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Gaussian mixture models as automated particle classifiers for fast neutron detectors

Pulse shape discrimination (PSD) is the task of classifying electronic pulse shapes for different particle types such as gamma rays and fast neutrons interacting in scintillators and read out by photo sensitive detectors. This field has been limited in its adoption of techniques found in the statistical learning community. Methods initially employed in the 1960s for analog electronic circuitry persist in the current PSD literature describing operations performed on digitized pulses, which are amenable to statistical rigor. Despite vast amounts of data collected at low energy levels, traditional PSD methods are unable to discriminate particles below a certain threshold. As such, in this work, Gaussian mixture models (GMMs) are used as a clustering technique for fast neutron detection in the absence of labeled data. GMMs yield improvements spanning the energy spectrum in a desirably efficient, unsupervised fashion. An extension, the Dirichlet Process GMM, provides further flexibility and classification improvement.

97 MATHEMATICS AND COMPUTING↗

Hybrid statistical testing for nuclear material accounting data and/or process monitoring data in nuclear safeguards

The aim of nuclear safeguards is to ensure that special nuclear material is used for peaceful purposes. Historically, nuclear material accounting (NMA) has provided the quantitative basis for monitoring for nuclear material loss or diversion, and process monitoring (PM) data is collected by the operator to monitor the process. PM data typically support NMA in various ways, often by providing a basis to estimate some of the in-process nuclear material inventory. We develop options for combining PM residuals and NMA residuals (residual = measurement - prediction), using a hybrid of period-driven and data-driven hypothesis testing. The modified statistical tests can be used on time series of NMA residuals (the NMA residual is the familiar material balance), or on a combination of PM and NMA residuals. The PM residuals can be generated on a fixed time schedule or as events occur.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

An improved multilevel Monte Carlo method for estimating probability distribution functions in stochastic oil reservoir simulations

In this paper, we develop an improved multilevel Monte Carlo (MLMC) method for estimating cumulative distribution functions (CDFs) of a quantity of interest, coming from numerical approximation of large-scale stochastic subsurface simulations. Compared with Monte Carlo (MC) methods, that require a significantly large number of high-fidelity model executions to achieve a prescribed accuracy when computing statistical expectations, MLMC methods were originally proposed to significantly reduce the computational cost with the use of multifidelity approximations. The improved performance of the MLMC methods depends strongly on the decay of the variance of the integrand as the level increases. However, the main challenge in estimating CDFs is that the integrand is a discontinuous indicator function whose variance decays slowly. To address this difficult task, we approximate the integrand using a smoothing function that accelerates the decay of the variance. In addition, we design a novel a posteriori optimization strategy to calibrate the smoothing function, so as to balance the computational gain and the approximation error. The combined proposed techniques are integrated into a very general and practical algorithm that can be applied to a wide range of subsurface problems for high-dimensional uncertainty quantification, such as a fine-grid oil reservoir model considered in this effort. The numerical results reveal that with the use of the calibrated smoothing function, the improved MLMC technique significantly reduces the computational complexity compared to the standard MC approach. Finally, we discuss several factors that affect the performance of the MLMC method and provide guidance for effective and efficient usage in practice.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Robust measurement of microbial reduction of graphene oxide nanoparticles using image analysis

