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DOE OSTI2024

Critical Literature Review of Low Global Warming Potential (GWP) Refrigerants and their Environmental Impact

Refrigeration and air conditioning currently account for ~20% of the total electricity consumption in buildings around the world. Over the next three decades as global temperatures are projected to increase, urbanization and economic growth will lead to an increased demand for refrigeration and cooling. Most commonly used refrigerants belong to the five following classes: (i) chlorofluorocarbons, (ii) hydrochlorofluorocarbons, (iii) hydrofluorocarbons (HFCs), (iv) hydrofluoroolefins (HFOs), and (v) natural refrigerants. Over the past century, there have been shifts in which compounds were used for refrigeration to improve safety and durability, allow for ozone protection, and, most recently, to reduce global warming potential (GWP). Although technological advances have led to increased cooling capacity and safer refrigerants, emissions from refrigeration systems can affect the environment by contributing to greenhouse gas emissions or by depleting the ozone layer, depending on the gas emitted. The focus is increasingly on adopting compounds that are both efficient at cooling and effective for reducing emissions and other adverse environmental impacts. Because of policy and regulatory changes to avert ozone depletion and global climate change, much discussion has centered on the environmental impacts of next-generation refrigerants. Of particular interest are the fluorinated refrigerants, HFCs and HFOs, most of which are defined as per- and polyfluoroalkyl substances (PFAS) and their breakdown products (especially trifluoroacetic acid). The US Environmental Protection Agency in 2021 drafted a Strategic Roadmap for PFAS, which has already resulted in an increase in investment in research on these compounds and has restricted the release of PFAS into the environment through the implementation of monitoring and reporting requirements. A critical evaluation of fluorinated refrigerants and their breakdown products with respect to persistence, biodegradation and toxicity, and global warming potential is needed to guide environmental regulations. This document aims to perform a critical review of the relevant scientific data on the most common refrigerants currently used, their degradation products, and their alternatives. Where available, estimates of precursor production quantities and existing environmental regulatory information are reviewed. Key data of interest for the evaluation include physicochemical properties, environmental fate parameters, ecological or human health toxicity/risk information, and GWP for compounds of interest.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Critical Literature Review of Low Global Warming Potential (GWP) Refrigerants and their Environmental Impact

Refrigeration and air conditioning currently account for ~20% of the total electricity consumption in buildings around the world. Over the next three decades as global temperatures are projected to increase, urbanization and economic growth will lead to an increased demand for refrigeration and cooling. Most commonly used refrigerants belong to the five following classes: (i) chlorofluorocarbons, (ii) hydrochlorofluorocarbons, (iii) hydrofluorocarbons (HFCs), (iv) hydrofluoroolefins (HFOs), and (v) natural refrigerants. Over the past century, there have been shifts in which compounds were used for refrigeration to improve safety and durability, allow for ozone protection, and, most recently, to reduce global warming potential (GWP). Although technological advances have led to increased cooling capacity and safer refrigerants, emissions from refrigeration systems can affect the environment by contributing to greenhouse gas emissions or by depleting the ozone layer, depending on the gas emitted. The focus is increasingly on adopting compounds that are both efficient at cooling and effective for reducing emissions and other adverse environmental impacts. Because of policy and regulatory changes to avert ozone depletion and global climate change, much discussion has centered on the environmental impacts of next-generation refrigerants. Of particular interest are the fluorinated refrigerants, HFCs and HFOs, most of which are defined as per- and polyfluoroalkyl substances (PFAS) and their breakdown products (especially trifluoroacetic acid). The US Environmental Protection Agency in 2021 drafted a Strategic Roadmap for PFAS, which has already resulted in an increase in investment in research on these compounds and has restricted the release of PFAS into the environment through the implementation of monitoring and reporting requirements. A critical evaluation of fluorinated refrigerants and their breakdown products with respect to persistence, biodegradation and toxicity, and global warming potential is needed to guide environmental regulations. This document aims to perform a critical review of the relevant scientific data on the most common refrigerants currently used, their degradation products, and their alternatives. Where available, estimates of precursor production quantities and existing environmental regulatory information are reviewed. Key data of interest for the evaluation include physicochemical properties, environmental fate parameters, ecological or human health toxicity/risk information, and GWP for compounds of interest.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

