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All sourcesNASA NTRSDOE OSTI
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 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 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↗
DOE OSTI2022

A Multi-Scale Computational Platform for Predictive Modeling of Corrosion in Al-Steel Joints (Final Report)

The research team proposed to develop innovative multi-scale models to predict corrosion and the resulting mechanical performances in aluminum-steel joints. The methods of joining considered are resistance spot welding, self-piercing riveting, and rivet-welding, all suitable for mass production applications. The multi-scale models integrate high throughput first-principle calculations based on density functional theory (DFT), high throughput calculation of phase diagrams (CALPHAD) modeling, and finite element method (FEM) simulations. These models are to be validated through laboratory experiments. Furthermore, the models are available as open source so as to enable scientists and engineers in the community to adapt and contribute to the development and application. The approaches rely on the research team’s extensive experience on the prediction of properties of individual phases at finite temperatures and variable compositions through DFT calculations, and our broad expertise on dissimilar material joining and their corrosion. The proposed computational framework enables high throughput computations for improved predictions of corrosion and the associated mechanical performance in dissimilar material joints, resulting in significant reduction in computational time needed by the current state-of-the-art methods. With the participation of researchers from three universities, an auto manufacturer, two manufacturing technology/equipment suppliers, and a software developer/vendor, the interdisciplinary research team applies the technical development on both phase-based modeling and laboratory experiments into the automobile body joining processes for validation and technology demonstration. The global cost of corrosion was estimated at about 3.4% of the global GDP in 2013. By using available corrosion control practices, it is estimated a saving between 15-35% of the cost of corrosion. In the U.S., more than $276 billion is spent repairing corrosion damage. Prediction of the corrosion and its impact on performance of the dissimilar material joints is critical for reducing the massive number of the current corrosion-based recalls for automobiles. Thus, the project goal is to develop models to enable predictive maintenance and end-of-life planning of multi-metal joints with risk of corrosion under different conditions such as exposure to high temperatures in summer and salt solutions in winter, quantified through its pH. An academia-industry consortium led by the University of Michigan and including Pennsylvania State University, University of Illinois Urbana-Champaign, University of Georgia, General Motors Company, Livermore Software Technology Corporation, and Optimal Process Technologies, LLC. created multi-scale models for prediction of corrosion in aluminum-steel joint structures such of them used in vehicle subassemblies – chassis and transmission systems. Starting from the first principle calculations, the team developed mathematical and data-driven models to predict the metallic components, which are formed during joining of two metals, for example aluminum and steel - a lightweight multilateral system which is currently used in more than 60% car bodies. These models were used for simulating chemical reactions that are happening when the joining metallic components are exposed to high temperatures and different pH values. The team was able to predict how the corrosion installs on the metallic components and how they lead to a sudden failure of components in cars. Newly developed machine learning algorithms combining Science, Technology, Engineering and Math disciplines, advanced finite element simulation and experimental validations have been integrated in a platform for prediction of the corrosion evolution and prediction the failure of joints under mechanical loadings and fatigue. Moreover, based on machine learning and inverse analysis, the team proposed solutions for designing new metallic alloys less susceptible to corrosion when joining multi-material assembles. An average of 4% error compared with experiments was achieved for the most common joints that are used in vehicle subassemblies.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Predicting Intensive Care Unit Length of Stay and Mortality Using Patient Vital Signs: Machine Learning Model Development and Validation

Background: Patient monitoring is vital in all stages of care. In particular, intensive care unit (ICU) patient monitoring has the potential to reduce complications and morbidity, and to increase the quality of care by enabling hospitals to deliver higher-quality, cost-effective patient care, and improve the quality of medical services in the ICU. Objective: We here report the development and validation of ICU length of stay and mortality prediction models. The models will be used in an intelligent ICU patient monitoring module of an Intelligent Remote Patient Monitoring (IRPM) framework that monitors the health status of patients, and generates timely alerts, maneuver guidance, or reports when adverse medical conditions are predicted. Methods: We utilized the publicly available Medical Information Mart for Intensive Care (MIMIC) database to extract ICU stay data for adult patients to build two prediction models: one for mortality prediction and another for ICU length of stay. For the mortality model, we applied six commonly used machine learning (ML) binary classification algorithms for predicting the discharge status (survived or not). For the length of stay model, we applied the same six ML algorithms for binary classification using the median patient population ICU stay of 2.64 days. For the regression-based classification, we used two ML algorithms for predicting the number of days. We built two variations of each prediction model: one using 12 baseline demographic and vital sign features, and the other based on our proposed quantiles approach, in which we use 21 extra features engineered from the baseline vital sign features, including their modified means, standard deviations, and quantile percentages. Results: We could perform predictive modeling with minimal features while maintaining reasonable performance using the quantiles approach. The best accuracy achieved in the mortality model was approximately 89% using the random forest algorithm. The highest accuracy achieved in the length of stay model, based on the population median ICU stay (2.64 days), was approximately 65% using the random forest algorithm. Conclusions: The novelty in our approach is that we built models to predict ICU length of stay and mortality with reasonable accuracy based on a combination of ML and the quantiles approach that utilizes only vital signs available from the patient’s profile without the need to use any external features. This approach is based on feature engineering of the vital signs by including their modified means, standard deviations, and quantile percentages of the original features, which provided a richer dataset to achieve better predictive power in our models.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Uncertainty quantification of machine learning models to improve streamflow prediction under changing climate and environmental conditions

