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At least 253 records · Page 14

Temporal sequence transformer to advance long-term streamflow prediction

Accurate streamflow prediction is crucial for understanding climate change impacts on water resources and for effective management of extreme hydrological events. While Long Short-Term Memory (LSTM) networks have been the dominant data-driven approach for streamflow forecasting, recent advancements in transformer architectures for time series tasks have shown promise in outperforming traditional LSTM models. This study introduces a transformer-based model that integrates historical streamflow data with climatic variables to enhance streamflow prediction accuracy. We evaluated our transformer model against a benchmark LSTM across five diverse basins in the United States. Results demonstrate that the transformer architecture consistently outperforms the LSTM model across all evaluation metrics, highlighting its potential as a more effective tool for hydrological forecasting. This research contributes to the ongoing development of advanced AI techniques for improved water resource management and climate change adaptation strategies.

Singh, Ruhaan [Farragut High School]↗

From Escherichia coli mutant 13 C labeling data to a core kinetic model: A kinetic model parameterization pipeline

Kinetic models of metabolic networks offer the promise of quantitative phenotype prediction. The mechanistic characterization of enzyme catalyzed reactions allows for tracing the effect of perturbations in metabolite concentrations and reaction fluxes in response to genetic and environmental perturbation that are beyond the scope of stoichiometric models. In this study, we develop a two-step computational pipeline for the rapid parameterization of kinetic models of metabolic networks using a curated metabolic model and available 13 C-labeling distributions under multiple genetic and environmental perturbations. The first step involves the elucidation of all intracellular fluxes in a core model of E. coli containing 74 reactions and 61 metabolites using 13 C-Metabolic Flux Analysis ( 13 C-MFA). Here, fluxes corresponding to the mid-exponential growth phase are elucidated for seven single gene deletion mutants from upper glycolysis, pentose phosphate pathway and the Entner-Doudoroff pathway. The computed flux ranges are then used to parameterize the same (i.e., k-ecoli74) core kinetic model for E. coli with 55 substrate-level regulations using the newly developed K-FIT parameterization algorithm. The K-FIT algorithm employs a combination of equation decomposition and iterative solution techniques to evaluate steady-state fluxes in response to genetic perturbations. k-ecoli74 predicted 86% of flux values for strains used during fitting within a single standard deviation of 13 C-MFA estimated values. By performing both tasks using the same network, errors associated with lack of congruity between the two networks are avoided, allowing for seamless integration of data with model building. Product yield predictions and comparison with previously developed kinetic models indicate shifts in flux ranges and the presence or absence of mutant strains delivering flux towards pathways of interest from training data significantly impact predictive capabilities. Using this workflow, the impact of completeness of fluxomic datasets and the importance of specific genetic perturbations on uncertainties in kinetic parameter estimation are evaluated.

59 BASIC BIOLOGICAL SCIENCES↗

The CEOP Inter-Monsoon Studies (CIMS)

Prediction of climate relies on models, and better model prediction depends on good model physics. Improving model physics requires the maximal utilization of climate data of the past, present and future. CEOP provides the first example of a comprehensive, integrated global and regional data set, consisting of globally gridded data, reference site in-situ observations, model location time series (MOLTS), and integrated satellite data for a two-year period covering two complete annual cycles of 2003-2004. The monsoon regions are the most important socio-economically in terms of devastation by floods and droughts, and potential impacts from climate change md fluctuatinns nf the hydrologic cyc!e. Scientifically, it is most challenging, because of complex interactions of atmosphere, land and oceans, local vs. remote forcings in contributing to climate variability and change in the region. Given that many common features, and physical teleconnection exist among different monsoon regions, an international research focus on monsoon must be coordinated and sustained. Current models of the monsoon are grossly inadequate for regional predictions. For improvement, models must be confronted with relevant observations, and model physic developers must be made to be aware of the wealth of information from existing climate data, field measurements, and satellite data that can be used to improve models. Model transferability studles must be conducted. CIMS is a major initiative under CEOP to engage the modeling and the observational communities to join in a coordinated effort to study the monsoons. The objectives of CIMS are (a) To provide a better understanding of fundamental physical processes (diurnal cycle, annual cycle, and intraseasonal oscillations) in monsoon regions around the world and (b) To demonstrate the synergy and utility of CEOP data in providing a pathway for model physics evaluation and improvement. In this talk, I will present the basic concepts of CIMS and the key scientific problems facing monsoon climates and provide examples of common monsoon features, and possible monsoon induced teleconnections linking different parts of the world.