High Contagiousness and Rapid Spread of Severe Acute Respiratory Syndrome Coronavirus 2

Severe acute respiratory syndrome coronavirus 2 is the causative agent of the ongoing coronavirus disease pandemic. Initial estimates of the early dynamics of the outbreak in Wuhan, China, suggested a doubling time of the number of infected persons of 6–7 days and a basic reproductive number (R 0 ) of 2.2–2.7. We collected extensive individual case reports across China and estimated key epidemiologic parameters, including the incubation period (4.2 days). We then designed 2 mathematical modeling approaches to infer the outbreak dynamics in Wuhan by using high-resolution domestic travel and infection data. Results show that the doubling time early in the epidemic in Wuhan was 2.3–3.3 days. Assuming a serial interval of 6–9 days, we calculated a median R0 value of 5.7 (95% CI 3.8–8.9). Here, we further show that active surveillance, contact tracing, quarantine, and early strong social distancing efforts are needed to stop transmission of the virus.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Diagnosing nuclear power plant pipe wall thinning due to flow accelerated corrosion using a passive, thermal non-destructive evaluation method: Feasibility assessment via numerical experiments

Flow accelerated corrosion (FAC) in nuclear power plant pipes is one of the leading causes of accidents, fatalities, damage and outages. Current FAC identification methods employ expensive sensing technology and are “active” methods, where the response of the piping system to an externally-generated thermal, mechanical or optical excitation must be measured. As a result, these techniques require a disruptive and time-consuming setup. Here we propose a method that utilizes pipe surface temperature measurements to passively monitor for FAC-induced pipe wall thinning without the need for expensive equipment or post-installation setup time. This diagnostic method utilizes a simulation data-driven diagnostic model to estimate the amount of thickness reduction in a pipe based on changes in measured steady-state pipe temperatures. In order to reduce the computational burden of generating large, simulation-based datasets, the behavior of the insulation of the pipe was modeled using a suitably calibrated heat transfer boundary parameter. Additionally, global sensitivity analysis was performed to determine system parameter(s), such as the temperature of water flowing inside the pipe, which significantly affect the steady state pipe wall temperature and could cause errors in diagnosis. Two diagnostic models, one using only the change in steady-state temperature as an indicator for FAC-induced pipe wall thinning and the other using water temperature as an additional diagnostic model input were evaluated for their ability to estimate thickness reductions in a pipe using simulated pipe wall temperature data. For the numerical experiments conducted in this work, both models estimated wall thickness with errors within 0.5 mm, indicating that the proposed technique can potentially be used as a low-cost, first-pass method for FAC monitoring.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

KGML-ag: a modeling framework of knowledge-guided machine learning to simulate agroecosystems: a case study of estimating N<sub>2</sub>O emission using data from mesocosm experiments

Abstract. Agricultural nitrous oxide (N2O) emission accounts for a non-trivial fraction of global greenhouse gas (GHG) budget. To date, estimating N2O fluxes from cropland remains a challenging task because the related microbial processes (e.g., nitrification and denitrification) are controlled by complex interactions among climate, soil, plant and human activities. Existing approaches such as process-based (PB) models have well-known limitations due to insufficient representations of the processes or uncertainties of model parameters, and due to leverage recent advances in machine learning (ML) a new method is needed to unlock the “black box” to overcome its limitations such as low interpretability, out-of-sample failure and massive data demand. In this study, we developed a first-of-its-kind knowledge-guided machine learning model for agroecosystems (KGML-ag) by incorporating biogeophysical and chemical domain knowledge from an advanced PB model, ecosys, and tested it by comparing simulating daily N2O fluxes with real observed data from mesocosm experiments. The gated recurrent unit (GRU) was used as the basis to build the model structure. To optimize the model performance, we have investigated a range of ideas, including (1) using initial values of intermediate variables (IMVs) instead of time series as model input to reduce data demand; (2) building hierarchical structures to explicitly estimate IMVs for further N2O prediction; (3) using multi-task learning to balance the simultaneous training on multiple variables; and (4) pre-training with millions of synthetic data generated from ecosys and fine-tuning with mesocosm observations. Six other pure ML models were developed using the same mesocosm data to serve as the benchmark for the KGML-ag model. Results show that KGML-ag did an excellent job in reproducing the mesocosm N2O fluxes (overall r2=0.81, and RMSE=3.6 mgNm-2d-1 from cross validation). Importantly, KGML-ag always outperforms the PB model and ML models in predicting N2O fluxes, especially for complex temporal dynamics and emission peaks. Besides, KGML-ag goes beyond the pure ML models by providing more interpretable predictions as well as pinpointing desired new knowledge and data to further empower the current KGML-ag. We believe the KGML-ag development in this study will stimulate a new body of research on interpretable ML for biogeochemistry and other related geoscience processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Modeling gas–shell mixing in ICF with separated reactants

