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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Sheaves as a Framework for Understanding and Interpreting Model Fit

As data grows in size and complexity, finding frameworks which aid in interpretation and analysis has become critical. This is particularly true when data comes from complex systems where extensive structure is available, but must be drawn from peripheral sources. In this paper we argue that in such situations, sheaves can provide a natural framework to analyze how well a statistical model fits at the local level (that is, on subsets of related datapoints) vs the global level (on all the data). The sheaf-based approach that we propose is suitably general enough to be useful in a range of applications, from analyzing sensor networks to understanding the feature space of a deep learning model.

Kvinge, Henry J.↗
DOE OSTI2019

climextremes v0.2.1

Software package for R and Python for analysis of extremes in climate data. Functions for fitting GEV and POT (via point process fitting) models for extremes in climate data, providing return values, return probabilities, and return periods for stationary and nonstationary models. Also provides differences in return values and differences in log return probabilities for contrasts of covariate values. Functions for estimating risk ratios for event attribution analyses, including uncertainty. Under the hood, many of the functions use functions from 'extRemes', including for fitting the statistical models.

Krishnan, Harinarayan↗
DOE OSTI2021

In Situ Inference for Earth System Predictability

An understanding of future evolution in precipitation extremes is critical to numerous DOE mission questions. Extreme events are by nature short time-scale events that are difficult to diagnose in available model data. Accurate modeling of extreme events necessarily requires high spatial resolution at the storm scale locally. However, the environment in which storms grow is dependent on global, remote, processes. These complex spatiotemporal relationships are impossible to diagnose at resolutions required to accurately model storms responsible for extreme precipitation. At exascale, climate simulations will produce results at fine enough resolution to investigate these relationships. However, the resulting data from these simulations will be far too large to save for post-simulation analysis. We advocate for fitting statistical models inside the simulations as they run, a context known as in situ, which will facilitate scientific investigations using the full fine-scale data stream. Figure 1 shows an example of the type of model we could consider, a Bayesian hierarchical spatial regression model. Precipitation extremes at each grid cell are modeled using extreme value distributions. Since extremes are rare, fitting models to individual grid cells can result in high variance and poor estimates. Instead, the model can be made more robust by smoothing the parameters of the extreme value model across space. Additionally, the parameters themselves can be functionally linked to other variables elsewhere in the simulation. Thus, we can use the fine-scale data to build more robust models for extremes that link extreme behavior to other climate patterns.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

In Situ Inference for Earth System Predictability

Focal Area: Focal Area 3: Insight gleaned from complex simulated data using AI, big data analytics, and other advanced methods, including explainable AI and physics- or knowledge-guided AI. Science Challenge: An understanding of future evolution in precipitation extremes is critical to numerous DOE mission questions. Extreme events are by nature short time-scale events that are difficult to diagnose in available model data. Accurate modeling of extreme events necessarily requires high spatial resolution at the storm scale locally. However, the environment in which storms grow is dependent on global, remote, processes. These complex spatiotemporal relationships are impossible to diagnose at resolutions required to accurately model storms responsible for extreme precipitation. At exascale, climate simulations will produce results at fine enough resolution to investigate these relationships. However, the resulting data from these simulations will be far too large to save for post-simulation analysis. We advocate for fitting statistical models inside the simulations as they run, a context known as in situ, which will facilitate scientific investigations using the full fine-scale data stream. Figure 1 shows an example of the type of model we could consider, a Bayesian hierarchical spatial regression model. Precipitation extremes at each grid cell are modeled using extreme value distributions. Since extremes are rare, fitting models to individual grid cells can result in high variance and poor estimates. Instead, the model can be made more robust by smoothing the parameters of the extreme value model across space. Additionally, the parameters themselves can be functionally linked to other variables elsewhere in the simulation. Thus, we can use the fine-scale data to build more robust models for extremes that link extreme behavior to other climate patterns.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1991

Visualizing characteristics of ocean data collected during the Shuttle Imaging Radar-B experiment

