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At least 397 records · Page 22

Predicting Dynamic-to-Static Correction Factor from Petrophysical Data and Chemostratigraphy using Unsupervised Machine Learning

Estimating static mechanical properties of stratigraphic layers is critical for optimizing subsurface engineering applications. To estimate dynamic-to-static correction factor F ds (static-to-dynamic Young’s modulus ratio) across the Caney shale interval in Oklahoma, USA, we integrated triaxial test measurements and petrophysical data, including well logs and X-ray fluorescence (XRF) using unsupervised machine learning (ML). We used a novel workflow that includes principal component analysis (PCA) to reduce data set dimensionality of well logs and XRF data sets—both separately and combined—creating three scenarios, and later applied inverse distance weighting (IDW) to derive F ds profiles for these scenarios. Furthermore, we applied K-means clustering on each scenario to predict depositional facies, and built a stiffness zonation profile through chemostratigraphic analysis of the terrigenous elements to validate the predicted F ds . The predicted F ds profile from each scenario using the PCA-IDW method was compared with the constant F ds approach from our previous study by calculating the root mean square error (RMSE). The combined data sets scenario yielded the lowest RMSE value of 0.113, while the RMSE values for the well logs and XRF scenarios were 0.131 and 0.129, respectively. In addition, the predicted F ds from the XRF scenario well-matched the stiffness zonation from the chemostratigraphic analysis that was built using the optimized K-means clustering of nine clusters for that scenario. These methods and findings offer a valuable tool for refining lithological classification and improving the F ds profile, potentially enhancing drilling and stimulation strategies for subsurface energy engineering applications.

clastic rock↗

SRF Cavity Instability Detection with Machine Learning at CEBAF

During the operation of the Continuous Electron Beam Accelerator Facility (CEBAF), one or more unstable superconducting radio-frequency (SRF) cavities often cause beam loss trips while the unstable cavities themselves do not necessarily trip off. The present RF controls for the legacy cavities report at only 1 Hz, which is too slow to detect fast transient instabilities during these trip events. These challenges make the identification of an unstable cavity out of the hundreds installed at CEBAF a difficult and time-consuming task. To tackle these issues, a fast data acquisition system (DAQ) for the legacy SRF cavities has been developed, which records the sample at 5 kHz. A Principal Component Analysis (PCA) approach is being developed to identify anomalous SRF cavity behavior. We will discuss the present status of the DAQ system and PCA model, along with initial performance metrics. Overall, our method offers a practical solution for identifying unstable SRF cavities, contributing to increased beam availability and machine reliability.

Carpenter, A.↗

Application of Partial Least Squares Approaches to Pyroprocessing ER Data

Multivariate approaches show promise for application to process monitoring for safeguards of pyroprocessing. Past MPACT work explored the application of Principal Component Analysis (PCA) to detect off-normal conditions in pyroprocessing electrorefiner (ER) data from in the Hot Fuel Examination Facility (HFEF) at Idaho National Laboratory (INL) known as the Scalable Pyrochemical Recycling testbed (SPyRe) ER. PCA, however, does not consider the output variables. In FY24, multivariate analysis was extended from PCA to Partial Least Squares (PLS) analysis. PLS maximizes the variance between both the input signals and output variables. In the case of this work, PLS was applied in two different manners: Predictive PLS and Discriminant PLS. Predictive PLS maximizes the covariance between the process variables of the ER and the measured U concentration from in-situ voltammetry. Discriminant PLS maximizes the covariance between the process variables and a set of training process “states” such as known off-normal conditions. By projecting into the latent variable space in PLS, the process variables can be regressed onto the outputs and predictions can be made for new data sets. In this work, by applying predictive PLS, a penalized non-linear PLS approach was able to make predictions of concentration based on test and training data and detect when operations were off-normal. However, the predictive PLS does not classify the signals to which off-normal operations are attributable. Discriminant PLS can be used to classify off-normal operations but is inadequate to properly classify specific off-normal classes like power supply faults when the Discriminant PLS model is only specifically trained to detect that off-normal class. When all faults are trained against the observation data, all three operational classes are accurately classified and distinguished. Thus, future application of latent variable techniques should not select any given method, but should use a mixture of PCA, Predictive PLS, and Discriminant PLS.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Multi-Parameter Optical Fiber for Distributed Sensing of Humidity, CH4, CO2, and Corrosion

