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All sourcesNASA NTRSDOE OSTI
NASA NTRS2021

Reduced El NiñO Variability in the Mid-Pliocene According to the Pliomip2 Ensemble

The mid-Pliocene warm period (3.264–3.025 Ma) is the most recent geological period during which atmospheric CO 2 levels were similar to recent historical values (∼400 ppm). Several proxy reconstructions for the mid-Pliocene show highly reduced zonal sea surface temperature (SST) gradients in the tropical Pacific Ocean, indicating an El Niño-like mean state. However, past modelling studies do not show these highly reduced gradients. Efforts to understand mid-Pliocene climate dynamics have led to the Pliocene Model Intercomparison Project (PlioMIP). Results from the first phase (PlioMIP1) showed clear El Niño variability (albeit significantly reduced) and did not show the greatly reduced time-mean zonal SST gradient suggested by some of the proxies. In this work, we study El Niño–Southern Oscillation (ENSO) variability in the PlioMIP2 ensemble, which consists of additional global coupled climate models and updated boundary conditions compared to PlioMIP1. We quantify ENSO amplitude, period, spatial structure and “flavour”, as well as the tropical Pacific annual mean state in mid-Pliocene and pre-industrial simulations. Results show a reduced ENSO amplitude in the model-ensemble mean (−24 %) with respect to the pre-industrial, with 15 out of 17 individual models showing such a reduction. Furthermore, the spectral power of this variability considerably decreases in the 3–4-year band. The spatial structure of the dominant empirical orthogonal function shows no particular change in the patterns of tropical Pacific variability in the model-ensemble mean, compared to the pre-industrial. Although the time-mean zonal SST gradient in the equatorial Pacific decreases for 14 out of 17 models (0.2 ∘C reduction in the ensemble mean), there does not seem to be a correlation with the decrease in ENSO amplitude. The models showing the most “El Niño-like” mean state changes show a similar ENSO amplitude to that in the pre-industrial reference, while models showing more “La Niña-like” mean state changes generally show a large reduction in ENSO variability. The PlioMIP2 results show a reasonable agreement with both time-mean proxies indicating a reduced zonal SST gradient and reconstructions indicating a reduced, or similar, ENSO variability.

mid-Pliocene warm period↗
NASA NTRS2024

Variability and Distribution of Nighttime Equatorial to Mid Latitude Ionospheric Irregularities and Vertical Plasma Drift Observed by FORMOSAT-5 Advanced Ionospheric Probe In-Situ Measurements from 2017 – 2020

Irregularities in ionospheric plasma distribution can result in severe scintillation and disruption to the radio frequencies utilized for satellite communications and navigation. In the low and mid latitudes, these irregularities can include Equatorial Plasma Bubbles (EPBs) and Travelling Ionospheric Disturbances (TIDs). EPBs are irregularities manifesting in low latitude nighttime ionosphere plasma density that can extend along magnetic field lines with zonal scales on the order of 100 km or less, while TIDs are propagating wave disturbances. High frequency in-situ measurements of ionospheric plasma aboard spacecraft in Low Earth Orbit (LEO) are a direct measurement of irregularities in plasma density and are therefore valuable for resolving EPB and TID occurrences, variability, and relation to other ionospheric parameters that are believed to play a driving role in the formation of such irregularities. In this study, we utilize observations taken over a three-year period between 2017 and 2020 by the Advanced Ionospheric Probe (AIP) carried aboard the FORMOSAT-5 satellite to examine the spatial, seasonal, and interannual variability of equatorial to mid latitude ionospheric irregularities and vertical ion drift during this time. AIP provides in-situ measurements of ion density and vertical ion drift in the equatorial to mid latitude ionosphere at approximately 720 km altitude with local times between 22:00 – 23:00 local time. Our global scale results resolve distinct and inter-annually recurrent seasonal patterns in the distribution of nighttime ionospheric irregularities and vertical plasma drift during this time. Elevated occurrences of ion density irregularities are resolved along the Equatorial Ionization Anomaly (EIA) latitudes, while notable occurrences with variability consistent with EPBs also observed along the low and equatorial magnetic latitudes. Zonal variability of equatorial irregularities consistent with the signatures of nonmigrating atmospheric tides are observed. It is also notable that the occurrences and geographic distribution of ion density irregularities showed a considerable level of interannual variability, especially at mid latitudes over the South Atlantic and Southern African sectors, which showed much higher levels of irregularities in 2017–––2018, compared to 2019 and 2020. In comparison, the spatial and interannual variation of the co-located vertical ion drifts were much more consistent during the years examined, indicating that the driver for the observed interannual variability in ion density irregularities cannot be attributed to the vertical ion drift at the same time and location of the observations. This highlights the need for in-situ instruments distributed across multiple satellites in different local time zones.