Topographic measurements of sea surface elevation collected by the Surface Contour Radar (SCR) during NASA's Shuttle Imaging Radar (SIR-B) experiment are plotted as three dimensional surface plots to observe wave height variance along the track of a P-3 aircraft. Ocean wave spectra were computed from rotating altimeter measurements acquired by the Radar Ocean Wave Spectrometer (ROWS). Fourier power spectra computed from SIR-B synthetic aperture radar (SAR) images of the ocean are compared to ROWS surface wave spectra. Fourier inversion of SAR spectra, after subtraction of spectral noise and modeling of wave height modulation, yields topography similar to direct measurements made by SCR. Visual perspectives on the SCR and SAR ocean data are compared. Threshold distinctions between surface elevation and texture modulations of SAR data are considered within the context of a dynamic statistical model of rough surface scattering. The result of these endeavors is insight as to the physical mechanism governing the imaging of ocean waves with SAR.

Tilley, David G.↗
DOE OSTI2023

Accurate prediction of oxygen vacancy concentration with disordered A-site cations in high-entropy perovskite oxides

Abstract Entropic stabilized ABO 3 perovskite oxides promise many applications, including the two-step solar thermochemical hydrogen (STCH) production. Using binary and quaternary A-site mixed {A}FeO 3 as a model system, we reveal that as more cation types, especially above four, are mixed on the A-site, the cell lattice becomes more cubic-like but the local Fe–O octahedrons are more distorted. By comparing four different Density Functional Theory-informed statistical models with experiments, we show that the oxygen vacancy formation energies ( $${E}_{V}^{f}$$ E V f ) distribution and the vacancy interactions must be considered to predict the oxygen non-stoichiometry ( δ ) accurately. For STCH applications, the $${E}_{V}^{f}$$ E V f distribution, including both the average and the spread, can be optimized jointly to improve Δ δ (difference of δ between the two-step conditions) in some hydrogen production levels. This model can be used to predict the range of water splitting that can be thermodynamically improved by mixing cations in {A}FeO 3 perovskites.

08 HYDROGEN↗
DOE OSTI2022

Evaluation of obstacle modelling approaches for resource assessment and small wind turbine siting: case study in the northern Netherlands

Abstract. Growth in adoption of distributed wind turbines for energy generation is significantly impacted by challenges associated with siting and accurate estimation of the wind resource. Small turbines, at hub heights of 40 m or less, are greatly impacted by terrestrial obstacles such as built structures and vegetation that can cause complex wake effects. While some progress in high-fidelity complex fluid dynamics (CFD) models has increased the potential accuracy for modelling the impacts of obstacles on turbulent wind flow, these models are too computationally expensive for practical siting and resource assessment applications. To understand the efficacy of available models in situ, this study evaluates classic and commonly used methods alongside new state-of-the-art lower-order models derived from CFD simulations and machine learning approaches. This evaluation is conducted using a subset of an extensive original dataset of measurements from more than 300 operational wind turbines in the northern Netherlands. The results show that data-driven methods (e.g. machine learning and statistical modelling) are most effective at predicting production at real sites with an average error in annual energy production of 2.5 %. When sufficient data may not be available de novo to support these data-driven approaches, models derived from high-fidelity simulations show promise and reliably outperform classic methods. On average these models have 6.3 %–11.5 % error compared with 26 % for classic methods and 27 % baseline error for reanalysis data without obstacle correction. While more performant on average, these methods are also sensitive to the quality of obstacle descriptions and reanalysis inputs.

17 WIND ENERGY↗
NASA NTRS2012

Efficient Global Aerodynamic Modeling from Flight Data

A method for identifying global aerodynamic models from flight data in an efficient manner is explained and demonstrated. A novel experiment design technique was used to obtain dynamic flight data over a range of flight conditions with a single flight maneuver. Multivariate polynomials and polynomial splines were used with orthogonalization techniques and statistical modeling metrics to synthesize global nonlinear aerodynamic models directly and completely from flight data alone. Simulation data and flight data from a subscale twin-engine jet transport aircraft were used to demonstrate the techniques. Results showed that global multivariate nonlinear aerodynamic dependencies could be accurately identified using flight data from a single maneuver. Flight-derived global aerodynamic model structures, model parameter estimates, and associated uncertainties were provided for all six nondimensional force and moment coefficients for the test aircraft. These models were combined with a propulsion model identified from engine ground test data to produce a high-fidelity nonlinear flight simulation very efficiently. Prediction testing using a multi-axis maneuver showed that the identified global model accurately predicted aircraft responses.