ABSTRACT Shewanella oneidensis ( S. oneidensis ) has the capacity to reduce electron acceptors within a medium and is thus used frequently in microbial fuel generation, pollutant breakdown, and nanoparticle fabrication. Microbial fuel setups, however, often require costly or labor-intensive components, thus making optimization of their performance onerous. For rapid optimization of setup conditions, a model reduction assay can be employed to allow simultaneous, large-scale experiments at lower cost and effort. Since S. oneidensis uses different extracellular electron transfer pathways depending on the electron acceptor, it is essential to use a reduction assay that mirrors the pathways employed in the microbial fuel system. For microbial fuel setups that use nanoparticles to stimulate electron transfer, reduction of graphene oxide provides a more accurate model than other commonly used assays as it is a bulk material that forms flocculates in solutions with a large ionic component. However, graphene oxide flocculates can interfere with traditional absorbance-based measurement techniques. This study introduces a novel image analysis method for quantifying graphene oxide reduction, showing improved performance and statistical accuracy over traditional methods. A comparative analysis shows that the image analysis method produces smaller errors between replicates and reveals more statistically significant differences between samples than traditional plate reader measurements under conditions causing graphene oxide flocculation. Image analysis can also detect reduction activity at earlier time points due to its use of larger solution volumes, enhancing color detection. These improvements in accuracy make image analysis a promising method for optimizing microbial fuel cells that use nanoparticles or bulk substrates. IMPORTANCE Shewanella oneidensis ( S. oneidensis ) is widely used in reduction processes such as microbial fuel generation due to its capacity to reduce electron acceptors. Often, these setups are labor-intensive to operate and require days to produce results, so use of a model assay would reduce the time and expenses needed for optimization. Our research developed a novel digital analysis method for analysis of graphene oxide flocculates that may be utilized as a model assay for reduction platforms featuring nanoparticles. Use of this model reduction assay will enable rapid optimization and drive improvements in the microbial fuel generation sector.

Bennett, Danielle T. (ORCID:0009000188748827)↗

REVISED MASS-TO-LIGHT RATIOS FOR NEARBY GALAXY GROUPS AND CLUSTERS

We present a detailed investigation of the cluster stellar mass-to-light (M*/L) ratio and cumulative stellar masses, derived on a galaxy-by-galaxy basis, for 12 massive (M {sub 500} ∼ 10{sup 14}-10{sup 15} M {sub ☉}), nearby clusters with available optical imaging data from the Sloan Digital Sky Survey Data Release 10 and X-ray data from the Chandra X-ray Observatory. Our method involves a statistical cluster membership using both photometric and spectroscopic redshifts when available to maximize completeness while minimizing contamination effects. We show that different methods of estimating the stellar mass-to-light ratio from observed photometry result in systematic discrepancies in the total stellar masses and average mass-to-light ratios of cluster galaxies. Nonetheless, all conversion methodologies point to a lack of correlation between M*/L{sub i} and total cluster mass, even though low-mass groups contain relatively more blue galaxies. We also find no statistically significant correlation between M*/L{sub i} and the fraction of blue galaxies (g – i < 0.85). For the mass range covered by our sample, the assumption of a Chabrier initial mass function (IMF) yields an integrated M*/L{sub i} ≅ 1.7 ± 0.2 M {sub ☉}/L {sub i,} {sub ☉}, a lower value than used in most similar studies, though consistent with the study of low-mass galaxy groups by Leauthaud et al. A light (diet) Salpeter IMF would imply a ∼60% increase in M*/L{sub i}.

79 ASTRONOMY AND ASTROPHYSICS↗

Exascale granular microstructure reconstruction in 3D volumes of arbitrary geometries with generative learning

Reconstructing 3D granular microstructures within volumes of arbitrary geometries from limited 2D image data is crucial for predicting the material properties, as well as performances of structural components accounting for material microstructural effects. We present a novel generative learning framework that enables exascale reconstruction of granular microstructures within complex 3D geometric volumes. Building upon existing transfer learning techniques using pre-trained convolutional neural networks (CNN), we introduce several key innovations to overcome the difficulties inherent in arbitrary geometries. Our framework incorporates periodic boundary conditions using circular padding techniques, ensuring continuity and representativeness of the reconstructed microstructures. We also introduce a novel seamless transition reconstruction (STR) method that creates statistically equivalent transition zones to integrate multiple pre-existing 3D microstructure volumes. Based on STR, we propose a cost-effective strategy for reconstructing microstructures within complex geometric volumes, minimizing computational waste. Validation through numerical experiments using kinetic Monte Carlo simulations demonstrates accurate reproduction of grain statistics, including grain size distributions and morphology. A case study involving the reconstruction of a 4-blade propeller microstructure illustrates the method’s capability to efficiently handle complex geometries. In conclusion, the proposed framework significantly reduces computational demands while maintaining high reconstruction quality, paving the way for scalable microstructure reconstruction in materials design and analysis.

