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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Is AMOC More Predictable than North Atlantic Heat Content?

Predictability properties of the Atlantic meridional overturning circulation (AMOC) are measured and compared to those of the upper-500-m heat content in the North Atlantic based on control simulations from nine comprehensive coupled climate models. By estimating the rate at which perfect predictions from initially similar states diverge, the authors find the prediction range at which initialization loses its potential to have a positive impact on predictions. For the annual-mean AMOC, this range varies substantially from one model to another, but on average, it is about a decade. For eight of the models, this range is less than the corresponding range for heat content. For 5- and 10-yr averages, predictability is substantially greater than for annual means for both fields, but the enhancement is more for AMOC; indeed, for the averaged fields, AMOC is more predictable than heat content. Also, there are spatial patterns of AMOC that have especially high predictability. For the most predictable of these patterns, AMOC retains predictability for more than two decades in a typical model. These patterns are associated with heat content fluctuations that also have above-average predictability, which suggests that AMOC may have a positive influence on the predictability of heat content for these special structures.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Long-Term Vehicle Speed Prediction via Historical Traffic Data Analysis for Improved Energy Efficiency of Connected Electric Vehicles

Connected and automated vehicles (CAVs) are expected to provide enhanced safety, mobility, and energy efficiency. While abundant evidence has been accumulated showing substantial energy saving potentials of CAVs through eco-driving, traffic condition prediction has remained to be the main challenge in capitalizing the gains. The coupled power and thermal subsystems of CAVs necessitate the use of different speed preview windows for effective and integrated power and thermal management. Real-time vehicle-to-infrastructure (V2I) communications can provide an accurate speed prediction over a short prediction horizon (e.g., 30 s to 60 s), but not for a long range (e.g., over 180 s). Therefore, advanced approaches are required to develop detailed speed prediction for robust optimization-based energy management of CAVs. This paper presents an integrated speed prediction framework based on historical traffic data classification and real-time V2I communications for efficient energy management of electrified CAVs. The proposed framework provides multi-range speed predictions with different fidelity over short and long horizons. The proposed multi-range speed prediction is integrated with an economic model predictive control (MPC) strategy for the battery thermal management (BTM) of connected and automated electric vehicles (EVs). The simulation results over real-world urban driving cycles confirm the enhanced prediction performance of the proposed data classification strategy over a long prediction horizon. Despite the uncertainty in long-range CAVs’ speed predictions, the vehicle-level simulation results show that 14% and 19% energy savings can be accumulated sequentially through eco-driving and BTM optimization (eco-cooling), respectively, when compared with normal driving (i.e., human driver) and conventional BTM strategy.

Engineering↗
DOE OSTI2016

Predictive Big Data Analytics: A Study of Parkinson’s Disease Using Large, Complex, Heterogeneous, Incongruent, Multi-Source and Incomplete Observations