Morelli, Eugene A.↗
NASA NTRS2011

User Selection Criteria of Airspace Designs in Flexible Airspace Management

A method for identifying global aerodynamic models from flight data in an efficient manner is explained and demonstrated. A novel experiment design technique was used to obtain dynamic flight data over a range of flight conditions with a single flight maneuver. Multivariate polynomials and polynomial splines were used with orthogonalization techniques and statistical modeling metrics to synthesize global nonlinear aerodynamic models directly and completely from flight data alone. Simulation data and flight data from a subscale twin-engine jet transport aircraft were used to demonstrate the techniques. Results showed that global multivariate nonlinear aerodynamic dependencies could be accurately identified using flight data from a single maneuver. Flight-derived global aerodynamic model structures, model parameter estimates, and associated uncertainties were provided for all six nondimensional force and moment coefficients for the test aircraft. These models were combined with a propulsion model identified from engine ground test data to produce a high-fidelity nonlinear flight simulation very efficiently. Prediction testing using a multi-axis maneuver showed that the identified global model accurately predicted aircraft responses.

Lee, Hwasoo E.↗
DOE OSTI2018

A point process model for generating biofilms with realistic microstructure and rheology

Biofilms are communities of bacteria that exhibit a multitude of multiscale biomechanical behaviours. Recent experimental advances have led to characterisations of these behaviours in terms of measurements of the viscoelastic moduli of biofilms grown in bioreactors and the fracture and fragmentation properties of biofilms. These properties are macroscale features of biofilms; however, a previous work by our group has shown that heterogeneous microscale features are critical in predicting biofilm rheology. In this paper, we use tools from statistical physics to develop a generative statistical model of the positions of bacteria in biofilms. Specifically, the model is a type of pairwise interaction model (PIM). We show through simulation that the macroscopic mechanical properties of biofilms depend on the choice of microscale spatial model. A key finding is that uniform and non-uniform sets of points lead to differing mechanical properties. This distinction appears not to have been previously considered in mathematical biofilm literature. We also found that realisations of a biologically informed PIM have realistic in silico mechanical properties, and have statistical properties that closely match experimental data. We also note that a Poisson spatial point process of suitable number density also yields realistic mechanical properties, but that the spatial distribution of points does not reflect those occurring in our experimentally observed biofilm.

Mathematics↗
NASA NTRS2000

Forecasting disease risk for increased epidemic preparedness in public health

Emerging infectious diseases pose a growing threat to human populations. Many of the world's epidemic diseases (particularly those transmitted by intermediate hosts) are known to be highly sensitive to long-term changes in climate and short-term fluctuations in the weather. The application of environmental data to the study of disease offers the capability to demonstrate vector-environment relationships and potentially forecast the risk of disease outbreaks or epidemics. Accurate disease forecasting models would markedly improve epidemic prevention and control capabilities. This chapter examines the potential for epidemic forecasting and discusses the issues associated with the development of global networks for surveillance and prediction. Existing global systems for epidemic preparedness focus on disease surveillance using either expert knowledge or statistical modelling of disease activity and thresholds to identify times and areas of risk. Predictive health information systems would use monitored environmental variables, linked to a disease system, to be observed and provide prior information of outbreaks. The components and varieties of forecasting systems are discussed with selected examples, along with issues relating to further development.