36 MATERIALS SCIENCE↗

Inferring Viral Transmission Time from Phylogenies for Known Transmission Pairs

When the time of an HIV transmission event is unknown, methods to identify it from virus genetic data can reveal the circumstances that enable transmission. We developed a single-parameter Markov model to infer transmission time from an HIV phylogeny constructed of multiple virus sequences from people in a transmission pair. Our method finds the statistical support for transmission occurring in different possible time slices. We compared our time-slice model results to previously described methods: a tree-based logical transmission interval, a simple parsimony-like rules-based method, and a more complex coalescent model. Across simulations with multiple transmitted lineages, different transmission times relative to the source’s infection, and different sampling times relative to transmission, we found that overall our time-slice model provided accurate and narrower estimates of the time of transmission. We also identified situations when transmission time or direction was difficult to estimate by any method, particularly when transmission occurred long after the source was infected and when sampling occurred long after transmission. Applying our model to real HIV transmission pairs showed some agreement with facts known from the case investigations. We also found, however, that uncertainty on the inferred transmission time was driven more by uncertainty from time calibration of the phylogeny than from the model inference itself. Encouragingly, comparable performance of the Markov time-slice model and the coalescent model—which make use of different information within a tree—suggests that a new method remains to be described that will make full use of the topology and node times for improved transmission time inference.

59 BASIC BIOLOGICAL SCIENCES↗

The Past, Present and Future of Structural Health Monitoring: An Overview of Three Ages

This paper presents an overview of the discipline of structural health monitoring (SHM), organised in terms of three proposed ages. The first age is delineated by the prehistory of SHM and the period where nondestructing testing methods evolved into an organised set of principles built upon physics-based models; this age ended when the model-based approaches reached an impasse in terms of their ability to properly deal with real-world problems. The second age of SHM began with a transition to data-based methods based on statistical pattern recognition, which provided a holistic approach to SHM problems for the first time. This age arguably ended when the methods foundered in situations where the necessary training data were scarce. It is argued here that the third age began with the development of population-based SHM, which has been designed to overcome the problem of data scarcity. As there is very limited space in a single article to provide a comprehensive overview, an appendix has been provided here that gives a very systematic bibliography of SHM reviews—a meta-bibliography.

60 APPLIED LIFE SCIENCES↗

SU-D-207-06: Clinical Validations of Shading Correction for Cone-Beam CT Using Planning CT as a Prior

Purpose: Current cone-beam CT (CBCT) images contain severe shading artifacts mainly due to scatter, hindering their quantitative use in current radiation therapy. We have previously proposed an effective shading correction method for CBCT using planning CT (pCT) as prior knowledge. In this work, we investigate the method robustness via statistical analyses on studies of a large patient group and compare the performance with that of a state-of-the-art method implemented on the current commercial radiation therapy machine -- the Varian Truebeam system. Methods: Since radiotherapy patients routinely undergo multiple-detector CT (MDCT) scans in the planning procedure, we use the high-quality pCT as “free” prior knowledge for CBCT image improvement. The CBCT image with no correction is first spatially registered with the pCT. Primary CBCT projections are estimated via forward projections of the registered image. The low frequency errors in the projections, which stem from mainly scatter, are estimated by filtering the difference between original line integral and the estimated scatter projections. The corrected CBCT image is then reconstructed from the scatter corrected projections. The proposed method is evaluated on 40 cancer patients. Results: On all patient images, we compare errors on CT number, spatial non-uniformity (SNU) and image contrast, using pCT as the ground truth. T-tests show that our algorithm improves over the Varian method on CBCT accuracies of CT number and SNU with 90% confident. The average CT number error is reduced from 54.8 HU on the Varian method to 40.9 HU, and the SNU error is reduced from 7.7% to 3.8%. There is no obvious improvement on image contrast. Conclusion: Large-group patient studies show that the proposed pCT-based algorithm outperforms the Varian method of the Truebeam system on CBCT shading correction, by providing CBCT images with higher CT number accuracy and greater image uniformity.