Background A unique archive of Big Data on Parkinson’s Disease is collected, managed and disseminated by the Parkinson’s Progression Markers Initiative (PPMI). The integration of such complex and heterogeneous Big Data from multiple sources offers unparalleled opportunities to study the early stages of prevalent neurodegenerative processes, track their progression and quickly identify the efficacies of alternative treatments. Many previous human and animal studies have examined the relationship of Parkinson’s disease (PD) risk to trauma, genetics, environment, co-morbidities, or life style. The defining characteristics of Big Data–large size, incongruency, incompleteness, complexity, multiplicity of scales, and heterogeneity of information-generating sources–all pose challenges to the classical techniques for data management, processing, visualization and interpretation. We propose, implement, test and validate complementary model-based and model-free approaches for PD classification and prediction. To explore PD risk using Big Data methodology, we jointly processed complex PPMI imaging, genetics, clinical and demographic data. Methods and Findings Collective representation of the multi-source data facilitates the aggregation and harmonization of complex data elements. This enables joint modeling of the complete data, leading to the development of Big Data analytics, predictive synthesis, and statistical validation. Using heterogeneous PPMI data, we developed a comprehensive protocol for end-to-end data characterization, manipulation, processing, cleaning, analysis and validation. Specifically, we (i) introduce methods for rebalancing imbalanced cohorts, (ii) utilize a wide spectrum of classification methods to generate consistent and powerful phenotypic predictions, and (iii) generate reproducible machine-learning based classification that enables the reporting of model parameters and diagnostic forecasting based on new data. We evaluated several complementary model-based predictive approaches, which failed to generate accurate and reliable diagnostic predictions. However, the results of several machine-learning based classification methods indicated significant power to predict Parkinson’s disease in the PPMI subjects (consistent accuracy, sensitivity, and specificity exceeding 96%, confirmed using statistical n-fold cross-validation). Clinical (e.g., Unified Parkinson's Disease Rating Scale (UPDRS) scores), demographic (e.g., age), genetics (e.g., rs34637584, chr12), and derived neuroimaging biomarker (e.g., cerebellum shape index) data all contributed to the predictive analytics and diagnostic forecasting. Conclusions Model-free Big Data machine learning-based classification methods (e.g., adaptive boosting, support vector machines) can outperform model-based techniques in terms of predictive precision and reliability (e.g., forecasting patient diagnosis). We observed that statistical rebalancing of cohort sizes yields better discrimination of group differences, specifically for predictive analytics based on heterogeneous and incomplete PPMI data. UPDRS scores play a critical role in predicting diagnosis, which is expected based on the clinical definition of Parkinson’s disease. Even without longitudinal UPDRS data, however, the accuracy of model-free machine learning based classification is over 80%. The methods, software and protocols developed here are openly shared and can be employed to study other neurodegenerative disorders (e.g., Alzheimer’s, Huntington’s, amyotrophic lateral sclerosis), as well as for other predictive Big Data analytics applications.

Science & Technology - Other Topics↗
DOE OSTI2014

Collaborative Research: Separating Forced and Unforced Decadal Predictability in Models and Observations

This report is a progress report of the accomplishments of the research grant “Collaborative Research: Separating Forced and Unforced Decadal Predictability in Models and Observations” during the period 1 May 2011- 31 August 2013. This project is a collaborative one between Columbia University and George Mason University. George Mason University will submit a final technical report at the conclusion of their no-cost extension. The purpose of the proposed research is to identify unforced predictable components on decadal time scales, distinguish these components from forced predictable components, and to assess the reliability of model predictions of these components. Components of unforced decadal predictability will be isolated by maximizing the Average Predictability Time (APT) in long, multimodel control runs from state-of-the-art climate models. Components with decadal predictability have large APT, so maximizing APT ensures that components with decadal predictability will be detected. Optimal fingerprinting techniques, as used in detection and attribution analysis, will be used to separate variations due to natural and anthropogenic forcing from those due to unforced decadal predictability. This methodology will be applied to the decadal hindcasts generated by the CMIP5 project to assess the reliability of model projections. The question of whether anthropogenic forcing changes decadal predictability, or gives rise to new forms of decadal predictability, also will be investigated.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Predicting near-term variability in ocean carbon uptake

Abstract. Interannual variations in air–sea fluxes of carbon dioxide ( CO 2 ) impact the global carbon cycle and climate system, and previous studies suggest that these variations may be predictable in the near term (from a year to a decade in advance). Here, we quantify and understand the sources of near-term predictability and predictive skill in air–sea CO 2 flux on global and regional scales by analyzing output from a novel set of retrospective decadal forecasts of an Earth system model. These forecasts exhibit the potential to predict year-to-year variations in the globally integrated air–sea CO 2 flux several years in advance, as indicated by the high correlation of the forecasts with a model reconstruction of past CO 2 flux evolution. This potential predictability exceeds that obtained solely from foreknowledge of variations in external forcing or a simple persistence forecast, with the longest-lasting forecast enhancement in the subantarctic Southern Ocean and the northern North Atlantic. Potential predictability in CO 2 flux variations is largely driven by predictability in the surface ocean partial pressure of CO 2 , which itself is a function of predictability in surface ocean dissolved inorganic carbon and alkalinity. The potential predictability, however, is not realized as predictive skill, as indicated by the moderate to low correlation of the forecasts with an observationally based CO 2 flux product. Nevertheless, our results suggest that year-to-year variations in ocean carbon uptake have the potential to be predicted well in advance and establish a precedent for forecasting air–sea CO 2 flux in the near future.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Impact of volcanic eruptions on CMIP6 decadal predictions: a multi-model analysis