This work describes the use of the optical fiber sensor (OFS) for successful monitoring of humidity, CH4, and CO2 based on the strain produced along the single-mode fiber (SMF) sensor. This is enabled by absorption of H2O/gases onto the commercially available polyacrylate coated jacketed portion of the fiber resulting in a change in strain. Under equilibrium, a differential microstrain was observed along the jacketed portion of the SMF with N2, CH4, and CO2 at different relative humidity (RH) conditions. The strain response of the SMF under various mixed gas composition and different RH conditions were also measured and made calibration curves accordingly. Linear regression and principal component analysis of the strain datasets provided deconvolution of the impact of strain from H2O, N2, CH4, and CO2. Additionally, modified OFS comprised of the Fe coated fiber section was employed to monitor corrosion based on the increase in backscattered intensity amplitude of the light being passed once corrosion of Fe occurs. Also, corrosion of Fe was studied under soil by installing the fiber in soil with protective measures which would prevent the sensor being mechanically disturbed or broken during installation. The corrosion rates were studied by monitoring the rate at which the intensity of backscattered light amplitude attains a steady state value when complete corrosion of Fe with a specific coating thickness occurs.

Mainali, Badri↗

Regime Characterization of Offshore Wind Resource Using Unsupervised Learning

Predictability of wind resource conditions is critical for offshore wind design and operations. While many studies of extreme wind conditions focus on specific events such as low-level jets or ramps, these rely on threshold definitions that limit generality. Here we present a data-driven framework that combines principal component analysis (PCA), self-organizing maps (SOM), and k-means clustering to classify wind resource conditions as typical and anomalous from climatological data. Anomalies are defined not by fixed thresholds but by flagging samples located far from SOM node centers inside the baseline SOM structure. This reframes extremes as rare ebents and hence, likely difficult to anticipate by numerical weather prediction models. We applied this approach to 23 years (2000–2022) of hourly profiles from the NOW-23 hindcast model at the Humboldt Wind Energy Area. Classification is conducted on a feature space consisting of 10 m wind speed and direction, bulk shear and veer across 30–270 m, and a low-level jet index. Dimensionality reduction is achieved through PC. A 2 × 3 OM lattice trained on the PCA vectors identified six baseline regimes spanning weak to strong flow states. High quantization-error profiles are identified and re-clustered into four anomalous regimes. The baseline regimes exhibited clear seasonal and diurnal cycles. Meanwhile, the anomalous regimes represented <10 % of all hours but showed distinct combinations of speed, shear, and veer, when compared to the baseline regimes. Anomalous regimes are typically short-lived (~few hours), yet their transitions can lead to hub-height wind changes of −18 to +9 m s -1 . For a representative 15 MW turbine, these shifts imply rapid swings in capacity factor from near-full output to negligible generation. Validation with lidar buoy data showed 51% agreement in SOM labels across ~6,000 overlapping hours, with most mismatches confined to adjacent speed classes. HRRR comparisons further revealed that anomalous regimes were disproportionately associated with forecast biases exceeding 5 m s -1 . Together, these results reframe extremes in offshore wind from absolute maxima or minima to weather states that are difficult to anticipate from models.

17 WIND ENERGY↗

Engineered Membrane Vesicle Production via oprF or oprI Deletion Has Distinct Phenotypic Effects in Pseudomonas putida -putative knockouts table

Table S1, putative gene knockout targets in P. putida KT2440 to enhance vesiculation; Table S2, protein sequence identity of OmpA from E. coli K12 to P. putida KT2440 genes; Table S3, strains utilized in this study and corresponding construction details; Table S4, oligonucleotides utilized in this study; Table S5, plasmids utilized in this study; Table S6, sequences for mNeonGreen, tags, and codon-optimized genes; Figure S1, particle count per gCDW for KT2440 and knockout strains corresponding to data presented in Figure 1B; Figure S2, OD600 measurements of extracted MVs from KT2440 and knockout strains; Figure S3, particle count per gCDW for WT, ΔPP_4669, and ΔPP_1502; Figure S4, particle count per gCDW for KT2440 and knockout strains corresponding to data presented in Figure 3C; Figure S5, sizes of MVs corresponding to particle counts in Figure S4; Figure S6, particle count per gCDW for KT2440 grown on 20 mM glucose alone or 20 mM glucose plus 12.5 mM p-coumarate and 12.5 mM ferulate; Figure S7 and Figure S8, principal component analysis of the cellular fractions; Figure S9, heatmap of outer membrane proteins with differential abundance; and Figure S10, mNeonGreen (mNG) fluorescence signal for the cellular fraction and the extracellular fraction

hypervesiculation↗

Accurate and Fast Anomaly Detection in Additive Composite-Based Manufacturing using Thermal Cameras