Machine learning (ML) models, and Long Short-Term Memory (LSTM) networks in particular, have demonstrated remarkable performance in streamflow prediction and are increasingly being used by the hydrological research community. However, most of these applications do not include uncertainty quantification (UQ). ML models are data driven and can suffer from large extrapolation errors when applied to changing climate/environmental conditions. UQ is required to quantify the influence of data noises on model predictions and avoid overconfident projections in extrapolation. In this work, we integrate a novel UQ method, called PI3NN, with LSTM networks for streamflow prediction. PI3NN calculates Prediction Intervals by training 3 Neural Networks. It can precisely quantify the predictive uncertainty caused by the data noise and identify out-of-distribution (OOD) data in a non-stationary condition to avoid overconfident predictions. We apply the PI3NN-LSTM method in the snow-dominant East River Watershed in the western US and in the rain-driven Walker Branch Watershed in the southeastern US. Results indicate that for the prediction data which have similar features as the training data, PI3NN precisely quantifies the predictive uncertainty with the desired confidence level; and for the OOD data where the LSTM network fails to make accurate predictions, PI3NN produces a reasonably large uncertainty indicating that the results are not trustworthy and should avoid overconfidence. PI3NN is computationally efficient, robust in performance, and generalizable to various network structures and data with no distributional assumptions. It can be broadly applied in ML-based hydrological simulations for credible prediction.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Stream Temperature Predictions for River Basin Management in the Pacific Northwest and Mid-Atlantic Regions Using Machine Learning

Stream temperature (Ts) is an important water quality parameter that affects ecosystem health and human water use for beneficial purposes. Accurate Ts predictions at different spatial and temporal scales can inform water management decisions that account for the effects of changing climate and extreme events. In particular, widespread predictions of Ts in unmonitored stream reaches can enable decision makers to be responsive to changes caused by unforeseen disturbances. In this study, we demonstrate the use of classical machine learning (ML) models, support vector regression and gradient boosted trees (XGBoost), for monthly Ts predictions in 78 pristine and human-impacted catchments of the Mid-Atlantic and Pacific Northwest hydrologic regions spanning different geologies, climate, and land use. The ML models were trained using long-term monitoring data from 1980–2020 for three scenarios: (1) temporal predictions at a single site, (2) temporal predictions for multiple sites within a region, and (3) spatiotemporal predictions in unmonitored basins (PUB). In the first two scenarios, the ML models predicted Ts with median root mean squared errors (RMSE) of 0.69–0.84 °C and 0.92–1.02 °C across different model types for the temporal predictions at single and multiple sites respectively. For the PUB scenario, we used a bootstrap aggregation approach using models trained with different subsets of data, for which an ensemble XGBoost implementation outperformed all other modeling configurations (median RMSE 0.62 °C).The ML models improved median monthly Ts estimates compared to baseline statistical multi-linear regression models by 15–48% depending on the site and scenario. Air temperature was found to be the primary driver of monthly Ts for all sites, with secondary influence of month of the year (seasonality) and solar radiation, while discharge was a significant predictor at only 10 sites. The predictive performance of the ML models was robust to configuration changes in model setup and inputs, but was influenced by the distance to the nearest dam with RMSE <1 °C at sites situated greater than 16 and 44 km from a dam for the temporal single site and regional scenarios, and over 1.4 km from a dam for the PUB scenario. Our results show that classical ML models with solely meteorological inputs can be used for spatial and temporal predictions of monthly Ts in pristine and managed basins with reasonable (<1 °C) accuracy for most locations.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2017