Abstract. In recent decades, three major volcanic eruptions of different intensity have occurred (Mount Agung in 1963, El Chichón in 1982 and Mount Pinatubo in 1991), with reported climate impacts on seasonal to decadal timescales that could have been potentially predicted with accurate and timely estimates of the associated stratospheric aerosol loads. The Decadal Climate Prediction Project component C (DCPP-C) includes a protocol to investigate the impact of volcanic aerosols on the climate experienced during the years that followed those eruptions through the use of decadal predictions. The interest of conducting this exercise with climate predictions is that, thanks to the initialisation, they start from the observed climate conditions at the time of the eruptions, which helps to disentangle the climatic changes due to the initial conditions and internal variability from the volcanic forcing. The protocol consists of repeating the retrospective predictions that are initialised just before the last three major volcanic eruptions but without the inclusion of their volcanic forcing, which are then compared with the baseline predictions to disentangle the simulated volcanic effects upon climate. We present the results from six Coupled Model Intercomparison Project Phase 6 (CMIP6) decadal prediction systems. These systems show strong agreement in predicting the well-known post-volcanic radiative effects following the three eruptions, which induce a long-lasting cooling in the ocean. Furthermore, the multi-model multi-eruption composite is consistent with previous work reporting an acceleration of the Northern Hemisphere polar vortex and the development of El Niño conditions the first year after the eruption, followed by a strengthening of the Atlantic Meridional Overturning Circulation the subsequent years. Our analysis reveals that all these dynamical responses are both model- and eruption-dependent. A novel aspect of this study is that we also assess whether the volcanic forcing improves the realism of the predictions. Comparing the predicted surface temperature anomalies in the two sets of hindcasts (with and without volcanic forcing) with observations we show that, overall, including the volcanic forcing results in better predictions. The volcanic forcing is found to be particularly relevant for reproducing the observed sea surface temperature (SST) variability in the North Atlantic Ocean following the 1991 eruption of Pinatubo.

Bilbao, Roberto (ORCID:0000000307294980)↗
NASA NTRS1992

Artificial neural network implementation of a near-ideal error prediction controller

A theory has been developed at the University of Virginia which explains the effects of including an ideal predictor in the forward loop of a linear error-sampled system. It has been shown that the presence of this ideal predictor tends to stabilize the class of systems considered. A prediction controller is merely a system which anticipates a signal or part of a signal before it actually occurs. It is understood that an exact prediction controller is physically unrealizable. However, in systems where the input tends to be repetitive or limited, (i.e., not random) near ideal prediction is possible. In order for the controller to act as a stability compensator, the predictor must be designed in a way that allows it to learn the expected error response of the system. In this way, an unstable system will become stable by including the predicted error in the system transfer function. Previous and current prediction controller include pattern recognition developments and fast-time simulation which are applicable to the analysis of linear sampled data type systems. The use of pattern recognition techniques, along with a template matching scheme, has been proposed as one realizable type of near-ideal prediction. Since many, if not most, systems are repeatedly subjected to similar inputs, it was proposed that an adaptive mechanism be used to 'learn' the correct predicted error response. Once the system has learned the response of all the expected inputs, it is necessary only to recognize the type of input with a template matching mechanism and then to use the correct predicted error to drive the system. Suggested here is an alternate approach to the realization of a near-ideal error prediction controller, one designed using Neural Networks. Neural Networks are good at recognizing patterns such as system responses, and the back-propagation architecture makes use of a template matching scheme. In using this type of error prediction, it is assumed that the system error responses be known for a particular input and modeled plant. These responses are used in the error prediction controller. An analysis was done on the general dynamic behavior that results from including a digital error predictor in a control loop and these were compared to those including the near-ideal Neural Network error predictor. This analysis was done for a second and third order system.