Today, large-scale additive manufacturing with plastics and composite materials requires continuous monitoring by experienced staff to prevent, detect and correct anomalous events affecting the performance of the printed part. We address the complexity of this demanding task by designing a camera-based anomaly detection system utilizing probabilistic principal component analysis (PPCA). This is a machine learning technique is trained with thermal images collected during normal operation of the large-scale printer (Cincinnati BAAM). This technique is advantageous for practical applications as there is no need to artificially introduce anomalous conditions into model training. During deployment, we challenge this model by introducing deliberate variations of the extruder speed. We reduce extrusion speed to a lower level, between 70 and 95% of the nominal value to collected test images. Our results show that images are easily identified as anomalous for extruder speeds at or below 85% of the nominal speed, meaning that an anomalous reduction of the material deposition rate can be detected within seconds of its onset. We show that our results are robust to (a) camera-to-camera variability and (b) print-to-print variability.

Pike, John [ORNL]↗

Towards interpretable Cryo-EM: disentangling latent spaces of molecular conformations

Molecules are essential building blocks of life and their different conformations (i.e., shapes) crucially determine the functional role that they play in living organisms. Cryogenic Electron Microscopy (cryo-EM) allows for acquisition of large image datasets of individual molecules. Recent advances in computational cryo-EM have made it possible to learn latent variable models of conformation landscapes. However, interpreting these latent spaces remains a challenge as their individual dimensions are often arbitrary. The key message of our work is that this interpretation challenge can be viewed as an Independent Component Analysis (ICA) problem where we seek models that have the property of identifiability. That means, they have an essentially unique solution, representing a conformational latent space that separates the different degrees of freedom a molecule is equipped with in nature. Thus, we aim to advance the computational field of cryo-EM beyond visualizations as we connect it with the theoretical framework of (nonlinear) ICA and discuss the need for identifiable models, improved metrics, and benchmarks. Moving forward, we propose future directions for enhancing the disentanglement of latent spaces in cryo-EM, refining evaluation metrics and exploring techniques that leverage physics-based decoders of biomolecular systems. Moreover, we discuss how future technological developments in time-resolved single particle imaging may enable the application of nonlinear ICA models that can discover the true conformation changes of molecules in nature. The pursuit of interpretable conformational latent spaces will empower researchers to unravel complex biological processes and facilitate targeted interventions. This has significant implications for drug discovery and structural biology more broadly. More generally, latent variable models are deployed widely across many scientific disciplines. Thus, the argument we present in this work has much broader applications in AI for science if we want to move from impressive nonlinear neural network models to mathematically grounded methods that can help us learn something new about nature.

59 BASIC BIOLOGICAL SCIENCES↗

The relationship between below average cognitive ability at age 5 years and the child’s experience of school at age 9

Background At age 5, while only embarking on their educational journey, substantial differences in children’s cognitive ability will already exist. The aim of this study was to examine the causal association between below average cognitive ability at age 5 years and child-reported experience of school and self-concept, and teacher-reported class engagement and emotional-behavioural function at age 9 years. Methods This longitudinal cohort study used data from 7,392 children in the Growing Up in Ireland Infant Cohort, who had completed the Picture Similarities and Naming Vocabulary subtests of the British Abilities Scales at age 5. Principal components analysis was used to produce a composite general cognitive ability score for each child. Children with a general cognitive ability score more than 1 standard deviation (SD) below the mean at age 5 were categorised as ‘Below Average Cognitive Ability’ (BACA), and those scoring above this as ‘Typical Cognitive Development’ (TCD). The outcomes of interest, measured at age 9, were child-reported experience of school, child’s self-concept, teacher-reported class engagement, and teacher-reported emotional behavioural function. Binary and multinomial logistic regression models were used to examine the association between BACA and these outcomes. Results Compared to those with TCD, those with BACA had significantly higher odds of never liking school [Adjusted odds ratio (AOR) 1.82, 95% CI 1.37–2.43, p < 0.001], of being picked on (AOR 1.27, 95% CI 1.09–1.48) and of picking on others (AOR 1.53, 95% CI 1.27–1.84). They had significantly higher odds of experiencing low self-concept (AOR 1.20, 95% CI 1.02–1.42) and emotional-behavioural difficulties (AOR 1.34, 95% CI 1.10–1.63, p = 0.003). Compared to those with TCD, children with BACA had significantly higher odds of hardly ever or never being interested, motivated and excited to learn (AOR 2.29, 95% CI 1.70–3.10). Conclusion Children with BACA at school-entry had significantly higher odds of reporting a negative school experience and low self-concept at age 9. They had significantly higher odds of having teacher-reported poor class engagement and problematic emotional-behavioural function at age 9. The findings of this study suggest BACA has a causal role in these adverse outcomes. Early childhood policy and intervention design should be cognisant of the important role of cognitive ability in school and childhood outcomes.

