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At least 937 records · Page 52

Surrogate modeling for efficiently, accurately and conservatively estimating measures of risk

We present a surrogate modeling framework for conservatively estimating measures of risk from limited realizations of an expensive physical experiment or computational simulation. Risk measures combine objective probabilities with the subjective values of a decision maker to quantify anticipated outcomes. Given a set of samples, we construct a surrogate model that produces estimates of risk measures that are always greater than their empirical approximations obtained from the training data. These surrogate models limit over-confidence in reliability and safety assessments and produce estimates of risk measures that converge much faster to the true value than purely sample-based estimates. We first detail the construction of conservative surrogate models that can be tailored to a stakeholder’s risk preferences and then present an approach, based on stochastic orders, for constructing surrogate models that are conservative with respect to families of risk measures. Our surrogate models include biases that permit them to conservatively estimate the target risk measures. We provide theoretical results that show that these biases decay at the same rate as the L 2 error in the surrogate model. Numerical demonstrations confirm that risk-adapted surrogate models do indeed overestimate the target risk measures while converging at the expected rate.

42 ENGINEERING↗

Exploring Saccharomycotina Yeast Ecology Through an Ecological Ontology Framework

Yeasts in the subphylum Saccharomycotina are found across the globe in disparate ecosystems. A major aim of yeast research is to understand the diversity and evolution of ecological traits, such as carbon metabolic breadth, insect association, and cactophily. This includes studying aspects of ecological traits like genetic architecture or association with other phenotypic traits. Genomic resources in the Saccharomycotina have grown rapidly. Ecological data, however, are still limited for many species, especially those only known from species descriptions where usually only a limited number of strains are studied. Moreover, ecological information is recorded in natural language format limiting high throughput computational analysis. To address these limitations, we developed an ontological framework for the analysis of yeast ecology. A total of 1,088 yeast strains were added to the Ontology of Yeast Environments (OYE) and analyzed in a machine-learning framework to connect genotype to ecology. This framework is flexible and can be extended to additional isolates, species, or environmental sequencing data. Widespread adoption of OYE would greatly aid the study of macroecology in the Saccharomycotina subphylum.

59 BASIC BIOLOGICAL SCIENCES↗

Enhancing nuclear data validation analysis by using machine learning

In this work, we demonstrate how machine learning (ML) techniques can be used as an auxiliary tool for nuclear data validation analysis. The output of the ML analysis can inform evaluators and validators on the quality, or lack thereof, of specific nuclear data and benchmark experiments with respect to simulating these experimental benchmark values. To this end, measured and simulated effective neutron multiplication factors, k eff , of 875 selected ICSBEP critical assemblies and the latter's sensitivities with respect to nuclear data as well as benchmarks' features (e.g., material nuclide, core geometry) are used as input for a random forest (RF) regression model. The RF is used to encode the complex inter-dependencies between thousands of nuclear data features (i.e., sensitivity profiles and aspects describing the measurements) and 875 simulated and experimental k eff values in order to understand what nuclear data features are most informative for predicting bias. The complexity of relationships and high-dimensional space is difficult-to-impossible to search fully using simply expert judgment. As a first proof-of-concept—step, it is demonstrated that this technique is able to correctly trace large discrepancies between simulated and experimental k eff back to fabricated shortcomings in nuclear data that were perturbed to simulated k eff values. In a second, real-case scenario, step, the RF algorithm is used to validate the ENDF/B-VIII.0 library in comparison to ENDF/B-VII.1 nuclear data. One case is showcased where the chosen ML algorithms highlighted nuclear data (the 19 F(n,inl) cross section from 0.4–0.9 MeV) that are shown to be problematic by comparing them to associated differential experimental data and nuclear data from other libraries. In addition to that, it is shown that the RF results point towards poor benchmark experiments and associated underestimated uncertainties (e.g., the PU-SOL-THERM-028 series). However, using the RF algorithm for validating nuclear data with respect to k eff is currently limited to pinpointing groups of questionable nuclear data due to the inherent correlations between features introduced by the nuclear data themselves and how k eff is simulated. Due to this, we recommend that the ML methods presented be used to augment—rather than replace—the expert knowledge of evaluators and validators.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Transmission Data-Driven User-Defined Model for Inverter-based and Conventional Power Plants