ionosphere↗
DOE OSTI2021

Detecting multi‐scale riverine topographic variability and its influence on Chinook salmon habitat selection

Abstract Quantifying geomorphic conditions that impact riverine ecosystems is critical in river management due to degraded riverine habitat, changing flow and thermal conditions, and increasing anthropogenic pressure. Geomorphic complexity at different scales directly impacts habitat heterogeneity and affects aquatic biodiversity resilience. Here we showed that the combination of continuous spatial survey at high resolution, topobathymetric light detection and ranging (LiDAR), and continuous wavelet analysis can help identify and characterize that complexity. We used a continuous wavelet analysis on 1‐m resolution topobathymetry in three rivers in the Salmon River Basin, Idaho (USA), to identify different scales of topographic variability and the potential effects of this variability on salmonid redd site selection. On each river, wavelet scales characterized the topographic variability by portraying repeating patterns in the longitudinal profile. We found three major representative spatial wavelet scales of topographic variability in each river: a small wavelet scale associated with local morphology such as pools and riffles, a mid‐wavelet scale that identified larger channel unit features, and a large wavelet scale related to valley‐scale controls. The small wavelet scale was used to identify pools and riffles along the entire lengths of each river as well as areas with differing riffle‐pool development. Areas along the rivers with high local topographic variability (high wavelet power) at all wavelet scales contained the largest features (i.e., deepest or longest pools) in the systems. By comparing the wavelet power for each wavelet scale to Chinook salmon redd locations, we found that higher small‐scale wavelet power, which is related to pool‐riffle topography, is important for redd site selection. The continuous wavelet methodology objectively identified scales of topographic variability present in these rivers, performed efficient channel‐unit identification, and provided geomorphic assessment without laborious field surveys.

Duffin, Jenna↗
DOE OSTI2020

Assessment of rainfall variability and future change in Brazil across multiple timescales

Abstract Rainfall variability change under global warming is a crucial issue that may have a substantial impact on society and the environment, as it can directly impact biodiversity, agriculture, and water resources. Observed precipitation trends and climate change projections over Brazil indicate that many sectors of society are potentially highly vulnerable to the impacts of climate change. The purpose of this study is to assess model projections of the change in rainfall variability at various temporal scales over sub‐regions of Brazil. For this, daily data from 30 CMIP5 models for historical (1900–2005) and future (2050–2100) experiments under a high‐emission scenario are used. We assess the change in precipitation variability, applying a band‐pass filter to isolate variability on daily, weekly, monthly, intra‐seasonal, and El Nino Southern Oscillation (ENSO) time scales. For historical climate, simulated precipitation is evaluated against observations to establish model reliability. The results show that models largely agree on increases in variability on all timescales in all sub‐regions, except on ENSO timescales where models do not agree on the sign of future change. Brazil will experience more rainfall variability in the future that is, drier or more frequent dry periods and wetter wet periods on daily, weekly, monthly, and intra‐seasonal timescales, even in sub‐regions where future changes in mean rainfall are currently uncertain. This may provide useful information for climate change adaptation across, for example, the agriculture and water resource sectors in Brazil.