Tidal Prediction

Tides are the most predictable of oceanographic phenomena, due both to the simplicity and predictability of the astronomical forcing and to the near linearity of the ocean's dynamical response. In the classical and simplest scenario, tidal prediction is based on harmonic analysis of past measurements at a fixed location. Limits to predictability arise because isolated astronomical spectral lines are broadened into "cusps" of incoherent energy, for example through interactions with non-tidal flows. Tidal prediction at locations without past measurements has historically been a major challenge, but, owing to near-global observations of modern satellite altimeters, the empirical harmonic approach now yields reasonably accurate predictions throughout most of the open ocean. Advances in numerical modeling and data assimilation allow these predictions to be refined (especially in shallow seas where observations remain insufficient to directly constrain tidal wave structure) and extended to include tidal currents. We review recent progress in the development of global and regional-scale tidal prediction capabilities, summarize accuracy of available charts, and briefly consider outstanding issues. Satellite altimetry has also helped unravel the global tidal energy budget and has clarified the role of internal tides as a sink of tidal energy. We summarize these results, and then turn to the challenging problem of predicting internal tides. To the extent that low modes remain coherent with the surface tide, elevations can be directly mapped. We review current efforts in this direction, which are already producing charts with predictive capability. However, internal tides (especially higher modes) interact much more strongly with lower-frequency ocean flows, so a significant fraction of this tidal signal is intermittent and incoherent. We close with a brief review of ongoing efforts to model global tides in combination with wind-forced ocean motions.

Harmonic Constants↗
DOE OSTI2024

Predicting responses to climate change using a joint species, spatially dependent physiologically guided abundance model

Abstract Predicting the effects of warming temperatures on the abundance and distribution of organisms under future climate scenarios often requires extrapolating species–environment correlations to climatic conditions not currently experienced by a species, which can result in unrealistic predictions. For poikilotherms, incorporating species' thermal physiology to inform extrapolations under novel thermal conditions can result in more realistic predictions. Furthermore, models that incorporate species and spatial dependencies may improve predictions by capturing correlations present in ecological data that are not accounted for by predictor variables. Here, we present a joint species, spatially dependent physiologically guided abundance (jsPGA) model for predicting multispecies responses to climate warming. The jsPGA model uses a basis function approach to capture both species and spatial dependencies. We apply the jsPGA model to predict the response of eight fish species to projected climate warming in thousands of lakes in Minnesota, USA. By the end of the century, the cold‐adapted species was predicted to have high probabilities of extirpation across its current range—with 10% of lakes currently inhabited by this species having an extirpation probability >0.90. The remaining species had varying levels of predicted changes in abundance, reflecting differences in their thermal physiology. Though the model did not identify many strong species dependencies, the variation in estimated spatial dependence across species suggested that accounting for both dependencies was important for predicting the abundance of these fishes. The jsPGA model provides a new tool for predicting changes in the abundance, distribution, and extirpation probability of poikilotherms under novel thermal conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Imitating the “breeder's eye”: Predicting grain yield from measurements of non‐yield traits

Abstract Plant breeding relies on information gathered from field trials to select promising new crop varieties for release to farmers and to develop genomic prediction models that can enhance the efficiency of genetic improvement in future breeding cycles. However, generating the genetic marker data required to apply genomic prediction at the early stages of a breeding program remains costly for many public‐sector breeding programs as well as for many plant breeders operating in developing countries. As the pace of climate change intensifies, the time lag of developing and deploying new crop varieties requires plant breeders to make selection decisions without knowing the future environments those crop varieties will encounter in farmers’ fields. Therefore, both lower cost and higher accuracy methods for prediction of crop performance are essential for creating and maintaining resilient agricultural systems in the latter half of the 21 st century. To address this challenge, we conducted linked yield trials of 752 public maize ( Zea mays ) genotypes in two distinct environments. We developed and trained a phenotypic prediction model to predict yield from manually scored plant traits. The phenotypic prediction approach we employed outperformed genomic prediction in predicting yields in a second environment, with 8.7%–63% higher R 2 and 4%–13% less root mean square error than the genomic prediction. The phenotypic prediction has the potential to be applied to a wider range of breeding programs, including those that lack the resources to genotype large populations, such as programs in the developing world, breeding programs for specialty crops, and public sector programs.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Evaluation of UAV-derived multimodal remote sensing data for biomass prediction and drought tolerance assessment in bioenergy sorghum