Recent events in Odessa [1], [2] have shed light on the complexities of integrating large Inverter-Based Resource (IBR) plants with the transmission system, prompting NERC to stress continuous performance monitoring by transmission operators. Challenges such as plant control updates, IBR model revisions, Phase-locked loop loss of synchronism, and protection events have been identified, underscoring the need for enhanced monitoring protocols by regulatory bodies. The recent FERC 901 order underscores the importance of accurate data exchange regarding IBRs for reliability studies. However, limited access to IBR plant-related data hampers effective decision-making for transmission operators (TOP). This paper proposes a method for constructing data-driven User-Defined dynamic Models (UDM) for power plants for validating multiple-event data using field measurements from interconnection bus locations. The problem is formulated as a power plant model identification problem and a multi-task learning approach under partial input observability assumptions is proposed in this work. This approach aims to predict aggregated responses of conventional and IBR power plants during various dynamic physical events which is useful for planning studies under diverse disturbance conditions. Ultimately, this methodology emphasizes the importance of plant visibility to operators in addressing power system challenges, facilitating improved planning and operational studies.

Mahapatra, Kaveri [BATTELLE (PACIFIC NW LAB)]↗

Temporally-consistent koopman autoencoders for forecasting dynamical systems

Absence of sufficiently high-quality data often poses a key challenge in data-driven modeling of high-dimensional spatio-temporal dynamical systems. Koopman Autoencoders (KAEs) harness the expressivity of deep neural networks (DNNs), the dimension reduction capabilities of autoencoders, and the spectral properties of the Koopman operator to learn a reduced-order feature space with simpler, linear dynamics. However, the effectiveness of KAEs is hindered by limited and noisy training datasets, leading to poor generalizability. To address this, we introduce the Temporally-Consistent Koopman Autoencoder (tcKAE), designed to generate accurate long-term predictions even with limited and noisy training data. This is achieved through a consistency regularization term that enforces prediction coherence across different time steps, thus enhancing the robustness and generalizability of tcKAE over existing models. We provide analytical justification for this approach based on Koopman spectral theory and empirically demonstrate tcKAE’s superior performance over state-of-the-art KAE models across a variety of test cases, including simple pendulum oscillations, kinetic plasma, and fluid flow data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Geologic Characterization of the South Georgia Rift Basin for Source Proximal CO2 Storage

The project Geologic Characterization of the South Georgia Rift Basin for Source Proximal CO2 Storage is one of 9 site characterization projects that were implemented as part of ARRA (American Recovery and Reinvestment Act). Data from this project was used to improve resolution of data in NATCARB in the area of study. Data related to this study has already been incorporated in NATCARB Atlas. The South Carolina Research Foundation and partners evaluated the feasibility of CCS in the Jurassic/ Triassic (J / TR) saline formations of the buried Mesozoic South Georgia Rift (SGR) Basin that extends from South Carolina into Georgia. The J / TR sequence, based on preliminary assessment of limited geologic and geophysical data, appears to have both the appropriate areal extent and multiple horizons to permanently and safely store CO2 The presence of several igneous rock layers within the sequence may potentially provide adequate seals to prevent upward CO2 migration into the Coastal Plain aquifer systems. Approximately 81 kilometers of 2-D seismic reflection data were collected by Bay Geophysical, Inc. to explore a portion of the SGR located in southern Georgia. The 81 kilometers were divided into two lines approximately 40.5 kilometers each, with Line 1 intersecting Georgia well GGS 3457. Line 2 intersects Line 1 at the southern portion of Line 1 to maximize the extent of coverage away from GGS-3457 (a deep well drilled in the 1980s for oil and gas exploration). This well had a set of usable logs, including gamma and neutron logs that provided promising results related to CO2 storage. Results showed sandstone with porosity values greater than 10 percent and a thickness of 120 meters. The design of the seismic shot was to extrapolate information away from the well and to better define the extent of the SGR and the necessary reservoir and caprock for a successful CO2 injection. A numerical simulation model of CO2 Injection and migration was developed based on the geology log for the GGS-3457 well. The simulation model was used to investigate the feasibility of injecting 30 million metric tons of CO2 into SGR J / TA sediments and integrity of the diabase layers as seals to prevent CO2 migration.