Alves, Lincoln M.↗
DOE OSTI2025

High resolution variability in wet deposition in the southeastern United States

Rainwater chemistry is determined by atmospheric pollutants and particles which vary spatially and temporally. Industrial and agricultural activities and meteorological events (e.g. sea breezes, severe weather, blowing dust) alter atmospheric particle and trace gas compositions. These gases and particles are scavenged by cloud and rain droplets that drive wet deposition. During an Intensive Operation Period (IOP) from April to October 2021, rainwater was collected at higher frequency intervals, usually daily, after precipitation events at three locations on the Savannah River Site (SRS). The farthest locations were separated by approximately 20 km. The mean concentration (μeq/L) of seven ions followed the Cl⁻ > SO 4 2− > Na⁺ > NO 3 ⁻ > K⁺ > Mg 2+ > Ca 2+ downward trend. Ion concentrations were compared to background ion concentrations from the National Atmospheric Deposition Program (NADP). The high frequency monthly averaged SRS data compared well with the monthly averaged NADP background but demonstrated extensive variability. In some months in 2021, the high frequency data compared better to the NADP site near the coast while in other months inland sites compared better. Strong spatial variability for ion concentrations was observed across SRS which was attributed to localized impacts in rainfall spatial variability. High frequency measurements allowed for comparison to regional weather patterns indicating influences from the Atlantic Ocean, Gulf of Mexico, and cities. This can account for spatial variability in the wet deposition flux. Sea breezes, Saharan dust, and anthropogenic sources were shown to impact wet deposition flux variability. Higher frequency precipitation chemistry sampling at numerous locations better captures ion concentration variability and improves measurement representativeness.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

An embedded variable step IMEX scheme for the incompressible Navier–Stokes equations

This report presents a series of implicit–explicit (IMEX) variable stepsize algorithms for the incompressible Navier–Stokes equations (NSE). Here, IMEX means the nonlinear term is treated fully explicitly while the remaining terms are treated implicitly. With the advent of new computer architectures there has been growing demand for low memory solvers of this type. The addition of time adaptivity improves the accuracy and greatly enhances the efficiency of the algorithm. We prove energy stability of an embedded first–second order IMEX pair. For the first order member of the pair, we prove stability for variable stepsizes, and analyze convergence. We believe this to be the first proof of this type for a variable stepsize IMEX scheme for the incompressible NSE. We then define and test a variable stepsize, variable order IMEX scheme using these methods. Our work contributes several firsts for IMEX NSE schemes, including an energy argument and error analysis of a two-step, variable stepsize method, and embedded error estimation for an IMEX multi-step method.

42 ENGINEERING↗
DOE OSTI2023

A machine learning approach for identifying variables associated with risk of developing neutralizing antidrug antibodies to factor VIII

A key unmet need in the management of hemophilia A (HA) is the lack of clinically validated markers that are associated with the development of neutralizing antibodies to Factor VIII (FVIII) (commonly referred to as inhibitors). This study aimed to identify relevant biomarkers for FVIII inhibition using Machine Learning (ML) and Explainable AI (XAI) using the My Life Our Future (MLOF) research repository. The dataset includes biologically relevant variables such as age, race, sex, ethnicity, and the variants in the F8 gene. In addition, we previously carried out Human Leukocyte Antigen Class II (HLA-II) typing on samples obtained from the MLOF repository. Using this information, we derived other patient-specific biologically and genetically important variables. These included identifying the number of foreign FVIII derived peptides, based on the alignment of the endogenous FVIII and infused drug sequences, and the foreign-peptide HLA-II molecule binding affinity calculated using NetMHCIIpan. The data were processed and trained with multiple ML classification models to identify the top performing models. The top performing model was then chosen to apply XAI via SHAP, (SHapley Additive exPlanations) to identify the variables critical for the prediction of FVIII inhibitor development in a hemophilia A patient. Using XAI we provide a robust and ranked identification of variables that could be predictive for developing inhibitors to FVIII drugs in hemophilia A patients. These variables could be validated as biomarkers and used in making clinical decisions and during drug development. The top five variables for predicting inhibitor development based on SHAP values are: (i) the baseline activity of the FVIII protein, (ii) mean affinity of all foreign peptides for HLA DRB 3, 4, & 5 alleles, (iii) mean affinity of all foreign peptides for HLA DRB1 alleles), (iv) the minimum affinity among all foreign peptides for HLA DRB1 alleles, and (v) F8 mutation type.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