Lau, William K. M.↗

TPSAS-NF1676L-31770-DND

HREBSD (high resolution electron backscatter diffraction) is a scanning electron microscope based diffraction technique that measures stress, elastic strain and dislocation density in crystalline materials with a spatial resolution on the order of tens of nanometers. This information represents a glut of quantitative data that may be directly incorporated in microscale crystal plasticity models. However, concerns over the accuracy of HREBSD make integration of microscopy data with material models problematic. This presentation addresses a number of issue concerning the accuracy of HREBSD, including pattern center error, cross-correlation error and random noise. Additionally, a computational framework is presented that allows for rapid, non-deterministic calibration of material models. Finally, several tests cases are presented where HREBSD is cross-validated with other diffraction techniques: X-ray diffraction, electron channeling contrast imaging and transmission electron microscopy. The accuracy of HREBSD, when incorporating these new techniques, is sufficient to measure local stress to below 10 MPa and to detect individual dislocations.

Timothy J Ruggles↗

A strategy to study regional hydrology and terrestrial ecosystem processes using satellite remote sensing, ground-based data and computer modeling

A strategy is presented for integrating scanning multichannel microwave radiometer data from the Nimbus-7 satellite with meteorological station records and computer simulations of land surface hydrology, terrestrial nutrient cycling, and trace gas emission. Analysis of the observations together with radiative transfer analysis shows that in the tropics the temporal and spatial variations of the polarization difference are determined primarily by the structure and phenology of vegetation and seasonal inundations of major rivers and wetlands. It is concluded that the proposed surface hydrology model, along with climatological records, and, potentially, 37-GHz data for phenology, will provide inputs to a terrestrial ecosystem model that predicts regional net primary production and CO2 gas exchange.

Vorosmarty, C.↗

Public Health Data Applications Using the CDC Tracking Network: Augmenting Environmental Hazard Information with Lower-latency NASA Data

Exposure to environmental hazards is an important determinant of health, and the frequency and severity of exposures is expected to be impacted by climate change. Through a partnership with the U.S. National Aeronautics and Space Administration, the U.S. Centers for Disease Control and Prevention’s National Environmental Public Health Tracking Network is integrating timely observations and model data of priority environmental hazards into its publicly accessible Data Explorer (https://ephtracking.cdc.gov/DataExplorer/). Newly integrated datasets over the contiguous U.S. (CONUS) include: daily 5-day forecasts of air quality based on the Goddard Earth Observing System Composition Forecast (GEOS-CF), daily historical (1980-present) concentrations of speciated PM2.5 based on the Modern Era Retrospective analysis for Research and Applications, version 2 (MERRA-2), and Moderate Resolution Imaging Spectroradiometer (MODIS) daily near real-time maps of flooding (MCDWD). Data integrated into the CDC Tracking Network are broadly intended to improve community health through action by informing both research and early warning activities, including (1) describing temporal and spatial trends in disease and potential environmental exposures, (2) identifying populations most affected, (3) generating hypotheses about associations between health and environmental exposures, and (4) developing, guiding, and assessing environmental public health policies and interventions aimed at reducing or eliminating health outcomes associated with environmental factors.

air quality↗

The Completed SDSS-IV extended Baryon Oscillation Spectroscopic Survey: measurement of the BAO and growth rate of structure of the emission line galaxy sample from the anisotropic power spectrum between redshift 0.6 and 1.1