Mcvey, Eugene S.↗
NASA NTRS1998

Prediction of Transitional Flows in the Low Pressure Turbine

Current turbulence models tend to give too early and too short a length of flow transition to turbulence, and hence fail to predict flow separation induced by the adverse pressure gradients and streamline flow curvatures. Our discussion will focus on the development and validation of transition models. The baseline data for model comparisons are the T3 series, which include a range of free-stream turbulence intensity and cover zero-pressure gradient to aft-loaded turbine pressure gradient flows. The method will be based on the conditioned N-S equations and a transport equation for the intermittency factor. First, several of the most popular 2-equation models in predicting flow transition are examined: k-e [Launder-Sharina], k-w [Wilcox], Lien-Leschiziner and SST [Menter] models. All models fail to predict the onset and the length of transition, even for the simplest flat plate with zero-pressure gradient(T3A). Although the predicted onset position of transition can be varied by providing different inlet turbulent energy dissipation rates, the appropriate inlet conditions for turbulence quantities should be adjusted to match the decay of the free-stream turbulence. Arguably, one may adjust the low-Reynolds-number part of the model to predict transition. This approach has so far not been very successful. However, we have found that the low-Reynolds-number model of Launder and Sharma [1974], which is an improved version of Jones and Launder [1972] gave the best overall performance. The Launder and Sharma model was designed to capture flow re-laminarization (a reverse of flow transition), but tends to give rise to a too early and too fast transition in comparison with the physical transition. The three test cases were for flows with zero pressure gradient but with different free-stream turbulent intensities. The same can be said about the model when considering flows subject to pressure gradient(T3C1). To capture the effects of transition using existing turbulence models, one approach is to make use of the concept of the intermittency to predict the flow transition. It was originally based on the intermittency distribution of Narasimha [1957], and then gradually evolved into a transport equation for the intermittency factor. Gostelow and associates [1994,1995] have made some improvements to Narasimha's method in an attempt to account for both favorable and adverse pressure gradients. Their approach is based on a linear, explicit combination of laminar and turbulent solutions. This approach fails to predict the overshoot of the skin friction on a flat plate near the end of transition zone, even though the length of transition is well predicted. The major flaw of Gostelow's approach is that it assumes the non-turbulent part being the laminar solution and the turbulent part being the turbulent solution and they do not interact across the transitional region. The technique in condition averaging the flow equations in intermittent flows was first introduced by Libby [1975] and Dopazo [1977] and further refined by Dick and associates [1988, 1996]. This approach employs two sets of transport equations for the non-turbulent part and the other for the turbulent part. The advantage of this approach is that it allows the interaction of non-turbulent and turbulent velocities through the introduction of additional source terms in the continuity and momentum equations for the non-turbulent and turbulent velocities. However, the strong coupling of the two sets of equations has caused some numerical difficulties, which requires special attention. The prediction of the skin friction can be improved by this approach via the implicit coupling of non-turbulent and turbulent velocity flelds. Another improvement of the interrmittency model can be further made by allowing the intermittency to vary in the cross-stream direction. This is one step prior to testing any proposal for the transport equation for the intermittency factor. Instead of solving the transport equation for the intermittency factor, the distribution for the intermittency factor is prescribed by Klebanoff's empirical formula [1955]. The skin friction is very well predicted by this new modification, including the overshoot of the profile near the end of the transition zone. The outcome of this study is very encouraging since it indicates that the proper description of the intermittency distribution is the key to the success of the model prediction. This study will be used to guide us on the modelling of the intermittency transport equation.

Huang, George↗
NASA NTRS2008

All Recent Mars Landers Have Landed Downrange - Are Mars Atmosphere Models Mis-Predicting Density?

All recent Mars landers (Mars Pathfinder, the two Mars Exploration Rovers Spirit and Opportunity, and the Mars Phoenix Lander) have landed further downrange than their pre-entry predictions. Mars Pathfinder landed 27 km downrange of its prediction [1], Spirit and Opportunity landed 13.4 km and 14.9 km, respectively, downrange from their predictions [2], and Phoenix landed 21 km downrange from its prediction [3]. Reconstruction of their entries revealed a lower density profile than the best a priori atmospheric model predictions. Do these results suggest that there is a systemic issue in present Mars atmosphere models that predict a higher density than observed on landing day? Spirit Landing: The landing location for Spirit was 13.4 km downrange of the prediction as shown in Fig. 1. The navigation errors upon Mars arrival were very small [2]. As such, the entry interface conditions were not responsible for this downrange landing. Consequently, experiencing a lower density during the entry was the underlying cause. The reconstructed density profile that Spirit experienced is shown in Fig. 2, which is plotted as a fraction of the pre-entry baseline prediction that was used for all the entry, descent, and landing (EDL) design analyses. The reconstructed density is observed to be less dense throughout the descent reaching a maximum reduction of 15% at 21 km. This lower density corresponded to approximately a 1- low profile relative to the dispersions predicted. Nearly all the deceleration during the entry occurs within 10- 50 km. As such, prediction of density within this altitude band is most critical for entry flight dynamics analyses and design (e.g., aerodynamic and aerothermodynamic predictions, landing location, etc.).