Bowe, Andrea K.↗

Uncovering Structure–Conductivity Relationships in Anion Exchange Membranes (AEMs) Using Interpretable Machine Learning

Anion exchange membranes (AEMs) play a vital role in the performance of water electrolyzers and fuel cells, yet their discovery and optimization remain challenging due to the complexity of structure–property relationships. In this study, we introduce a machine learning framework that leverages conditional graph neural networks (cGNNs) and descriptor-based models and a hybrid graph neural network (HGARE) to predict and interpret ionic conductivity. The descriptor-based pipeline employs principal component analysis (PCA), ablation, and SHAP analysis to identify factors governing anion conductivity, revealing electronic, topological, and compositional descriptors as key contributors. Beyond prediction, dimensionality reduction and clustering are performed by employing t-SNE and KMeans as well as SOM, which reveal distinct membranes clusters, some of which were enriched with high anion conductivity. Among graph-based approaches, the graph convolutional (GCN) achieved strong predictive performance, while the Hybrid Graph Autoencoder-Regressor Ensemble (HGARE) achieved the highest accuracy. Additionally, atom-level saliency maps from GCN provide spatial explanations for conductive behavior, revealing the importance of polarizable and flexible regions. This work contributes to the accelerated and data-driven design of high-performance AEMs.

Naghshnejad, Pegah [Department of Chemical Enginee↗

Archetype-based Redshift Estimation for the Dark Energy Spectroscopic Instrument Survey

We present a computationally efficient galaxy archetype-based redshift estimation and spectral classification method for the Dark Energy Survey Instrument (DESI) survey. The DESI survey currently relies on a redshift fitter and spectral classifier using a linear combination of principal component analysis–derived templates, which is very efficient in processing large volumes of DESI spectra within a short time frame. However, this method occasionally yields unphysical model fits for galaxies and fails to adequately absorb calibration errors that may still be occasionally visible in the reduced spectra. Our proposed approach improves upon this existing method by refitting the spectra with carefully generated physical galaxy archetypes combined with additional terms designed to absorb data reduction defects and provide more physical models to the DESI spectra. We test our method on an extensive data set derived from the survey validation (SV) and Year 1 (Y1) data of DESI. Our findings indicate that the new method delivers marginally better redshift success for SV tiles while reducing catastrophic redshift failure by 10%–30%. At the same time, results from millions of targets from the main survey show that our model has relatively higher redshift success and purity rates (0.5%–0.8% higher) for galaxy targets while having similar success for QSOs. These improvements also demonstrate that the main DESI redshift pipeline is generally robust. Additionally, it reduces the false-positive redshift estimation by 5%–40% for sky fibers. We also discuss the generic nature of our method and how it can be extended to other large spectroscopic surveys, along with possible future improvements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

SpecDis: Value Added Distance Catalog for 4 Million Stars from DESI Year-1 Data

We present the SpecDis value-added stellar distance catalog accompanying DESI Data Release 1. SpecDis trains a feed-forward neural network (NN) with Gaia parallaxes and gets the distance estimates. To build up an unbiased training sample, we do not apply selections on parallax error or signal-to-noise (S/N) of the stellar spectra, and instead, we incorporate parallax error into the loss function. Moreover, we employ principal component analysis to reduce the noise and dimensionality of stellar spectra. Validated by independent external samples of member stars with precise distances from globular clusters, dwarf galaxies, stellar streams, combined with blue horizontal branch stars, we demonstrate that our distance measurements show no significant bias up to 100 kpc, and are much more precise than Gaia parallax beyond 7 kpc. The median distance uncertainties are 23%, 19%, 11%, and 7% for S/N < 20, 20 ≤ S/N < 60, 60 ≤ S/N < 100, and S/N ≥ 100. Selecting stars with ${\mathrm{log}}\,g\lt 3.8$ and distance uncertainties smaller than 25%, we have more than 74,000 giant candidates within 50 kpc of the Galactic center and 1500 candidates beyond this distance. Additionally, we develop a Gaussian mixture model to identify unresolvable equal-mass binaries by modeling the discrepancy between the NN-predicted and the geometric absolute magnitudes from Gaia parallaxes and identify 120,000 equal-mass binary candidates. Our final catalog provides distances and distance uncertainties for >4 million stars, offering a valuable resource for Galactic astronomy.