60 APPLIED LIFE SCIENCES↗

Classification of Photovoltaic Failures with Hidden Markov Modeling, an Unsupervised Statistical Approach

Failure detection methods are of significant interest for photovoltaic (PV) site operators to help reduce gaps between expected and observed energy generation. Current approaches for field-based fault detection, however, rely on multiple data inputs and can suffer from interpretability issues. In contrast, this work offers an unsupervised statistical approach that leverages hidden Markov models (HMM) to identify failures occurring at PV sites. Using performance index data from 104 sites across the United States, individual PV-HMM models are trained and evaluated for failure detection and transition probabilities. This analysis indicates that the trained PV-HMM models have the highest probability of remaining in their current state (87.1% to 93.5%), whereas the transition probability from normal to failure (6.5%) is lower than the transition from failure to normal (12.9%) states. A comparison of these patterns using both threshold levels and operations and maintenance (O&M) tickets indicate high precision rates of PV-HMMs (median = 82.4%) across all of the sites. Although additional work is needed to assess sensitivities, the PV-HMM methodology demonstrates significant potential for real-time failure detection as well as extensions into predictive maintenance capabilities for PV.

classification↗

The impact of detection rate changes and correlations on random-coincidence background measurements

Coincidence detection of multiple particles emitted during an experiment can yield a new depth of understanding of the underlying process under study. However, the probability of detecting particles that are generated from the same physical event within a given coincidence time window is generally much lower than that of detecting particles that appear in the same coincidence time window, but were not created from the same physical event, and are therefore detected randomly in coincidence with each other. Thus, accurate and precise methods of measuring this random-coincidence background are essential for a wide variety of fields of science. A method to determine this background directly using the data themselves without any additional experimental run time or fake signals introduced in the data was recently established (O’Donnell, 2016). This method yields a statistical uncertainty on the random-coincidence background that is orders of magnitude smaller than that of the true coincidence data, though the potential for systematic errors of backgrounds from this method was never explored. In this work, we discuss common varieties of correlated and uncorrelated changes in the detection rates of each particle detected in an experiment. Here we demonstrate here that a correlation between particle detection rates from, for example, an incident particle beam that initiates a physical process of interest, creates systematic errors in the random-coincidence background measurement. We also discuss the impact of a variety of other realistic scenarios for rate changes in experiments. Lastly, a method is introduced to correct for errors in the random-coincidence background from any source, yielding an optimization between statistical precision and eliminating potential lingering systematic errors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Experiments, Statistical Analysis, and Modeling to Evaluate the Porosity Influence in SPS Coatings

Suspension plasma spray (SPS) is far more complicated than conventional plasma spray and requires a deep knowledge about the influence of process parameters and their correlations. In this study, YSZ coatings were manufactured by SPS with six different process parameters such as plasma power, suspension mass load, original powder size, substrate surface topology, spray distance, and spray step. Then, the porosity of as-prepared coatings was investigated by image method and X-ray transmission technique. A multivariate analysis on the collected experimental data was carried out by employing mathematical statistics methods. The results showed that: 1) Coating porosity has a negative correlation with plasma power and suspension mass load and a positive correlation with the original powder size, spray distance, spray step, and substrate roughness; 2) Spraying distance is the main factor affecting to coating porosity, followed by suspension mass load and substrate surface roughness, respectively. A linear model for porosity prediction was developed and was verified by experiments. Furthermore, the mechanism by which process parameters influence coating porosity is additionally discussed.

36 MATERIALS SCIENCE↗

Probabilistic evolution of stochastic dynamical systems: A meso-scale perspective

Stochastic dynamical systems arise naturally across nearly all areas of science and engineering. Typically, a dynamical system model is based on some prior knowledge about the underlying dynamics of interest in which probabilistic features are used to quantify and propagate uncertainties associated with the initial conditions, external excitations, etc. From a probabilistic modeling standing point, two broad classes of methods exist, i.e. macro-scale methods and micro-scale methods. Classically, macro-scale methods such as statistical moments-based strategies are usually too coarse to capture the multi-mode shape or tails of a non-Gaussian distribution. Micro-scale methods such as random samples-based approaches, on the other hand, become computationally very challenging in dealing with high-dimensional stochastic systems. In view of these potential limitations, a meso-scale scheme is proposed here that utilizes a meso-scale statistical structure to describe the dynamical evolution from a probabilistic perspective. The significance of this statistical structure is twofold. First, it can be tailored to any arbitrary random space. Second, it not only maintains the probability evolution around sample trajectories but also requires fewer meso-scale components than the micro-scale samples. To demonstrate the efficacy of the proposed meso-scale scheme, a set of examples of increasing complexity are provided. Connections to the benchmark stochastic models as conservative and Markov models along with practical implementation guidelines are presented.