Desai, Prasun N.↗
NASA NTRS2016

Predictions of Solar Cycle 24: How are We Doing?

Predictions of solar activity are an essential part of our Space Weather forecast capability. Users are requiring usable predictions of an upcoming solar cycle to be delivered several years before solar minimum. A set of predictions of the amplitude of Solar Cycle 24 accumulated in 2008 ranged from zero to unprecedented levels of solar activity. The predictions formed an almost normal distribution, centered on the average amplitude of all preceding solar cycles. The average of the current compilation of 105 predictions of the annual-average sunspot number is 106 +/- 31, slightly lower than earlier compilations but still with a wide distribution. Solar Cycle 24 is on track to have a below-average amplitude, peaking at an annual sunspot number of about 80. Our need for solar activity predictions and our desire for those predictions to be made ever earlier in the preceding solar cycle will be discussed. Solar Cycle 24 has been a below-average sunspot cycle. There were peaks in the daily and monthly averaged sunspot number in the Northern Hemisphere in 2011 and in the Southern Hemisphere in 2014. With the rapid increase in solar data and capability of numerical models of the solar convection zone we are developing the ability to forecast the level of the next sunspot cycle. But predictions based only on the statistics of the sunspot number are not adequate for predicting the next solar maximum. I will describe how we did in predicting the amplitude of Solar Cycle 24 and describe how solar polar field predictions could be made more accurate in the future.

Pesnell, William D.↗
NASA NTRS2021

Navigation Prediction Performance During OSIRIS-REx Proximity Operations at (101955) Bennu

The OSIRIS-REx (Origins, Spectral Interpretation, Resource Identification and Security–Regolith Explorer) Orbit Determination team performed covariance analyses prior to the commencement of proximity operations (ProxOps) at (101955) Bennu to determine the expected predicted trajectory performance in order to meet trajectory knowledge requirements throughout each phase of the mission. One of the primary requirements placed on the predicted trajectory performance was based on the performance during orbital phases leading up to the maneuver to initiate the Touch-and-Go (TAG) trajectory descent. Throughout ProxOps the nominal force models being used to predict the spacecraft trajectory were updated in an effort to improve the prediction performance. The most significant models that contributed to prediction performance were of solar radiation pressure, thermal reradiation of the spacecraft, predicted attitude errors, and desaturation maneuvers. Efforts were made throughout all of ProxOps to monitor, trend, predict, and update spacecraft modeling to improve the prediction performance. These efforts were vital to reduce the spacecraft knowledge errors necessary to achieve a TAG target smaller than pre-launch analysis allowed due to the rough terrain of Bennu. Increased precision in predicted trajectory errors allowed for refined uncertainties to be used for future phase planning throughout the mission. The navigation team successfully predicted the spacecraft trajectory throughout all of ProxOps achieving predicted trajectories errors less than originally analyzed.

Jason M. Leonard↗
DOE OSTI2015

Prediction Models for Dynamic Demand Response

As Smart Grids move closer to dynamic curtailment programs, Demand Response (DR) events will become necessary not only on fixed time intervals and weekdays predetermined by static policies, but also during changing decision periods and weekends to react to real-time demand signals. Unique challenges arise in this context vis-a-vis demand prediction and curtailment estimation and the transformation of such tasks into an automated, efficient dynamic demand response (D 2 R) process. While existing work has concentrated on increasing the accuracy of prediction models for DR, there is a lack of studies for prediction models for D 2 R, which we address in this paper. Our first contribution is the formal definition of D 2 R, and the description of its challenges and requirements. Our second contribution is a feasibility analysis of very-short-term prediction of electricity consumption for D 2 R over a diverse, large-scale dataset that includes both small residential customers and large buildings. Our third, and major contribution is a set of insights into the predictability of electricity consumption in the context of D 2 R. Specifically, we focus on prediction models that can operate at a very small data granularity (here 15-min intervals), for both weekdays and weekends - all conditions that characterize scenarios for D 2 R. We find that short-term time series and simple averaging models used by Independent Service Operators and utilities achieve superior prediction accuracy. We also observe that workdays are more predictable than weekends and holiday. Also, smaller customers have large variation in consumption and are less predictable than larger buildings. Key implications of our findings are that better models are required for small customers and for non-workdays, both of which are critical for D 2 R. Also, prediction models require just few days’ worth of data indicating that small amounts of historical training data can be used to make reliable predictions, simplifying the complexity of big data challenge associated with D 2 R.