2-D seismic↗

A machine-learning-aided data recovery approach for predicting multi-material thermal behaviors in advanced test reactor capsules

Instrumented experiments conducted at test reactors are essential to the deployment of new advanced reactor systems. Designing new experiments and generating data on specific reactor conditions require significant investments in terms of both time and cost. Finite element analysis software can be used to create high-fidelity models of experiment environments in order to support the actual experiments, but computation time remains a concern in terms of applying outcomes to real-time usage of data (e.g., a digital twin [DT]). Here, the present research proposes a machine-learning (ML) aided approach to making temperature and displacement predictions based on the thickness of the outer gas gap on the experimental capsule used for in-pile demonstration of a novel new thermal conductivity probe in the Advanced Test Reactor (ATR). This capsule consisted of U10Zr fuel, a rodlet, sodium, and inner and outer capsules. Gas gaps existed between the fuel and the rodlet, and between the inner and the outer capsule. The learning data pertained to an experimental capsule's radial distributions of temperature and displacement, as obtained based on Abaqus and the physical features. For the first step of ML sequence, the temperature was predicted using three positional parameters. Next, the displacement was predicted using seven additional parameters. Each physical feature was normalized in order to be both nondimensional and standardized. The temperature and displacement predictions showed good agreement with the simulation results in all cases involving interpolation and extrapolation. Furthermore, data similarity enhancement increased the similarity between the training and the target data, thereby increasing the predictive accuracy of the ML models. In certain extrapolation cases involving limited original ML model accuracy, data similarity enhancement and data recovery was able to somewhat improve this accuracy.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Data-Driven Model for Photovoltaic Generation: Comparison with Physical Models Using a Microgrid in Puerto Rico

Photovoltaic (PV) generation is a critical component of microgrids, but its accurate modeling is challenging due to the complex and dynamic interactions between solar irradiance, temperature, and PV system installation. This paper develops a multilayer perceptron (MLP) model that inputs solar irradiance and temperature to estimate the PV generation, and it compares the proposed data-driven model’s performance to two well-known physical models: the single-diode model and the inverter model. The results demonstrate that all the models can reach high levels of accuracy. However, the MLP model outperforms the physical models on average by 4.5 to 6.6 percent in R squared scores and 220 to 290 Watts in RMSE scores, and it does not require physical system parameters. Moreover, the data-driven model can overcome the limitations of the lack of real-time PV generation data.

R pesante colón, Marcos↗

Meteorological services annual data report for 2019

This document presents the meteorological data collected at Brookhaven National Laboratory (BNL) by Meteorological Services (Met Services) for the calendar year 2019. The purpose is to publicize the data sets available to emergency personnel, researchers and facility operations. Met services has been collecting data at BNL since 1949. Data from 1994 to the present is available in digital format. Data is presented in monthly plots of one-minute data. This allows the reader the ability to peruse the data for trends or anomalies that may be of interest to them. Full data sets are available to BNL personnel and to a limited degree outside researchers. The full data sets allow plotting the data on expanded time scales to obtain greater details (e.g., daily solar variability, inversions, etc.).