97 MATHEMATICS AND COMPUTING↗

Topological data analysis and machine learning for recognizing atmospheric river patterns in large climate datasets

Identifying weather patterns that frequently lead to extreme weather events is a crucial first step in understanding how they may vary under different climate change scenarios. Here, we propose an automated method for recognizing atmospheric rivers (ARs) in climate data using topological data analysis and machine learning. The method provides useful information about topological features (shape characteristics) and statistics of ARs. We illustrate this method by applying it to outputs of version 5.1 of the Community Atmosphere Model version 5.1 (CAM5.1) and the reanalysis product of the second Modern-Era Retrospective Analysis for Research and Applications (MERRA-2). An advantage of the proposed method is that it is threshold-free – there is no need to determine any threshold criteria for the detection method – when the spatial resolution of the climate model changes. Hence, this method may be useful in evaluating model biases in calculating AR statistics. Further, the method can be applied to different climate scenarios without tuning since it does not rely on threshold conditions. We show that the method is suitable for rapidly analyzing large amounts of climate model and reanalysis output data.

54 ENVIRONMENTAL SCIENCES↗

Measurements of three-flavor neutrino oscillations from a PISCES two-detector fit to the NOvA Experiment data

NOvA is a long-baseline neutrino oscillation experiment with two functionally identical detectors: a Near Detector (ND) at Fermilab, placed 1 km from the neutrino source, and a Far Detector (FD) located 810 km away from the ND in Minnesota. NOvA s primary physics goals are to measure the neutrino oscillation parameters $\theta_{23}$ and $\Delta m^2_{32}$ with high precision, determine the neutrino mass hierarchy, and constrain the value of $\delta_{CP}$, primarily via the study of muon neutrino to electron neutrino oscillation. Extracting values for oscillation parameters from fits to data usually relies on treating systematic uncertainties as nuisance parameters, a strategy that suffers from poor scalability as the number of uncertainties becomes larger. This work introduces PISCES (Parameter Inference with Systematic Covariance and Exact Statistics), a novel method that circumvents this scalability problem by encoding systematic uncertainties into a covariance matrix. PISCES utilizes a nested minimization in which optimal systematic pulls are first computed using the covariance matrix in an inner minimization step, then the oscillation parameters are profiled over in the outer minimization. PISCES also uses a Poisson Likelihood term, making it ideal for the inclusion of low-statistic samples in the fits. PISCES is a flexible framework that also supports complex fits, such as a joint Near and Far detector fit. In the standard NOvA analysis, oscillation parameters are extracted using an extrapolation technique in which the ND data indirectly constrain the FD prediction via a ratio method. PISCES, on the other hand, enables a simultaneous ND+FD fit, allowing the high-statistics ND data to directly constrain systematic uncertainties across all samples. This thesis presents the full PISCES joint ND+FD fit for the NOvA three-flavor analysis, details its implementation, and evaluates its performance through extensive robustness tests and fake data studies. It also provides a comparison between the PISCES joint ND+FD results and the standard NOvA extrapolation method using the full NOvA 10-year data set. The results demonstrate that PISCES can successfully fit NOvA data while incorporating the constraints from the ND detectors consistently, using physically motivated systematic uncertainties to account for data/MC discrepancies.