astronomy data analysis↗

A Generative Model for Realistic Galaxy Cluster X-Ray Morphologies

Abstract The X-ray morphologies of clusters of galaxies display significant variations, reflecting their dynamical histories and the nonlinear dependence of X-ray emissivity on the density of the intracluster gas. Qualitative and quantitative assessments of X-ray morphology have long been considered a proxy for determining whether clusters are dynamically active or “relaxed.” Conversely, the use of circularly or elliptically symmetric models for cluster emission can be complicated by the variety of complex features realized in nature, spanning scales from megaparsecs down to the resolution limit of current X-ray observatories. In this work, we use mock X-ray images from simulated clusters from The Three Hundred project to define a basis set of cluster image features. We take advantage of the clusters’ approximate self-similarity to minimize the differences between images before encoding the remaining diversity through a distribution of high-order polynomial coefficients. Principal component analysis then provides an orthogonal basis for this distribution, corresponding to natural perturbations from an average model. This representation allows novel, realistically complex X-ray cluster images to be easily generated, and we provide code to do so. The approach provides a simple way to generate training data for cluster image analysis algorithms and could be straightforwardly adapted to generate clusters displaying specific types of features or selected by physical characteristics available in the original simulations.

79 ASTRONOMY AND ASTROPHYSICS↗

Dimensional Reduction for Sampled Priors and Application to Photometric Redshift Distributions

A typical Bayesian inference on the values of some parameters of interest q from some data D involves running a Markov Chain (MC) to sample from the posterior $p$($q$,$n$|$D$) $\propto$ $\mathcal{L}$($D$|$q$,$n$)$p$(q)$p$($n$), where n are some nuisance parameters with a separable prior. In some cases, the nuisance parameters are high-dimensional, and their prior p(n) is itself defined only by a set of samples that have been drawn from some other MC. The MC for the posterior will typically require evaluation of p(n) at arbitrary values of n, i.e., one needs to provide a density estimator over the full n space from the provided samples. But the high dimensionality of n hinders both the density estimation and the efficiency of the MC for the posterior. We describe a solution to this problem: a linear compression of the n space into a much lower-dimensional space u, which projects away directions in n space that cannot appreciably alter $\mathcal{L}$. The algorithm for doing so is a slight modification to principal components analysis, and is less restrictive on p(n) than other proposed solutions to this issue. We demonstrate this “mode projection” technique using the analysis of 2-point correlation functions of weak lensing fields and galaxy density in the Dark Energy Survey, where n is a binned representation of the redshift distribution n(z) of the galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

Spacecraft reliability/maintainability optimization.

Description of a procedure to develop a methodology to optimize man-serviced systems for reliability and maintainability. The spacecraft systems are analyzed using failure modes and effects analysis and maintenance analysis, component mean-time-between failure, duty cycle, type of redundancy, and cost information to develop parametric data on various time intervals. Included are crew time-to-repair, cost, weight, and volume effects of increasing subsystem reliability above the baseline. Results are presented for space systems using the existing data from a research and applications module. These results show the minimum cost of sustaining mission operations.

Sharmahd, J. N.↗

A unified development of several techniques for the representation of random vectors and data sets

Linear vector space theory is used to develop a general representation of a set of data vectors or random vectors by linear combinations of orthonormal vectors such that the mean squared error of the representation is minimized. The orthonormal vectors are shown to be the eigenvectors of an operator. The general representation is applied to several specific problems involving the use of the Karhunen-Loeve expansion, principal component analysis, and empirical orthogonal functions; and the common properties of these representations are developed.

Bundick, W. T.↗

A statistical-chemical and thermodynamic approach to the study of lunar mineralogy

Principal components analysis is used to study the chemical compositions of pyroxenes of five Apollo 12 specimens. Important correlations are recognized in the variation of oxide weight per cent. These correlations indicating substitutional relationships can be interpreted as representative of stable and metastable trends of crystallization by using crystal-chemical and thermodynamic information. The per cent variance of pyroxene groups with characteristic trends in each specimen can be evaluated and interpreted in terms of history of crystallization. Distribution of Fe and Mg in certain pairs of olivine and pyroxene, which are found in contact in the rock and which may have crystallized simultaneously, is useful in recognizing the tendency towards chemical equilibrium in Fe-Mg distribution during a limited interval in the liquidus or subsolidus stages.

Saxena, S. K.↗

Overview of NASA aeronautical propulsion research and technology program

The program discussed is aimed at improving performance within an extended operating range, reducing weight, increasing service life, achieving greater cost effectiveness, reducing noise and exhaust pollution, and improving means of energy conservation. The program places emphasis on basic research in numerous related technical disciplines, system analysis, component technology, full scale propulsion system studies, and technology demonstrations. Much attention in the discussion is given to noise and pollution minimization research.

Johnson, H. W.↗