54 ENVIRONMENTAL SCIENCES↗

Meteorological services annual data report for 2020

This document presents the meteorological data collected at Brookhaven National Laboratory (BNL) by Meteorological Services (Met Services) for the calendar year 2020. The purpose is to publicize the data sets available to emergency personnel, researchers and facility operations. Met services has been collecting data at BNL since 1949. Data from 1994 to the present is available in digital format. Data is presented in monthly plots of one-minute data. This allows the reader the ability to peruse the data for trends or anomalies that may be of interest to them. Full data sets are available to BNL personnel and to a limited degree outside researchers. The full data sets allow plotting the data on expanded time scales to obtain greater details (e.g., daily solar variability, inversions, etc.).

54 ENVIRONMENTAL SCIENCES↗

Meteorological Services Annual Data Report for 2021

This document presents the meteorological data collected at Brookhaven National Laboratory (BNL) by Meteorological Services (Met Services) for the calendar year 2021. The purpose is to publicize the data sets available to emergency personnel, researchers and facility operations. Met services has been collecting data at BNL since 1949. Data from 1994 to the present is available in digital format. Data is presented in monthly plots of one-minute data. This allows the reader the ability to peruse the data for trends or anomalies that may be of interest to them. Full data sets are available to BNL personnel and to a limited degree outside researchers. The full data sets allow plotting the data on expanded time scales to obtain greater details (e.g., daily solar variability, inversions, etc.).

54 ENVIRONMENTAL SCIENCES↗

Meteorological Services Annual Data Report for 2022

This document presents the meteorological data collected at Brookhaven National Laboratory (BNL) by Meteorological Services (Met Services) for the calendar year 2022. The purpose is to publicize the data sets available to emergency personnel, researchers and facility operations. Met services has been collecting data at BNL since 1949. Data from 1994 to the present is available in digital format. Data is presented in monthly plots of one-minute data. This allows the reader the ability to peruse the data for trends or anomalies that may be of interest to them. Full data sets are available to BNL personnel and to a limited degree outside researchers. The full data sets allow plotting the data on expanded time scales to obtain greater details (e.g., daily solar variability, inversions, etc.).

54 ENVIRONMENTAL SCIENCES↗

Meteorological Services Annual Data Report for 2023

This document presents the meteorological data collected at Brookhaven National Laboratory (BNL) by Meteorological Services (Met Services) for the calendar year 2023. The purpose is to publicize the data sets available to emergency personnel, researchers and facility operations. Met services has been collecting data at BNL since 1949. Data from 1994 to the present is available in digital format. Data is presented in monthly plots of one-minute data. This allows the reader the ability to peruse the data for trends or anomalies that may be of interest to them. Full data sets are available to BNL personnel and to a limited degree outside researchers. The full data sets allow plotting the data on expanded time scales to obtain greater details (e.g., daily solar variability, inversions, etc.).

54 ENVIRONMENTAL SCIENCES↗

Meteorological Services Annual Data Report for 2024

This document presents the meteorological data collected at Brookhaven National Laboratory (BNL) by Meteorological Services (Met Services) for the calendar year 2024. The purpose is to publicize the data sets available to emergency personnel, researchers and facility operations. Met services has been collecting data at BNL since 1949. Data from 1994 to the present is available in digital format. Data is presented in monthly plots of one-minute data. This allows the reader the ability to peruse the data for trends or anomalies that may be of interest to them. Full data sets are available to BNL personnel and to a limited degree outside researchers. The full data sets allow plotting the data on expanded time scales to obtain greater details (e.g., daily solar variability, inversions, etc.).