Rajaoalisoa, Miriama [Cincinnati U.]↗

Enhanced data validation strategy of air quality monitoring network

Quick validation and detection of faults in measured air quality data is a crucial step towards achieving the objectives of air quality networks. Therefore, the objectives of this paper are threefold: (i) to develop a modeling technique that can be used to predict the normal behavior of air quality variables and help provide accurate reference for monitoring purposes; (ii) to develop fault detection method that can effectively and quickly detect any anomalies in measured air quality data. For this purpose, a new fault detection method that is based on the combination of generalized likelihood ratio test (GLRT) and exponentially weighted moving average (EWMA) will be developed. GLRT is a well-known statistical fault detection method that relies on maximizing the detection probability for a given false alarm rate. In this paper, we propose to develop GLRT-based EWMA fault detection method that will be able to detect the changes in the values of certain air quality variables; (iii) to develop fault isolation and identification method that allows defining the fault source(s) in order to properly apply appropriate corrective actions. In this paper, reconstruction approach that is based on Midpoint-Radii Principal Component Analysis (MRPCA) model will be developed to handle the types of data and models associated with air quality monitoring networks. All air quality modeling, fault detection, fault isolation and reconstruction methods developed in this paper will be validated using real air quality data (such as particulate matter, ozone, nitrogen and carbon oxides measurement).

54 ENVIRONMENTAL SCIENCES↗

Using spatio-temporal graph neural networks to estimate fleet-wide photovoltaic performance degradation patterns

Accurate estimation of photovoltaic (PV) system performance is crucial for determining its feasibility as a power generation technology and financial asset. PV-based energy solutions offer a viable alternative to traditional energy resources due to their superior Levelized Cost of Energy (LCOE). A significant challenge in assessing the LCOE of PV systems lies in understanding the Performance Loss Rate (PLR) for large fleets of PV systems. Estimating the PLR of PV systems becomes increasingly important in the rapidly growing PV industry. Precise PLR estimation benefits PV users by providing real-time monitoring of PV module performance, while explainable PLR estimation assists PV manufacturers in studying and enhancing the performance of their products. However, traditional PLR estimation methods based on statistical models have notable drawbacks. Firstly, they require user knowledge and decision-making. Secondly, they fail to leverage spatial coherence for fleet-level analysis. Additionally, these methods inherently assume the linearity of degradation, which is not representative of real world degradation. To overcome these challenges, we propose a novel graph deep learning-based decomposition method called the Spatio-Temporal Graph Neural Network for fleet-level PLR estimation (PV-stGNN-PLR). PV-stGNN-PLR decomposes the power timeseries data into aging and fluctuation components, utilizing the aging component to estimate PLR. PV-stGNN-PLR exploits spatial and temporal coherence to derive PLR estimation for all systems in a fleet and imposes flatness and smoothness regularization in loss function to ensure the successful disentanglement between aging and fluctuation. We have evaluated PV-stGNN-PLR on three simulated PV datasets consisting of 100 inverters from 5 sites. Experimental results show that PV-stGNN-PLR obtains a reduction of 33.9% and 35.1% on average in Mean Absolute Percent Error (MAPE) and Euclidean Distance (ED) in PLR degradation pattern estimation compared to the state-of-the-art PLR estimation methods.

14 SOLAR ENERGY↗

Machine Learning Approaches for Predicting Radiation Therapy Outcomes: A Clinician's Perspective

Radiation oncology has always been deeply rooted in modeling, from the early days of isoeffect curves to the contemporary Quantitative Analysis of Normal Tissue Effects in the Clinic (QUANTEC) initiative. In recent years, medical modeling for both prognostic and therapeutic purposes has exploded thanks to increasing availability of electronic data and genomics. One promising direction that medical modeling is moving toward is adopting the same machine learning methods used by companies such as Google and Facebook to combat disease. Broadly defined, machine learning is a branch of computer science that deals with making predictions from complex data through statistical models. These methods serve to uncover patterns in data and are actively used in areas such as speech recognition, handwriting recognition, face recognition, “spam” filtering (junk email), and targeted advertising. Although multiple radiation oncology research groups have shown the value of applied machine learning (ML), clinical adoption has been slow due to the high barrier to understanding these complex models by clinicians. Here, we present a review of the use of ML to predict radiation therapy outcomes from the clinician's point of view with the hope that it lowers the “barrier to entry” for those without formal training in ML. We begin by describing 7 principles that one should consider when evaluating (or creating) an ML model in radiation oncology. We next introduce 3 popular ML methods—logistic regression (LR), support vector machine (SVM), and artificial neural network (ANN)—and critique 3 seminal papers in the context of these principles. Although current studies are in exploratory stages, the overall methodology has progressively matured, and the field is ready for larger-scale further investigation.

62 RADIOLOGY AND NUCLEAR MEDICINE↗