Disease Outbreaks↗
DOE OSTI2022

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↗
DOE OSTI2020

A Comparison of PV Resource Modeling for Sizing Microgrid Components

Microgrid systems are being deployed with increased frequency to meet critical building loads during unplanned power outages. Determining the appropriate type and size of components that make up a microgrid can greatly affect its ability to meet this need. This paper presents a new tool to appropriately size PV, battery, and generator capacities to meet all site loads, given a resilience goal. It uses a statistical model to simulate microgrid behavior under a large range of solar resource conditions, providing resilience planners with confidence that critical loads will be met even under extreme weather conditions. We compare this model with one that uses typical weather data for sizing microgrids, and quantify the resilience effects of using these different methods. Our method produces more conservative generator capacities and fuel requirements in an outage, predicting up to 30% more fuel required in the most extreme case. Microgrid systems that are designed using more conservative estimates are more likely to continue to serve load during emergency outages under a large range of conditions.

Newman, Sarah F.↗
NASA NTRS2004

Launch Vehicle Propulsion Parameter Design Multiple Selection Criteria

The optimization tool described herein addresses and emphasizes the use of computer tools to model a system and focuses on a concept development approach for a liquid hydrogen/liquid oxygen single-stage-to-orbit system, but more particularly the development of the optimized system using new techniques. This methodology uses new and innovative tools to run Monte Carlo simulations, genetic algorithm solvers, and statistical models in order to optimize a design concept. The concept launch vehicle and propulsion system were modeled and optimized to determine the best design for weight and cost by varying design and technology parameters. Uncertainty levels were applied using Monte Carlo Simulations and the model output was compared to the National Aeronautics and Space Administration Space Shuttle Main Engine. Several key conclusions are summarized here for the model results. First, the Gross Liftoff Weight and Dry Weight were 67% higher for the design case for minimization of Design, Development, Test and Evaluation cost when compared to the weights determined by the minimization of Gross Liftoff Weight case. In turn, the Design, Development, Test and Evaluation cost was 53% higher for optimized Gross Liftoff Weight case when compared to the cost determined by case for minimization of Design, Development, Test and Evaluation cost. Therefore, a 53% increase in Design, Development, Test and Evaluation cost results in a 67% reduction in Gross Liftoff Weight. Secondly, the tool outputs define the sensitivity of propulsion parameters, technology and cost factors and how these parameters differ when cost and weight are optimized separately. A key finding was that for a Space Shuttle Main Engine thrust level the oxidizer/fuel ratio of 6.6 resulted in the lowest Gross Liftoff Weight rather than at 5.2 for the maximum specific impulse, demonstrating the relationships between specific impulse, engine weight, tank volume and tank weight. Lastly, the optimum chamber pressure for Gross Liftoff Weight minimization was 2713 pounds per square inch as compared to 3162 for the Design, Development, Test and Evaluation cost optimization case. This chamber pressure range is close to 3000 pounds per square inch for the Space Shuttle Main Engine.

Shelton, Joey Dewayne↗
NASA NTRS2020

Impact of Convectively Detrained Ice Crystals on the Tropical Upper Troposphere and Lower Stratosphere

The role of convectively detrained ice crystals on the humidity of the tropical upper troposphere and lower stratosphere (UTLS) is investigated in simulations of cirrus clouds along trajectories launched from the 378K potential temperature level in the tropics. The one-dimensional (vertical) cloud model tracks individual ice crystals through their lifecycle beginning with detrainment from convection, followed by deposition growth, sedimentation and sublimation. Convective influence of the parcels is diagnosed by tracing the trajectories through time-dependent fields of convective cloud-top height adjusted to match the CloudSAT and CALIPSO statistics. Model simulations of UTLS water vapor and cloud fields are evaluated and constrained by comparison with Aura MLS and CALIPSO measurements. Preliminary results indicate sensitivity of the detrained ice crystal lifecycle to atmospheric conditions downstream of convection. Specifically, cooling (high relative humidity and supersaturation) downstream of convection leads to deposition growth and sedimentation of detrained ice crystals, resulting in net dehydration of the UTLS. In contrast, warming (low relative humidity and subsaturation) downstream of convection leads to sublimation of detrained ice crystals and subsequent hydration. As such, the impact of detrained ice crystals on the humidity of the UTLS exhibits distinct spatial variability. Detrained ice crystals predominantly dehydrate the UTLS in the tropical mean. Sensitivities to the convectively detrained ice crystal size and concentration are also examined using measurements from the StatoClim aircraft campaign. The importance of convectively detrained ice crystals will be discussed within the context of the overall contribution of convection to the lower stratospheric humidity.