Mixing between fuel and shell materials in ICF implosions can affect implosion dynamics and even prevent ignition. We use data from a series of separated reactant experiments on the National Ignition Facility to calibrate and test the predictive power of gas–shell mix models. Two models are used to estimate fuel–shell mix: a Reynolds-averaged turbulence model and molecular diffusion. Minor uncertainties in capsule manufacture, experimental conditions, and values for mix model parameters produce significant variation in simulation results. Using input/output pairs from 1D simulations, we train Gaussian process surrogate models to predict experimental quantities of interest. The surrogates are used to construct posteriors for mix model parameters by marginalizing over uncertainties in capsule manufacture and experimental conditions. Mix models are calibrated with a subset of experimental data (neutron yields, ion temperature, and bang time) and tested using the remaining data. In general, both the diffusion and turbulence model correctly predict experimental DT and TT neutron yields. Despite having more free parameters, the turbulence model underpredicts ion temperature at high convergence ratio. Furthermore, the simpler diffusion model correctly predicts these temperatures, suggesting nonhydrodynamic gas–shell mix. The computational model consistently overpredicts DD neutron yield, indicating possible shortcomings outside of the mix model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

WE-AB-204-09: Respiratory Motion Correction in 4D-PET by Simultaneous Motion Estimation and Image Reconstruction (SMEIR)

Purpose: In conventional 4D-PET, images from different frames are reconstructed individually and aligned by registration methods. Two issues with these approaches are: 1) Reconstruction algorithms do not make full use of all projections statistics; and 2) Image registration between noisy images can Result in poor alignment. In this study we investigated the use of simultaneous motion estimation and image reconstruction (SMEIR) method for cone beam CT for motion estimation/correction in 4D-PET. Methods: Modified ordered-subset expectation maximization algorithm coupled with total variation minimization (OSEM- TV) is used to obtain a primary motion-compensated PET (pmc-PET) from all projection data using Demons derived deformation vector fields (DVFs) as initial. Motion model update is done to obtain an optimal set of DVFs between the pmc-PET and other phases by matching the forward projection of the deformed pmc-PET and measured projections of other phases. Using updated DVFs, OSEM- TV image reconstruction is repeated and new DVFs are estimated based on updated images. 4D XCAT phantom with typical FDG biodistribution and a 10mm diameter tumor was used to evaluate the performance of the SMEIR algorithm. Results: Image quality of 4D-PET is greatly improved by the SMEIR algorithm. When all projections are used to reconstruct a 3D-PET, motion blurring artifacts are present, leading to a more than 5 times overestimation of the tumor size and 54% tumor to lung contrast ratio underestimation. This error reduced to 37% and 20% for post reconstruction registration methods and SMEIR respectively. Conclusion: SMEIR method can be used for motion estimation/correction in 4D-PET. The statistics is greatly improved since all projection data are combined together to update the image. The performance of the SMEIR algorithm for 4D-PET is sensitive to smoothness control parameters in the DVF estimation step.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Approximating Photo- z PDFs for Large Surveys