A novel conditional generative model for efficient ensemble forecasts of state variables in large-scale geological carbon storage

Integrating monitoring data to efficiently update reservoir pressure and CO 2 plume distribution forecasts presents a significant challenge in geological carbon storage (GCS) applications. Inverse modeling techniques are commonly used to fuse observational data and refine reservoir model parameters, thereby improving state variable forecasts. However, these techniques often rely on linear or Gaussian assumptions, which can limit their effectiveness in accurately predicting state variables. Moreover, simulating large-scale three-dimensional (3D) GCS problems is computationally expensive, making iterative runs in inverse problems prohibitive. To address these challenges, we propose a conditional generative model utilizing the score-based diffusion method for real-time 3D pressure and saturation field distribution predictions. Our approach involves solving the score function with a mini-batch-based Monte Carlo estimator to generate labeled data. This data is subsequently employed to train a fully connected neural network, enabling it to learn the conditional sample generator within a supervised learning framework. This method enables the rapid generation of a large ensemble of predictions, facilitating comprehensive uncertainty quantification of state variables. Here we applied our method to forecast the dynamic 3D distributions of pressure and saturation fields over a 30-year injection period. The statistical assessment with low root mean square error (RMSE) values demonstrates that our method can accurately predict the spatiotemporal distributions of both pressure and saturation fields. Moreover, the developed conditional generative model shows high computational efficiency by generating 100 ensemble forecasts of 3D state variables in less than 10 min. The consistency between ensemble averages and ground truth values further illustrates the model’s capability to capture state variable dynamics during the CO 2 plume injection process. Notably, the ground truth values fall within the ensemble forecasts, indicating that our uncertainty quantification effectively captures variability and potential noise in the observations. Thus, the developed conditional generative model proves to be a more efficient, accurate, and practical tool for GCS applications, facilitating timely risk analysis and informed decision-making.

58 GEOSCIENCES↗
DOE OSTI2021

A data-driven global soil heterotrophic respiration dataset and the drivers of its inter-annual variability

Soil heterotrophic respiration (SHR), one of the primary carbon fluxes from terrestrial ecosystems to the atmosphere, is important for carbon-climate feedbacks because of its sensitivity to available litter and soil carbon, climatic conditions, and nutrient availability. However, until recently limited SHR data were available, and most published global SHR estimates have either a short time span, coarse spatial resolution, or reply on overly-simple model formulations. To better understand and quantify the global distribution of SHR and its sensitivity to climate variability, we produced a new global SHR dataset using Random Forest algorithms, up-scaling 455 point data from the Global Soil Respiration Database (SRDB 4.0) with gridded fields of climatic, edaphic and productivity as explanatory variables. We estimated a global total SHR of 46.8 Pg C yr-1 over 1985-2013 (95% confidence interval: 38.6-56.3 Pg C yr-1), with a significant increasing trend of 0.03 Pg C yr-2 during this period. We found that the choice of soil moisture datasets contributes more to the difference among these data-driven SHR members rather than that of productivity, temperature and precipitation data sources. We also analyzed the influence of climatic variables on the inter-annual variability (IAV) of our SHR product. Water availability was the dominant driver of IAV at global scales, although the inferred sensitivity depends on the choice of the soil moisture gridded dataset. At the ecosystem scale, temperature strongly controls the IAV of SHR in tropical forests, while water availability dominates in extra-tropical forest and semi-arid regions. Our machine-learning gridded SHR dataset and outputs from process-based land surface models (TRENDYv6) show agreement for a strong association between water variability and SHR IAV at the global scale, but the two approaches lead to different temporal trend globally and different controlling variables for IAV at the ecosystem scale. Our study provides evidence for the pervasive and important role of water availability in driving SHR, indicating both a direct effect limiting decomposition rates and an indirect effect through the amount of fresh organic matter made available to SHR from productivity. In consideration of potential limitations and uncertainties remaining in our data-driven SHR datasets, we call for a more scientifically designed observation network for SHR, more observation data compilation, and increased use of deep learning methods making maximum use of observation data in hand. This will benefit process-based models, and improve our understanding of SHR response to future anomalous environmental conditions.