We analyse the large-scale clustering in Fourier space of emission line galaxies (ELG) from the Data Release 16 of the Sloan Digital Sky Survey IV extended Baryon Oscillation Spectroscopic Survey. The ELG sample contains 173,736 galaxies covering 1,170 square degrees in the redshift range 0.6 < z < 1.1. We perform a BAO measurement from the post-reconstruction power spectrum monopole, and study redshift space distortions (RSD) in the first three even multipoles. Furthermore, photometric variations yield fluctuations of both the angular and radial survey selection functions. Those are directly inferred from data, imposing integral constraints which we model consistently. The full data set has only a weak preference for a BAO feature (1.4σ). At the effective redshift zeff = 0.845 we measure $D_{\rm V}(z_{\rm eff})/r_{\rm drag} = 18.33_{-0.62}^{+0.57}$, with DV the volume-averaged distance and rdrag the comoving sound horizon at the drag epoch. In combination with the RSD measurement, at zeff = 0.85 we find $f\sigma _8(z_{\rm eff}) = 0.289_{-0.096}^{+0.085}$, with f the growth rate of structure and σ8 the normalisation of the linear power spectrum, $D_{\rm H}(z_{\rm eff})/r_{\rm drag} = 20.0_{-2.2}^{+2.4}$ and DM(zeff)/rdrag = 19.17 ± 0.99 with DH and DM the Hubble and comoving angular distances, respectively. These results are in agreement with those obtained in configuration space, thus allowing a consensus measurement of fσ8(zeff) = 0.315 ± 0.095, $D_{\rm H}(z_{\rm eff})/r_{\rm drag} = 19.6_{-2.1}^{+2.2}$ and DM(zeff)/rdrag = 19.5 ± 1.0. This measurement is consistent with a flat ΛCDM model with Planck parameters.

79 ASTRONOMY AND ASTROPHYSICS↗

LinkML: an open data modeling framework

Background Scientific research relies on well-structured, standardized data; however, much of it is stored in formats such as free-text lab notebooks, nonstandardized spreadsheets, or data repositories. This lack of structure challenges interoperability, making data integration, validation, and reuse difficult. Findings LinkML (Linked Data Modeling Language) is an open framework that simplifies the process of authoring, validating, and sharing data. LinkML can describe a range of data structures, from flat, list-based models to complex, interrelated, and normalized models that utilize polymorphism and compound inheritance. It offers an approachable syntax that is not tied to any one technical architecture and can be integrated seamlessly with many existing frameworks. The LinkML syntax provides a standard way to describe schemas, classes, and relationships, allowing modelers to build well-defined, stable, and optionally ontology-aligned data structures. Once defined, LinkML schemas may be imported into other LinkML schemas. These key features make LinkML an accessible platform for interdisciplinary collaboration and a reliable way to define and share data semantics. Conclusions LinkML helps reduce heterogeneity, complexity, and the proliferation of single-use data models while simultaneously enabling compliance with FAIR (Findable, Accessible, Interoperable, and Reusable) data standards. LinkML has seen increasing adoption in various fields, including biology, chemistry, biomedicine, microbiome research, finance, electrical engineering, transportation, and commercial software development. In short, LinkML makes implicit models explicitly computable and allows data to be standardized at their origin. LinkML documentation and code are available at https://linkml.io/.

AI-ready data↗

GRO J1655-40: Early Stages of the 2005 Outburst

The black-hole X-ray binary transient GRO J1655-40 underwent an outburst beginning in early 2005. We present the results of our multi-wavelength observational campaign to study the early outburst spectral and temporal evolution, which combines data from X-ray (RXTE, INTEGRAL), radio (VLA) and optical (ROTSE, SMARTS) instruments. During the reported period the source left quiescence and went through four major accreting black hole states: low-hard, hard intermediate, soft intermediate and high-soft. We investigated dipping behavior in the RXTE band and compare our results to the 1996-1997 case, when the source was predominantly in the high-soft state, finding significant differences. We consider the evolution of the low frequency quasi-periodic oscillations and find that the frequency strongly correlates with the spectral characteristics, before shutting off prior to the transition to the high-soft state. We model the broad-band high-energy spectrum in the context of empirical models, as well as more physically motivated thermal and bulk-motion Comptonization and Compton reflection models. RXTE and INTEGRAL data together support a statistically significant high energy cut-off in the energy spectrum at approximately equal to 100 - 200 keV during the low-hard state. The RXTE data alone also show it very significantly during the transition, but cannot see one in the high-soft state spectra. We consider radio, optical and X-ray connections in the context of possible synchrotron and synchrotron self-Compton origins of X-ray emission in low-hard and intermediate states. In this outburst of GRO J1655-40, the radio flux does not rise strongly with the X-ray flux.