Modern galaxy surveys produce redshift probability density functions (PDFs) in addition to traditional photometric redshift (photo-z) point estimates. However, the storage of photo-z PDFs may present a challenge with increasingly large catalogs, as we face a trade-off between the accuracy of subsequent science measurements and the limitation of finite storage resources. This work presents qp, a Python package for manipulating parameterizations of one-dimensional PDFs, as suitable for photo-z PDF compression. We use qp to investigate the performance of three simple PDF storage formats (quantiles, samples, and step functions) as a function of the number of stored parameters on two realistic mock data sets, representative of upcoming surveys with different data qualities. We propose some best practices for choosing a photo-z PDF approximation scheme and demonstrate the approach on a science case using performance metrics on both ensembles of individual photo-z PDFs and an estimator of the overall redshift distribution function. We show that both the properties of the set of PDFs we wish to approximate and the fidelity metric(s) chosen affect the optimal parameterization. Additionally, we find that quantiles and samples outperform step functions, and we encourage further consideration of these formats for PDF approximation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Dark Energy Survey Year 1 results: measurement of the galaxy angular power spectrum

We use data from the first-year observations of the DES collaboration to measure the galaxy angular power spectrum (APS), and search for its BAO feature. We test our methodology in a sample of 1800 DES Y1-like mock catalogues. We use the pseudo-C ℓ method to estimate the APS and the mock catalogues to estimate its covariance matrix. We use templates to model the measured spectra and estimate template parameters firstly from the C ℓ ’s of the mocks using two different methods, a maximum likelihood estimator and a Markov Chain Monte Carlo, finding consistent results with a good reduced χ 2 . Robustness tests are performed to estimate the impact of different choices of settings used in our analysis. Finally, we apply our method to a galaxy sample constructed from DES Y1 data specifically for LSS studies. This catalogue comprises galaxies within an effective area of 1318 deg 2 and 0.6 < z < 1.0. We find that the DES Y1 data favour a model with BAO at the 2.6σ C.L. However, the goodness of fit is somewhat poor, with χ 2 /(d.o.f.) = 1.49. We identify a possible cause showing that using a theoretical covariance matrix obtained from C ℓ ’s that are better adjusted to data results in an improved value of χ 2 /(dof) = 1.36 which is similar to the value obtained with the real-space analysis. Lastly, our results correspond to a distance measurement of D A (z eff = 0.81)/r d = 10.65 ± 0.49, consistent with the main DES BAO findings. This is a companion paper to the main DES BAO article showing the details of the harmonic space analysis.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Defender Policy Evaluation and Resource Allocation against MITRE ATT&CK Data and Evaluations

Protecting against multi-step attacks of uncertain duration and timing forces defenders into an indefinite, always ongoing, resource-intensive response. To effectively allocate resources, a defender must be able to analyze multi-step attacks under assumption of constantly allocating resources against an uncertain stream of potentially undetected attacks. To achieve this goal, we present a novel methodology that applies a game-theoretic approach to the attack, attacker, and defender data derived from MITRE´s ATT&CK ® Framework. Time to complete attack steps is drawn from a probability distribution determined by attacker and defender strategies and capabilities. This constraints attack success parameters and enables comparing different defender resource allocation strategies. By approximating attacker-defender games as Markov processes, we represent the attacker-defender interaction, estimate the attack success parameters, determine the effects of attacker and defender strategies, and maximize opportunities for defender strategy improvements against an uncertain stream of attacks. This novel representation and analysis of multi-step attacks enables defender policy optimization and resource allocation, which we illustrate using the data from MITRE´ s APT3 ATT&CK ® Framework.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Precision epoch of reionization studies with next-generation CMB experiments