Yao, Yitong↗
DOE OSTI2020

Semiquantitative Estimates of Rainfall Variability During the 8.2 kyr Event in California Using Speleothem Calcium Isotope Ratios

A multiproxy record from a fast-growing stalagmite reveals variable hydroclimate on the California coast across the 8.2 kyr event and a precursor event likely caused by initial drainage of proglacial Lake Agassiz. Using speleothem δ 44 Ca, we develop the first semiquantitative estimates of paleorainfall variability for California through calibration with measurements of the modern climate and cave environment. We find that the magnitude of rainfall variability during the 8.2 kyr event approached the multiyear variability observable in the recent past (1950–2019) and the magnitude of variability during the precursor event likely exceeded this range. Additionally, we observe other instances of multidecadal variability comparable in magnitude to the precursor event during the record. Finally, our work suggests that speleothem calcium isotope ratios are a powerful semiquantitative means to reconstruct paleorainfall, although numerous factors must be assessed in each cave system before applying this approach.

58 GEOSCIENCES↗
DOE OSTI2022

Intrinsic Century-Scale Variability in Tropical Pacific Sea Surface Temperatures and Their Influence on Western US Hydroclimate

Hydroclimate variability of the southwest United States (SWUS) is influenced by the tropical Pacific Ocean, particularly through the teleconnection to El Nino/Southern Oscillation (ENSO), which is expected to be altered by climate change. Natural variability in this teleconnection has not been robustly quantified, complicating the detection of anthropogenic climate change. Here, we use a linear inverse model (LIM) to quantify natural variability in the ENSO-SWUS teleconnection. The LIM yields realistic teleconnection patterns with century-scale variability comparable to simulations from the Last Millennium Ensemble project and the Climate Model Intercomparison Project Phases 5 and 6. The variability quantified by the LIM illuminates two aspects of our understanding of ENSO and its impacts: the inherent statistics of the observable system can produce century-long periods with a wide range of correlations to SWUS hydroclimate, including nonsignificant correlations, and thus that detecting changes in ENSO-related hydroclimate variability is challenging in a changing climate.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Evaluating the Effects of Precipitation and Evapotranspiration on Soil Moisture Variability Within CMIP5 Using SMAP and ERA5 Data

=The effects of precipitation (Pr) and evapotranspiration (ET) on surface soil moisture (SSM) play an essential role in the land-atmosphere system. Here we evaluate multimodel differences of these effects within the Coupled Model Intercomparison Project Phase 5 (CMIP5) compared to Soil Moisture Active Passive (SMAP) products and ECMWF Reanalysis v5 (ERA5) as references in a frequency domain. The variability of SSM, Pr, and ET within three frequency bands (1/7 ~ 1/30 days -1 , 1/30 ~ 1/90 days -1 , and 1/90 ~ 1/365 days -1 ) after normalization is quantified using Fourier transform. We analyze the impact of ET and Pr on SSM variability based on a transfer function assuming that these variables form a linear time-invariant (LTI) system. For the total effects of ET and Pr on SSM variability, the CMIP5 estimations are smaller than the reference data in the two higher frequency bands and are larger than the reference data in the lowest frequency band. Besides, the effects on SSM by Pr and ET are found to be different across the three frequency bands. In each frequency band, the variability of the factor that dominates SSM (i.e., Pr or ET) from CMIP5 is smaller than that from the references. This study identifies the spatiotemporal distribution of differences between CMIP5 models and references (SMAP and ERA5) in simulating ET and Pr effects on SSM within three frequency bands. This study provides insightful information on how soil moisture variability is affected by varying precipitation and evapotranspiration at different time scales within Earth System Models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Separate the Role of Southern and Northern Extra‐Tropical Pacific in Tropical Pacific Climate Variability