Shaposhnikov, N.↗

A new dynamic zOnal model with air-diffuser (DOMA) - Application to thermal comfort prediction

A new Dynamic zOnal Model with Air-diffuser (DOMA) was developed. Several case studies were investigated and tested to evaluate and validate this program using measurement data. This new model was integrated into a TRaNsient SYstems Simulation program library and coupled with the multi-zone thermal model. The DOMA/TRNSYS coupled model was then used to predict room temperature distribution over an entire day of a single-zone building. The results show that increasing the heating outputs of the electric floor system, for example, from 75 to 200 W/m 2 , would not effectively improve the indoor thermal comfort, since the thermostat will reach the set point first and then turn off the system before the room gets enough heat and reach a comfortable level. This indicates the importance of selecting an appropriate location and set point for the thermostat when using a floor heating system. This potential thermal comfort issue can only be identified through the two-node model with a dynamic zonal model rather than the conventional PMV model, which thus suggests that for optimizing indoor thermal comfort of a building equipped with a time-sensitive control strategy and/or HVAC system, the TSENS results obtained from the two-node model integrated with DOMA are more appropriate than PMVs.

Construction & Building Technology↗

A conceptual design for an integrated data base management system for remote sensing data

The requirements of potential users were considered in the design of an integrated data base management system, developed to be independent of any specific computer or operating system, and to be used to support investigations in weather and climate. Ultimately, the system would expand to include data from the agriculture, hydrology, and related Earth resources disciplines. An overview of the system and its capabilities is presented. Aspects discussed cover the proposed interactive command language; the application program command language; storage and tabular data maintained by the regional data base management system; the handling of data files and the use of system standard formats; various control structures required to support the internal architecture of the system; and the actual system architecture with the various modules needed to implement the system. The concepts on which the relational data model is based; data integrity, consistency, and quality; and provisions for supporting concurrent access to data within the system are covered in the appendices.

Maresca, P. A.↗

Metallic fuel cladding degradation model development and evaluation for BISON

Fuel cladding chemical interaction (FCCI) and coolant cladding chemical interaction (CCCI), both consume stainless-steel cladding in sodium-cooled fast reactors (SFRs), and effectively degrade cladding mechanical performance through thickness reduction. Therefore, FCCI/CCCI and corresponding cladding degradation models are essential for advanced fuel performance codes, such as BISON, to reliably predict cladding behavior in SFRs. Here, we report the development and implementation efforts for BISON's FCCI/CCCI correlations and cladding degradation models based on U.S. legacy metallic fuel data. The models were evaluated using Integral Fast Reactor (IFR) program X447/A experiment data supported by the ongoing integration project enabling coordinated application of BISON and EBR-II fuel irradiation and physics database (FIPD). Furthermore, the implemented models were demonstrated to improve BISON's capabilities of predicting cladding damage and degradation behavior that is more consistent with post-irradiation examination observations. Additionally, some limitations of current BISON modules are identified, which are to be overcome through the BISON-FIPD integration efforts.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Calibration and Uncertainty Estimation Using the Ensemble Kalman Filter with a Large Subsurface Flow and Transport Model - 20321