Future arcminute resolution polarization data from ground-based Cosmic Microwave Background (CMB) observations can be used to estimate the contribution to the temperature power spectrum from the primary anisotropies and to uncover the signature of reionization near ℓ=1500 in the small angular-scale temperature measurements. Our projections are based on combining expected small-scale E-mode polarization measurements from Advanced ACTPol in the range 300<ℓ<3000 with simulated temperature data from the full Planck mission in the low and intermediate ℓ region, 2<ℓ<2000. We show that the six basic cosmological parameters determined from this combination of data will predict the underlying primordial temperature spectrum at high multipoles to better than 1% accuracy. Assuming an efficient cleaning from multi-frequency channels of most foregrounds in the temperature data, we investigate the sensitivity to the only residual secondary component, the kinematic Sunyaev-Zel'dovich (kSZ) term. The CMB polarization is used to break degeneracies between primordial and secondary terms present in temperature and, in effect, to remove from the temperature data all but the residual kSZ term. We estimate a 15σ detection of the diffuse homogeneous kSZ signal from expected AdvACT temperature data at ℓ>1500, leading to a measurement of the amplitude of matter density fluctuations, σ{sub 8}, at 1% precision. Alternatively, by exploring the reionization signal encoded in the patchy kSZ measurements, we bound the time and duration of the reionization with σ(z{sub re})=1.1 and σ(Δz{sub re})=0.2. We find that these constraints degrade rapidly with large beam sizes, which highlights the importance of arcminute-scale resolution for future CMB surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

On the applicability of surrogate-based Markov chain Monte Carlo-Bayesian inversion to the Community Land Model: Case studies at flux tower sites: SURROGATE-BASED MCMC FOR CLM

The Community Land Model (CLM) has been widely used in climate and Earth system modeling. Accurate estimation of model parameters is needed for reliable model simulations and predictions under current and future conditions, respectively. In our previous work, a subset of hydrological parameters has been identified to have significant impact on surface energy fluxes at selected flux tower sites based on parameter screening and sensitivity analysis, which indicate that the parameters could potentially be estimated from surface flux observations at the towers. To date, such estimates do not exist. In this paper, we assess the feasibility of applying a Bayesian model calibration technique to estimate CLM parameters at selected flux tower sites under various site conditions. The parameters are estimated as a joint probability density function (PDF) that provides estimates of uncertainty of the parameters being inverted, conditional on climatologically-average latent heat fluxes derived from observations. We find that the simulated mean latent heat fluxes from CLM using the calibrated parameters are generally improved at all sites when compared to those obtained with CLM simulations using default parameter sets. Further, our calibration method also results in credibility bounds around the simulated mean fluxes which bracket the measured data. The modes (or maximum a posteriori values) and 95% credibility intervals of the site-specific posterior PDFs are tabulated as suggested parameter values for each site. Analysis of relationships between the posterior PDFs and site conditions suggests that the parameter values are likely correlated with the plant functional type, which needs to be confirmed in future studies by extending the approach to more sites.

Huang, Maoyi↗
DOE OSTI2019

Novel stochastic methods to predict short-term solar radiation and photovoltaic power

Solar forecasting has evolved towards becoming a key component of economical realization of high penetration levels of photovoltaic (PV) systems. This paper presents two novel stochastic forecasting models for solar PV by utilizing historical measurement data to outline a short-term high-resolution probabilistic behavior of solar. First, an uncertain basis functions method is used to forecast both solar radiation and PV power. Three possible distributions are considered for the uncertain basis functions - Gaussian, Laplace, and Uniform distributions. Second, stochastic state-space models are applied to characterize the behaviors of solar radiation and PV power output. A filter-based expectation-maximization and Kalman filtering mechanism is employed to recursively estimate the system parameters and state variables. This enables the system to accurately forecast small as well as large fluctuations of the solar signals. The introduced forecasting models are suitable for real-time tertiary dispatch controllers and optimal power controllers. The PV forecasting models are tested using solar radiation and PV power measurement data collected from a 13.5 kW PV panel installed on the rooftop of our laboratory. Furthermore, the results are compared with standard time series forecasting mechanisms and show a substantial improvement in the forecasting accuracy of the total energy produced.