Abstract Observational and modeling studies have elucidated the influential role played by the southern and northern extratropical Pacific (SEP and NEP) forcing in shaping dynamics of tropical Pacific climate variability. However, the relative importance of the NEP and SEP and the timescale on which they impact the tropics remain unclear. Using a linear inverse model (LIM) that selectively incorporates or excludes tropical‐extratropical coupling, we find a reduction in tropical interannual variability (∼40%) and low‐frequency (sub‐decadal to decadal) variability in the southeastern tropical Pacific region (∼70%) in the absence of SEP. Conversely, the absence of NEP yields no significant impact on tropical interannual variability but markedly diminishes low‐frequency variability in the central tropical Pacific region (∼70%). LIM and statistic diagnostics on CMIP6 models show the low‐frequency to total variability ratio in the tropical Pacific depending on their NEP and SEP representation. Models with more (less) low‐frequency power tend to show stronger NEP (SEP) dynamics.

Geology↗
DOE OSTI2025

Insights into catalyst degradation during alkaline water electrolysis under variable operation

Energy conversion technologies that are key to decarbonization efforts face significant durability challenges due to variable operation. Understanding the impact of variable operation on catalytic stability and identifying the key variables that dictate degradation is crucial for developing robust technologies. Here, we present a comprehensive investigation of the effects of variable operation on liquid alkaline water electrolysis. Our findings reveal that variable operation induces severe degradation of Ni, Fe, and Co catalytic films that is not observed during steady-state operation. By systematically interrogating the electrode discharge during simulated shutdown tests using Raman spectroscopy and mass spectrometry techniques, we uncover significant alterations caused by reverse currents in real time. These include changes in crystal structure, composition, film thickness, electronic conductivity, and dissolution rates. Lab-scale electrolyzer experiments further highlight the impact of variable operation on catalyst materials under relevant conditions. Finally, we provide guidelines for leveraging these insights to advance electrocatalysis research. This work underscores the importance of integrating realistic stressors into stability testing and offers practical guidelines for catalyst design, performance evaluation, and industrial implementation. Collectively, insights from this study will drive the development of more resilient energy conversion technologies.

Marquez, Raul A. [Univ. of Texas, Austin, TX (Unit↗
DOE OSTI2022

Evaluation of nonlinear control performance of air handling units under variable operation conditions using root distribution approach

The control systems at Air handling units (AHUs) have nonlinear nature, resulting potentially in sluggish, aggressive, or oscillatory responses under variable operation conditions. This paper is to develop an approach for evaluating the nonlinear control performance of AHUs under variable operation conditions and for identifying the impact of varying multiple operation parameters which guides controller design. To do so, an operation parameter-based root distribution technique, intended to sketch the paths traced by closed-loop poles as multiple operation parameters are varied, is first introduced. The technique—which may be viewed as an extension of conventional, single-variable root locus—is then applied to a fan speed control system that includes a motor with a variable frequency drive and a supply fan with an air duct under variable fan speed and duct static pressure. Using the technique, the system’s stability region is graphically identified. The system is also found to be aggressive and gradually lose its stability as the fan speed decreases and the duct static pressure increases, which is validated by the field tests. Here, the root distribution approach is an effective tool to evaluate the performance of any nonlinear control systems at AHUs with multiple variable operation parameters without requiring time-domain simulations.