Ueyama, Rei↗
DOE OSTI2025

Empirically-calibrated H100 node power models for accurate AI training energy estimation

Accurately quantifying the energy use of artificial intelligence (AI) training is critical for infrastructure planning, carbon accounting, and sustainable data center operation, but few studies have directly measured the power consumption of production workloads on contemporary hardware. By combining empirical measurements from Brookhaven National Laboratory during AI training on 8-graphics-processing-unit H100 systems with open-source benchmarking data, we develop statistical models relating computational intensity to node-level power consumption. We measure the gap between manufacturer-rated thermal design power (TDP) and actual power demand during AI training. Our analysis reveals that even computationally intensive workloads operate at only 76% of the 10.2 kW TDP rating. Our architecture-specific model, calibrated to floating-point operations, predicts energy consumption with 11.4% mean absolute percentage error, significantly outperforming TDP-based approaches (27%–37% error). We identified distinct power signatures between transformer and convolutional neural network architectures, with transformers showing characteristic fluctuations that may impact grid stability. These results provide a measurement-grounded basis for improving AI training energy estimates, enabling more reliable infrastructure sizing, cost projections, and environmental impact assessments.

Newkirk, Alex C↗
NASA NTRS2002

Comparing Satellite Rainfall Estimates with Rain-Gauge Data: Optimal Strategies Suggested by a Spectral Model

Validation of satellite remote-sensing methods for estimating rainfall against rain-gauge data is attractive because of the direct nature of the rain-gauge measurements. Comparisons of satellite estimates to rain-gauge data are difficult, however, because of the extreme variability of rain and the fact that satellites view large areas over a short time while rain gauges monitor small areas continuously. In this paper, a statistical model of rainfall variability developed for studies of sampling error in averages of satellite data is used to examine the impact of spatial and temporal averaging of satellite and gauge data on intercomparison results. The model parameters were derived from radar observations of rain, but the model appears to capture many of the characteristics of rain-gauge data as well. The model predicts that many months of data from areas containing a few gauges are required to validate satellite estimates over the areas, and that the areas should be of the order of several hundred km in diameter. Over gauge arrays of sufficiently high density, the optimal areas and averaging times are reduced. The possibility of using time-weighted averages of gauge data is explored.

Bell, Thomas L.↗
DOE OSTI2024

Optimal experimental design: Formulations and computations

Questions of ‘how best to acquire data’ are essential to modelling and prediction in the natural and social sciences, engineering applications, and beyond. Optimal experimental design (OED) formalizes these questions and creates computational methods to answer them. This article presents a systematic survey of modern OED, from its foundations in classical design theory to current research involving OED for complex models. We begin by reviewing criteria used to formulate an OED problem and thus to encode the goal of performing an experiment. We emphasize the flexibility of the Bayesian and decision-theoretic approach, which encompasses information-based criteria that are well-suited to nonlinear and non-Gaussian statistical models. We then discuss methods for estimating or bounding the values of these design criteria; this endeavour can be quite challenging due to strong nonlinearities, high parameter dimension, large per-sample costs, or settings where the model is implicit. A complementary set of computational issues involves optimization methods used to find a design; we discuss such methods in the discrete (combinatorial) setting of observation selection and in settings where an exact design can be continuously parametrized. Finally we present emerging methods for sequential OED that build non-myopic design policies, rather than explicit designs; these methods naturally adapt to the outcomes of past experiments in proposing new experiments, while seeking coordination among all experiments to be performed. Throughout, we highlight important open questions and challenges.

97 MATHEMATICS AND COMPUTING↗