Aman, Saima↗
DOE OSTI2022

Controlling prediction functional blocks used by a branch predictor in a processor

An electronic device includes a processor, a branch predictor in the processor, and a predictor controller in the processor. The branch predictor includes multiple prediction functional blocks, each prediction functional block configured for generating predictions for control transfer instructions (CTIs) in program code based on respective prediction information, the branch predictor configured to select, from among predictions generated by the prediction functional blocks for each CTI, a selected prediction to be used for that CTI. The predictor controller keeps a record of prediction functional blocks from which the branch predictor previously selected predictions for CTIs. The predictor controller uses information from the record for controlling which prediction functional blocks are used by the branch predictor for generating predictions for CTIs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Unveiling the Potential of MeshGraphNets for Predicting Subsurface Evolution in Carbon Storage Projects

This is the conference paper accompanying an oral presentation “Unveiling the Potential of MeshGraphNets for Predicting Subsurface Evolution in Carbon Storage Projects” at the 17th International Conference on Greenhouse Gas Control Technologies GHGT-17 held in Calgary, Canada, October 20-24 , 2024. Carbon capture and storage (CCS) technology is critical for mitigating climate change but requires effective subsurface reservoir management to ensure safe containment of injected CO2. Accurate predictions of reservoir pressure and saturation are essential for assessing long-term CCS performance. Traditional numerical simulations, while effective, are computationally intensive, time-consuming, and constrained by data discretization. Previous work has shown the effectiveness of MeshGraphNets (MGN), a graph-based machine learning framework, as an innovative alternative for predicting reservoir behavior. MGN leverages graph neural networks (GNNs) and mesh representations to model complex geological formations, offering superior adaptability across different discretizations and reservoir configurations. Classic MGN implementations utilize an autoregressive technique to predict future behavior based on current predictions, but this technique is hampered by error accumulation over time. To enhance the model accuracy in time-series predictions, this study implemented a multi-step rollout strategy that integrates autoregressive predictions during training to stabilize prediction of saturation over time. Using the Illinois Basin – Decatur Project (IBDP) dataset, comprising 100 simulations of CO2 injection, pressure, and saturation changes, the framework demonstrated its ability to learn spatial dependencies and temporal dynamics. With inputs including permeabilities, porosities, and injection rates, MGN accurately predicted CO2 plume evolution over time, even with limited training data. Moreover, the addition of a multi-step rollout procedure during training improved the ability of MGN to predict stably over time by ~15%. This research positions MGN, enhanced with multi-step rollout capabilities, as a robust and efficient tool for CCS applications. It advances the field by enabling precise, computationally efficient predictions of reservoir behavior, providing a foundation for the broader adoption of machine learning frameworks in CCS and other geoscience domains.

Holcomb, Paul↗
DOE OSTI2017

Deterministic skill of ENSO predictions from the North American Multimodel Ensemble

Hindcasts and real-time predictions of the east-central tropical Pacific sea surface temperature (SST) from the North American Multimodel Ensemble (NMME) system are verified for 1982–2015. Skill is examined using two deterministic verification measures: mean squared error skill score (MSESS) and anomaly correlation. Verification of eight individual models shows somewhat differing skills among them, with some models consistently producing more successful predictions than others. The skill levels of MME predictions are approximately the same as the two best performing individual models, and sometimes exceed both of them. A decomposition of the MSESS indicates the presence of calibration errors in some of the models. In particular, the amplitudes of some model predictions are too high when predictability is limited by the northern spring ENSO predictability barrier and/or when the interannual variability of the SST is near its seasonal minimum. The skill of the NMME system is compared to that of the MME from the IRI/CPC ENSO prediction plume, both for a comparable hindcast period and also for a set of real-time predictions spanning 2002–2011. Comparisons are made both between the MME predictions of each model group, and between the average of the skills of the respective individual models in each group. Acknowledging a hindcast versus real-time inconsistency in the 2002–2012 skill comparison, the skill of the NMME is slightly higher than that of the prediction plume models in all cases. This result reflects well on the NMME system, with its large total ensemble size and opportunity for possible complementary contributions to skill.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Data fusion in predicting internal heat gains for office buildings through a deep learning approach