42 ENGINEERING↗
DOE OSTI2026

Machine learning method for enforcing variable independence in background estimation with LHC data: ABCDisCoTEC

A novel solution is presented for the problem of estimating the backgrounds of a signal search using observed data while simultaneously maximizing the sensitivity of the search to the signal. The 'ABCD method' provides a reliable framework for background estimation by partitioning events into one signal-enhanced region (A) and three background-enhanced control regions (B, C, and D) via two smoothly varying, statistically independent variables. In practice, even slight correlations between the two variables can significantly undermine the method's performance. Thus, choosing appropriate variables by hand can present a formidable challenge, especially when background and signal differ only subtly. To address this issue, the ABCD with distance correlation (ABCDisCo) method was developed to construct two learned variables via a neural network trained to provide strong signal-background discrimination with small values of the distance correlation (DisCo) measure between the two learned variables. However, relying solely on minimizing the DisCo can result in learned variables that may not have distributions of background events that are smoothly varying and localized at extreme values, as necessary for the validity of the background estimation. The ABCDisCo training enhanced with closure (ABCDisCoTEC) method is introduced to solve this issue by directly minimizing the nonclosure, expressed as a dedicated differentiable loss term. This extended method is applied to a data set of proton-proton collisions at a center-of-mass energy of 13 TeV recorded by the CMS detector at the CERN Large Hadron Collider. Additionally, given the complexity of the minimization problem with constraints on multiple loss terms, the modified differential method of multipliers is applied and shown to greatly improve the stability and robustness of the ABCDisCoTEC method, compared to grid search hyperparameter optimization procedures.

Hayrapetyan, Aram [Yerevan Phys. Inst.]↗
DOE OSTI2024

Evaluating the impact of anatomical and physiological variability on human equivalent doses using PBPK models

Abstract Addressing human anatomical and physiological variability is a crucial component of human health risk assessment of chemicals. Experts have recommended probabilistic chemical risk assessment paradigms in which distributional adjustment factors are used to account for various sources of uncertainty and variability, including variability in the pharmacokinetic behavior of a given substance in different humans. In practice, convenient assumptions about the distribution forms of adjustment factors and human equivalent doses (HEDs) are often used. Parameters such as tissue volumes and blood flows are likewise often assumed to be lognormally or normally distributed without evaluating empirical data for consistency with these forms. In this work, we performed dosimetric extrapolations using physiologically based pharmacokinetic (PBPK) models for dichloromethane (DCM) and chloroform that incorporate uncertainty and variability to determine if the HEDs associated with such extrapolations are approximately lognormal and how they depend on the underlying distribution shapes chosen to represent model parameters. We accounted for uncertainty and variability in PBPK model parameters by randomly drawing their values from a variety of distribution types. We then performed reverse dosimetry to calculate HEDs based on animal points of departure for each set of sampled parameters. Corresponding samples of HEDs were tested to determine the impact of input parameter distributions on their central tendencies, extreme percentiles, and degree of conformance to lognormality. This work demonstrates that the measurable attributes of human variability should be considered more carefully and that generalized assumptions about parameter distribution shapes may lead to inaccurate estimates of extreme percentiles of HEDs.

Toxicology↗
DOE OSTI2024

AutoCheck: Automatically Identifying Variables for Checkpointing by Data Dependency Analysis

Checkpoint/Restart (C/R) has been widely deployed in numerous HPC systems, Clouds, and industrial data centers, which are typically operated by system engineers. Nevertheless, there is no existing approach that helps system engineers without domain expertise and domain scientists without system fault tolerance knowledge identify those critical variables accounted for correct application execution restoration in a failure for C/R. To address this problem, we propose an analytical model and a tool (AutoCheck) that can automatically identify critical variables to checkpoint for C/R. AutoCheck relies on first, analytically tracking and optimizing data dependency between variables and other application execution state, and second, a set of heuristics that identify critical variables for checkpointing from the refined data dependency graph (DDG). AutoCheck allows programmers to pinpoint critical variables to checkpoint quickly within a few minutes. We evaluate AutoCheck on 13 representative HPC benchmarks, demonstrating that AutoCheck can efficiently identify correct critical variables to checkpoint.

HPC↗