At routinely monitored groundwater contamination sites, periodically measured environmental conditions such as groundwater levels and contaminant concentrations are used to inform and confirm a conceptual site model (CSM) and guide the development and calibration of a numerical groundwater flow and transport model. The calibration of groundwater flow and transport models after each measurement (sampling) event can illuminate deficiencies in a CSM, identify areas where additional monitoring is warranted, and predict the behavior of the system to guide decision making. However, manual and automated (e.g. PEST) model calibration tools can be time-consuming and computationally expensive to implement after each sampling event. Perhaps as a result, such calibration tools generally utilize all available monitoring data simultaneously rather than sequentially assimilating monitoring data one sampling event at a time as the results from sampling become available. A more real-time data assimilation approach may reduce parameter uncertainty, quantify the value of additional monitoring data, and produce a usable model more quickly and with less effort. To mitigate the potential time-consuming aspects of manual and widely applied automated calibration techniques, a data assimilation algorithm called the ensemble Kalman filter (EnKF) was evaluated as a relatively efficient method of model calibration and uncertainty assessment via the sequential integration of monitoring data into a model. The EnKF was able to successfully and efficiently assimilate monitoring and modeling data to calibrate a complex flow and transport model at a real-world site with significant subsurface heterogeneity, uncertainty, and 12 years of monitoring data (over 4,000 individual measurements of groundwater levels and over 2,500 measurements of contaminant concentrations). Starting with an uncalibrated model data from annual sampling events were sequentially assimilated, and the resultant predication errors and estimated parameter uncertainties were tracked. After all monitoring data were assimilated, both flow and transport residuals at the end of the EnKF process were comparable to those produced via a concurrent PEST calibration effort but required fewer model simulations. Both uncertainty and prediction errors decreased over time. In a real-time application, the adequacy of the model could be assessed after each sampling event. The benefits of such a real-time approach to utilizing monitoring data include reduced costs (in the form of model updates or site characterization efforts), early flagging of possible errors in the CSM, and a reduced risk of overfitting and corresponding increased confidence in model predictions. This tool may be particularly useful compared to other calibration techniques (e.g. manual, PEST) when model runtimes are long, calibration parameters are many, or parameter uncertainty is large. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The Contribution of CEOP Data to the Understanding and Modeling of Monsoon Systems

CEOP has contributed and will continue to provide integrated data sets from diverse platforms for better understanding of the water and energy cycles, and for validaintg models. In this talk, I will show examples of how CEOP has contributed to the formulation of a strategy for the study of the monsoon as a system. The CEOP data concept has led to the development of the CEOP Inter-Monsoon Studies (CIMS), which focuses on the identification of model bias, and improvement of model physics such as the diurnal and annual cycles. A multi-model validation project focusing on diurnal variability of the East Asian monsoon, and using CEOP reference site data, as well as CEOP integrated satellite data is now ongoing. Preliminary studies show that climate models have difficulties in simulating the diurnal signals of total rainfall, rainfall intensity and frequency of occurrence, which have different peak hours, depending on locations. Further more model diurnal cycle of rainfall in monsoon regions tend to lead the observed by about 2-3 hours. These model bias offer insight into lack of, or poor representation of, key components of the convective and stratiform rainfall. The CEOP data also stimulated studies to compare and contrasts monsoon variability in different parts of the world. It was found that seasonal wind reversal, orographic effects, monsoon depressions, meso-scale convective complexes, SST and land surface land influences are common features in all monsoon regions. Strong intraseasonal variability is present in all monsoon regions. While there is a clear demarcation of onset, breaks and withdrawal in the Asian and Australian monsoon region associated with climatological intraseasonal variabillity, it is less clear in the American and Africa monsoon regions. The examination of satellite and reference site data in monsoon has led to preliminary model experiments to study the impact of aerosol on monsoon variability. I will show examples of how the study of the dynamics of aerosol-water cycle interactions in the monsoon region, can be best achieved using the CEOP data and modeling strategy.

Lau, William K. M.↗

An integrated approach to reconstructing genome-scale transcriptional regulatory networks

Transcriptional regulatory networks (TRNs) program cells to dynamically alter their gene expression in response to changing internal or environmental conditions. In this study, we develop a novel workflow for generating large-scale TRN models that integrates comparative genomics data, global gene expression analyses, and intrinsic properties of transcription factors (TFs). An assessment of this workflow using benchmark datasets for the well-studied γ-proteobacterium Escherichia coli showed that it outperforms expression-based inference approaches, having a significantly larger area under the precision-recall curve. Further analysis indicated that this integrated workflow captures different aspects of the E. coli TRN than expression-based approaches, potentially making them highly complementary. We leveraged this new workflow and observations to build a large-scale TRN model for the α-Proteobacterium Rhodobacter sphaeroides that comprises 120 gene clusters, 1211 genes (including 93 TFs), 1858 predicted protein-DNA interactions and 76 DNA binding motifs. We found that ~67% of the predicted gene clusters in this TRN are enriched for functions ranging from photosynthesis or central carbon metabolism to environmental stress responses. We also found that members of many of the predicted gene clusters were consistent with prior knowledge in R. sphaeroides and/or other bacteria. Experimental validation of predictions from this R. sphaeroides TRN model showed that high precision and recall was also obtained for TFs involved in photosynthesis (PpsR), carbon metabolism (RSP_0489) and iron homeostasis (RSP_3341). In addition, this integrative approach enabled generation of TRNs with increased information content relative to R. sphaeroides TRN models built via other approaches. We also show how this approach can be used to simultaneously produce TRN models for each related organism used in the comparative genomics analysis. Our results highlight the advantages of integrating comparative genomics of closely related organisms with gene expression data to assemble large-scale TRN models with high-quality predictions.