Screening for drought tolerance is critical to ensure high biomass production of bioenergy sorghum in arid or semi-arid environments. The bottleneck in drought tolerance selection is the challenge of accurately predicting biomass for a large number of genotypes. Although biomass prediction by low-altitude remote sensing has been widely investigated on various crops, the performance of the predictions are not consistent, especially when applied in a breeding context with hundreds of genotypes. In some cases, biomass prediction of a large group of genotypes benefited from multimodal remote sensing data; while in other cases, the benefits were not obvious. In this study, we evaluated the performance of single and multimodal data (thermal, RGB, and multispectral) derived from an unmanned aerial vehicle (UAV) for biomass prediction for drought tolerance assessments within a context of bioenergy sorghum breeding. The biomass of 360 sorghum genotypes grown under well-watered and water-stressed regimes was predicted with a series of UAV-derived canopy features, including canopy structure, spectral reflectance, and thermal radiation features. Biomass predictions using canopy features derived from the multimodal data showed comparable performance with the best results obtained with the single modal data with coefficients of determination (R 2 ) ranging from 0.40 to 0.53 under water-stressed environment and 0.11 to 0.35 under well-watered environment. The significance in biomass prediction was highest with multispectral followed by RGB and lowest with the thermal sensor. Finally, two well-recognized yield-based drought tolerance indices were calculated from ground truth biomass data and UAV predicted biomass, respectively. Results showed that the geometric mean productivity index outperformed the yield stability index in terms of the potential for reliable predictions by the remotely sensed data. Collectively, this study demonstrated a promising strategy for the use of different UAV-based imaging sensors to quantify yield-based drought tolerance.

09 BIOMASS FUELS↗
DOE OSTI2023

Large-scale genomic analyses with machine learning uncover predictive patterns associated with fungal phytopathogenic lifestyles and traits

Abstract Invasive plant pathogenic fungi have a global impact, with devastating economic and environmental effects on crops and forests. Biosurveillance, a critical component of threat mitigation, requires risk prediction based on fungal lifestyles and traits. Recent studies have revealed distinct genomic patterns associated with specific groups of plant pathogenic fungi. We sought to establish whether these phytopathogenic genomic patterns hold across diverse taxonomic and ecological groups from the Ascomycota and Basidiomycota, and furthermore, if those patterns can be used in a predictive capacity for biosurveillance. Using a supervised machine learning approach that integrates phylogenetic and genomic data, we analyzed 387 fungal genomes to test a proof-of-concept for the use of genomic signatures in predicting fungal phytopathogenic lifestyles and traits during biosurveillance activities. Our machine learning feature sets were derived from genome annotation data of carbohydrate-active enzymes (CAZymes), peptidases, secondary metabolite clusters (SMCs), transporters, and transcription factors. We found that machine learning could successfully predict fungal lifestyles and traits across taxonomic groups, with the best predictive performance coming from feature sets comprising CAZyme, peptidase, and SMC data. While phylogeny was an important component in most predictions, the inclusion of genomic data improved prediction performance for every lifestyle and trait tested. Plant pathogenicity was one of the best-predicted traits, showing the promise of predictive genomics for biosurveillance applications. Furthermore, our machine learning approach revealed expansions in the number of genes from specific CAZyme and peptidase families in the genomes of plant pathogens compared to non-phytopathogenic genomes (saprotrophs, endo- and ectomycorrhizal fungi). Such genomic feature profiles give insight into the evolution of fungal phytopathogenicity and could be useful to predict the risks of unknown fungi in future biosurveillance activities.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Improving net ecosystem CO2 flux prediction using memory-based interpretable machine learning

Terrestrial ecosystems play a central role in the global carbon cycle and affect climate change. However, our predictive understanding of these systems is still limited due to their complexity and uncertainty about how key drivers and their legacy effects influence carbon fluxes. Here, we propose an interpretable Long Short-Term Memory (iLSTM) network for predicting net ecosystem CO 2 exchange (NEE) and interpreting the influence on the NEE prediction from environmental drivers and their memory effects. We consider five drivers and apply the method to three forest sites in the United States. Besides performing the prediction in each site, we also conduct transfer learning by using the iLSTM model trained in one site to predict at other sites. Results show that the iLSTM model produces good NEE predictions for all three sites and, more importantly, it provides reasonable interpretations on the input driver's importance as well as their temporal importance on the NEE prediction. Additionally, the iLSTM model demonstrates good across-site transferability in terms of both prediction accuracy and interpretability. The transferability can improve the NEE prediction in unobserved forest sites, and the interpretability advances our predictive understanding and guides process-based model development.

Liu, Siyan↗