broad and impactful set of problems classified as chemical reactor analysis.

97 MATHEMATICS AND COMPUTING↗

Tree-based algorithms for weakly supervised anomaly detection

Weakly supervised methods have emerged as a powerful tool for model-agnostic anomaly detection at the Large Hadron Collider (LHC). While these methods have shown remarkable performance on specific signatures such as dijet resonances, their application in a more model-agnostic manner requires dealing with a larger number of potentially noisy input features. In this paper, we show that using boosted decision trees as classifiers in weakly supervised anomaly detection gives superior performance compared to deep neural networks. Boosted decision trees are well known for their effectiveness in tabular data analysis. Our results show that they not only offer significantly faster training and evaluation times, but they are also robust to a large number of noisy input features. By using advanced gradient boosted decision trees in combination with ensembling techniques and an extended set of features, we significantly improve the performance of weakly supervised methods for anomaly detection at the LHC. This advance is a crucial step toward a more model-agnostic search for new physics. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

Uncertainty-Aware Machine Learning for Small-Angle X-ray Scattering Analysis in Autonomous Experimentation

Small-angle X-ray scattering (SAXS) is a powerful high-throughput characterization tool for probing nanoscale structure in native sample environments, providing real-time morphological information such as nanoparticle size and shape during synthesis. However, automated SAXS data analysis for extracting meaningful structural parameters is non-trivial and remains a bottleneck in closed-loop experimentation towards autonomous materials discovery, which demands fast, reliable, and uncertainty-aware data analysis. Here, we develop a machine-learning approach for automated SAXS analysis tailored to closed-loop nanoparticle synthesis. A Random Forest (RF) regression model is trained on 100,000 synthetic SAXS curves generated from polydisperse spherical nanoparticles with realistic background contributions. Using normalized one-dimensional SAXS intensity profiles as input, the RF model directly predicts nanoparticle radius, size polydispersity, and background parameters, while the ensemble standard deviation across trees provides built-in uncertainty quantification (UQ). On synthetic data, we show that combining fit-quality metrics (R 2 , MAE) with thresholds on prediction uncertainty reliably identifies accurate parameter estimates without access to ground truth. We then apply the trained model to 365 experimental SAXS profiles of citrate-reduced gold nanoparticles synthesized using an automated droplet-flow microreactor with in situ SAXS at a synchrotron beamline, classifying the results into high- and low-confidence subsets based on UQ metrics. Finally, we integrate RF-based SAXS analysis into a simulated closed-loop optimization campaign using Gaussian process Bayesian optimization to minimize nanoparticle polydispersity, benchmarking against conventional automated Levenberg–Marquardt fitting. The RF-guided campaign exhibits substantially faster convergence and lower relative opportunity cost (∼0.07 vs ∼0.3), demonstrating that uncertainty-aware machine-learning SAXS analysis significantly enhances the efficiency and robustness of autonomous nanomaterials synthesis workflows.

Bayesian optimization↗

Event Classifications on DNE2 Main Experiment Data using a Convolutional Neural Network Ensemble

The Dynamic Networks (DN) Experiment for FY24 (DNE2) is an experiment within DN with the goal of quantitatively evaluating the effectiveness of solutions developed so far by various researchers under the Low Yield Nuclear Monitoring (LYNM) program using a shared set of metrics and datasets. A key component of this experiment is the mimicking of a signature processing pipeline, and comparing currently accepted and standard-use processing methods to more state-of-the-art processes developed under DN. In this work, we focus specifically on the Event Characterization (EC) Focus Area (FA) of the pipeline, where a seismic event’s magnitude, yield and class are identified. We use Deep Learning (DL) to classify the type of events being processed as either earthquakes (EQs) or explosions (EXs) for three iterations of experiment datasets. The model is noticeably more confident and accurate in classifying explosions than earthquakes, reflecting a known shortcoming of the model, that being of a bias towards predicting explosions over earthquakes in the west coast due to training data biases.

97 MATHEMATICS AND COMPUTING↗

Retrievals of Riming and Snow Density From Vertically Pointing Doppler Radars

Retrievals of ice and snow are made from Ka- and W-band zenith-pointing Doppler radars at Hyytiälä, Finland, during the snow experiment component of the Biogenic Aerosols: Effects on Clouds and Climate (2014) field campaign. In a novel optimal estimation retrieval, mean Doppler velocity is exploited to retrieve a density factor parameter, which modulates the mass, shape, terminal velocity, and backscatter cross sections of ice particles. In a case study including aggregate snow and graupel we find that snow rate and ensemble mean ice density can be retrieved to within 50% of in situ measurements at the surface using dual-frequency Doppler radar retrievals. While Doppler measurements are essential to the retrieval of particle density, the dual-frequency ratio provides a strong constraint on particle size. The retrieved density factor is strongly correlated with liquid water path, indicating that riming is the primary process by which the density factor is modulated. Using liquid water path as a proxy for riming, profiles classified as unrimed snow, rimed snow, and graupel exhibit distinct features characteristic of aggregation and riming processes, suggesting the potential to make estimates of process rates from these retrievals. We discuss the potential application of the technique to future satellite missions.

54 ENVIRONMENTAL SCIENCES↗