59 BASIC BIOLOGICAL SCIENCES↗

Daily operational impacts on battery degradation in heavy-duty electric drayage trucks

Battery aging is a critical factor influencing the performance, longevity, and cost of ownership of battery electric trucks (BETs). This paper presents a comprehensive evaluation of battery aging for two Li-ion battery chemistries, Nickel-Manganese-Cobalt (NMC) and Lithium-Iron-Phosphate (LFP), accounting for both cycling and calendar aging. In contrast to traditional methods that rely on simplified linear degradation models based on manufacturer-provided data, this study employs semi-empirical aging models calibrated to experimentally collected data. The models are integrated into a detailed vehicle simulation environment, enabling a comprehensive assessment of battery degradation under realistic operating conditions. A case study focusing on heavy-duty electric drayage truck operations in the Port of Savannah, GA, is presented to illustrate the impact on battery pack lifespan of: seasonal variations, daily operational activities, charging strategies, and battery storage conditions. The results illuminate the significance of the battery pack’s state of charge during stationary periods, such as overnight storage or weekend parking, on battery degradation and its potential implications for long-term vehicle viability. Additionally, the study explores how different operational and environmental factors affect battery degradation, offering critical insights into best battery charging and storage practices. Our results demonstrate that LFP outperforms NMC in terms of years of useful life; however, by utilizing charging strategies that minimize the amount of time the battery spends resting at high levels of state-of-charge, the lifespan of the battery pack that uses NMC can nonetheless be increased by more than a factor of two.

25 ENERGY STORAGE↗

A hierarchical gray-box dynamic modeling methodology for direct-expansion cooling systems to support control stability analysis; Méthodologie de modélisation dynamique hiérarchique de type boîte grise pour les systèmes de refroidissement à détente directe afin de soutenir l'analyse de stabilité de la commande

In this paper, a gray-box dynamic modeling approach for direct-expansion cooling systems is presented. The overall approach incorporates a multi-stage training procedure that consists of 1) identification of component sub-models from quasi-steady-state performance data, 2) system model integration with estimation of refrigerant charge and 3) fine tuning of thermal capacitances of the evaporator and condenser to capture the system dynamic responses. Compared to traditional physics-based models, the proposed modeling approach has advantages including reduced engineering efforts in the model development phase, improved computational efficiency and enhanced prediction accuracy. The modeling method was validated using a 3-ton variable-speed heat pump and proved to be capable of accurately predicting the system transient behaviors over a wide range of operating conditions. The established dynamic model was then applied for control stability analysis, with a specific goal of determining a proper control execution time step. The case study results showed that the stable control execution time step could change significantly, from 3 sec to 19 sec, as the operating conditions and control settings vary, and a proper selection of the execution time step is critical to ensure stable and reliable operations.

42 ENGINEERING↗

A multi-scale approach to designing therapeutics for tuberculosis

Approximately one third of the world’s population is infected with Mycobacterium tuberculosis . Limited information about how the immune system fights M. tuberculosis and what constitutes protection from the bacteria impact our ability to develop effective therapies for tuberculosis. We present an in vivo systems biology approach that integrates data from multiple model systems and over multiple length and time scales into a comprehensive multi-scale and multi-compartment view of the in vivo immune response to M. tuberculosis . Lastly, we describe computational models that can be used to study (a) immunomodulation with the cytokines tumor necrosis factor and interleukin 10, (b) oral and inhaled antibiotics, and (c) the effect of vaccination.

59 BASIC BIOLOGICAL SCIENCES↗