54 ENVIRONMENTAL SCIENCES↗

Development of a Supercharged Octane Number and a Supercharged Octane Index

Gasoline knock resistance is characterized by the Research and Motor Octane Number (RON and MON), which are rated on the CFR octane rating engine at naturally aspirated conditions. However, modern automotive downsized boosted spark ignition (SI) engines generally operate at higher cylinder pressures and lower temperatures relative to the RON and MON tests. Using the naturally aspirated RON and MON ratings, the octane index (OI) characterizes the knock resistance of gasolines under boosted operation by linearly extrapolating into boosted “beyond RON” conditions via RON, MON, and a linear regression K factor. Using OI solely based on naturally aspirated RON and MON tests to extrapolate into boosted conditions can lead to significant errors in predicting boosted knock resistance between gasolines due to non-linear changes in autoignition and knocking characteristics with increasing pressure conditions. Here, a new “Supercharged Octane Number” (SON) method was developed on the CFR engine at increased intake pressures, which improved the correlation to boosted knock-limited automotive SI engine data over RON for several surrogate fuels and gasolines, including five “Co-Optima” RON 98 fuels and an E10 regular grade gasoline. Furthermore, the conventional OI was extended to a newly introduced Supercharged Octane Index (OI S ) based on SON and RON, which significantly improved the correlation to fuel knock resistance measurements from modern boosted SI engine knock-limited spark advance tests. This demonstrated the first proof of concept of a SON and OI S to better characterize a fuel’s knock resistance in modern boosted SI engines.

42 ENGINEERING↗

Characterization of a modified printed optical particle spectrometer for high-frequency and high-precision laboratory and field measurements

Abstract. The printed optical particle spectrometer (POPS) is a lightweight, low-cost instrument for measurements of aerosol number concentrations and size distributions. This work reports on modifications of the Handix Scientific commercial version of the POPS to facilitate its use in multi-instrument aerosol sampling systems. The flow system is modified by replacing the internal pump with a needle valve and a vacuum pump. The instrument is integrated into closed-flow systems by routing the sheath flow from filtered inlet air. A high-precision multichannel analyzer (MCA) card is added to sample the analog pulse signal. The MCA card is polled at 10 Hz frequency using an external data acquisition system and improves upon the count-rate limitation associated with the POPS internal data acquisition system. The times required to change the concentration between 90 % and 10 % and vice versa for a step change in concentration were measured to be 0.17 and 0.41 s at a flow rate of 5 cm3 s−1. This yields a sampling frequency of ∼ 1–2 Hz, below which the amplitude of measured fluctuations is captured with > 70 % efficiency. The modified POPS was integrated into the dual tandem differential mobility analyzer system to explore the coalescence of dimer particles. Results show that the pulse-height response increases upon dimer coalescence. The magnitude of the increase is broadly consistent with the change in light-scattering amplitude predicted by the T-matrix method. It is anticipated that this modified version of the POPS will extend the utilization of the technique for a range of field and laboratory applications.

54 ENVIRONMENTAL SCIENCES↗

Pan-sharpening for microscopy

Techniques for generating full-spatial resolution, full spectral resolution image(s) from a 3D spectral-data cube for any spectral value within a given spectral range are provided without requiring the acquisition of all full-spatial resolution, full spectral resolution data by an instrument. The 3D spectral-data cube is generated from a limited number of full-spatial resolution, sparse spectral resolution data and a sparse-spatial resolution, full-spectral resolution data of the same area of the sample. The use of the 3D spectral-data cube reduces the data acquisition time.

Ovchinnikova, Olga S.↗

Uncertain characterization of reservoir fluids due to brittleness of equation of state regression

Equations of state (EoS) play a central role in modeling the phase equilibrium of fluid mixtures. Their parameterization involves fitting a model to experimental data, i.e., solving a nonlinear, non-convex, multivariate optimization problem. The latter requires one to select design variables, domains of definition for each variable, and weights assigned to individual measurements. We demonstrate that subjective choices of an optimization algorithm and an initial guess also impact the regression process. Consequently, EoS predictions are fundamentally uncertain even after the EoS tuning to a limited set of experimental data points. We demonstrate this observation for two hydrocarbon reservoir fluids, in which five properties of the heaviest carbon fraction are treated as design variables. While all the optimization algorithms and initial guesses match experimental data for the gas and liquid properties, the resulting EoS parameterizations lead to dramatically different predictions of the fluid’s thermophysical behavior in the unsampled pressure and temperature regions. In conclusion, we propose the probabilistic treatment of design variables to quantify the predictive uncertainty of the resulting fluid models.

15 GEOTHERMAL ENERGY↗