Heating, Ventilation, and Air Conditioning (HVAC) is a major energy consumer in buildings. The predictive control has demonstrated a potential to reduce HVAC energy use. To facilitate predictive HVAC control, internal heat gains prediction is required. Here, we applied Long Short-Term Memory Networks, a special form of deep neural network, to predict miscellaneous electric loads, lighting loads, occupant counts and internal heat gains in two United States office buildings. Compared with the predetermined schedules used in American Society of Heating, Refrigerating and Air-Conditioning Engineers (ASHRAE) standard 90.1, the Long Short-Term Memory Networks method could reduce the prediction errors of internal heat gains from 12% to 8% in Building A, and from 26% to 16% in Building B. It was also found that for internal heat gains prediction, miscellaneous electric loads is a more important feature than occupant counts for two reasons. First, miscellaneous electric loads is the best proxy variable for internal heat gains, as it is the major component of and has the highest correlation coefficient with the internal heat gains. Second, miscellaneous electric loads contain valuable information to predict occupant count, while occupant count could not help improve miscellaneous electric loads prediction. Lastly, these findings could help researchers and practitioners select the most relevant features to more accurately predict internal heat gains for the implementation of predictive HVAC control in buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

AlphaFold predictions are valuable hypotheses and accelerate but do not replace experimental structure determination

Abstract Artificial intelligence-based protein structure prediction methods such as AlphaFold have revolutionized structural biology. The accuracies of these predictions vary, however, and they do not take into account ligands, covalent modifications or other environmental factors. Here, we evaluate how well AlphaFold predictions can be expected to describe the structure of a protein by comparing predictions directly with experimental crystallographic maps. In many cases, AlphaFold predictions matched experimental maps remarkably closely. In other cases, even very high-confidence predictions differed from experimental maps on a global scale through distortion and domain orientation, and on a local scale in backbone and side-chain conformation. We suggest considering AlphaFold predictions as exceptionally useful hypotheses. We further suggest that it is important to consider the confidence in prediction when interpreting AlphaFold predictions and to carry out experimental structure determination to verify structural details, particularly those that involve interactions not included in the prediction.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Investigating genomic prediction strategies for grain carotenoid traits in a tropical/subtropical maize panel

Abstract Vitamin A deficiency remains prevalent on a global scale, including in regions where maize constitutes a high percentage of human diets. One solution for alleviating this deficiency has been to increase grain concentrations of provitamin A carotenoids in maize (Zea mays ssp. mays L.)—an example of biofortification. The International Maize and Wheat Improvement Center (CIMMYT) developed a Carotenoid Association Mapping panel of 380 inbred lines adapted to tropical and subtropical environments that have varying grain concentrations of provitamin A and other health-beneficial carotenoids. Several major genes have been identified for these traits, 2 of which have particularly been leveraged in marker-assisted selection. This project assesses the predictive ability of several genomic prediction strategies for maize grain carotenoid traits within and between 4 environments in Mexico. Ridge Regression-Best Linear Unbiased Prediction, Elastic Net, and Reproducing Kernel Hilbert Spaces had high predictive abilities for all tested traits (β-carotene, β-cryptoxanthin, provitamin A, lutein, and zeaxanthin) and outperformed Least Absolute Shrinkage and Selection Operator. Furthermore, predictive abilities were higher when using genome-wide markers rather than only the markers proximal to 2 or 13 genes. These findings suggest that genomic prediction models using genome-wide markers (and assuming equal variance of marker effects) are worthwhile for these traits even though key genes have already been identified, especially if breeding for additional grain carotenoid traits alongside β-carotene. Predictive ability was maintained for all traits except lutein in between-environment prediction. The TASSEL (Trait Analysis by aSSociation, Evolution, and Linkage) Genomic Selection plugin performed as well as other more computationally intensive methods for within-environment prediction. The findings observed herein indicate the utility of genomic prediction methods for these traits and could inform their resource-efficient implementation in biofortification breeding programs.

59 BASIC BIOLOGICAL SCIENCES↗