14 SOLAR ENERGY↗
DOE OSTI2020

Macro-physical Properties of Shallow Cumulus from Integrated ARM Observations (Final Report)

Fair-weather shallow cumuli (ShCu) play an important role in many climate-related processes. Irregular geometry of ShCu and their strong temporal and spatial variability make it challenging to observe ShCu holistically and to represent them correctly in climate models. To improve ShCu parameterizations, information on both vertically and horizontally resolved cloud properties is required. Commonly, the vertically resolved cloud properties are provided by zenith pointing lidar-radar observations with a very narrow field of view (FOV). Thus, these “pencil-beam” properties may not be representative of a larger surrounding area. Limited number of areal-averaged cloud properties, such as fractional sky cover (FSC), are offered typically by wide-FOV observations. The main goal of our project was to integrate advantages of the narrow-FOV (vertical structure of clouds) and wide-FOV (spatial arrangement of clouds) observations for an improved characterization of single-layer ShCu observed at the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site for an 18-yr period (2000-2017). There are four major accomplishments of our project, First, an updated operational cloud classification for days with ShCu has been suggested and evaluated through a detailed comparison with the manually curated records. Our classification extends successfully the latest ARM cloud type Value Added Product (VAP) based on the Active Remote Sensing of Clouds (ARSCL) cloud product by incorporating both cloud fraction (CF) provided by narrow-FOV ceilometer data and FSC from wide-FOV images offered by a Total Sky Imager (TSI). Moreover, our classification allows one to identify impact of instrumentation changes at the SGP site, namely the transition to KAZRARSCL with the updated cloud radar, on the identification of periods with single-layer ShCu. Second, a new approach that resolves cloud area distributions for a given region (up to 4x4 km 2 ) has been suggested and cloud equivalent diameters (CEDs) have been estimated for the first time. These estimations have been performed over a wide range of cloud sizes (about 0.01–3.5 km) with high temporal resolution (30s) using wide-FOV TSI images and cloud base height (CBH) provided by complementary narrow-FOV lidar measurements. Our simple and computationally inexpensive approach offers a previously unavailable dataset for process studies in the convective boundary layer and evaluation of ShCu parameterizations in cloud-resolving models. Third, a long-term integrated record of ShCu macrophysical properties has been developed. The developed record represents the longest available compilation of events with ShCu and includes (i) a novel visualization of the spatial variability in cloud cover both along- and across-wind directions, (ii) updated estimates of narrow-FOV CF and wide-FOV FSC, (iii) updated narrow-FOV CBH, and (iv) complementary data, such as wind speed and direction from the 915-MHz Radar Wind Profiler (RWP) data. The developed record has been used successfully to assess conventional observational estimates of cloud cover and their sensitivity to the following two factors: (i) instrument-dependent cloud detection and data merging criteria and (ii) FOV configuration. Fourth, co-variability of the ShCu macrophysical properties and environmental parameters has been analyzed for a 3-yr period (2016-2018). Our initial analysis includes diurnal changes of FSCs obtained for clouds with small, moderate and large CEDs and several environmental parameters, such as lifted condensation level (LCL) and mixed layer height (zi). Preliminary results of our analysis suggest that the horizontal extent of ShCu is controlled substantially by the sign and magnitude of difference between these two parameters (zi-LCL): the CED tends to grow with increase of this difference (zi exceeds LCL). We have initiated relationships between the ShCu and key atmospheric parameters that control both the development and evolution of ShCu using our new data product, which combines effectively the advantages of narrow-FOV data offered by zenith pointing cloud radars and lidars and wide-FOV TSI images. While the latest instrumentation at the ARM sites may address these challenging relationships in the future, we believe that the historical ARM data at the SGP site has not yet been fully utilized. Overall, our data product can be used by researchers working on a wide range of climate-related projects. These projects may include (i) a comprehensive evaluation of outputs from the Large-Eddy Simulation (LES) and single-column models for their future improvement, (ii) the representativeness of “short-period” results obtained from the previous model and observational studies and (iii) the planning of future field campaigns with focus on improved understanding of the diurnal cycle of cumulus convection.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Bootstrapping the 3d Ising model at finite temperature

We estimate thermal one-point functions in the 3d Ising CFT using the operator product expansion (OPE) and the Kubo-Martin-Schwinger (KMS) condition. Several operator dimensions and OPE coefficients of the theory are known from the numerical bootstrap for flat-space four-point functions. Taking this data as input, we use a thermal Lorentzian inversion formula to compute thermal one-point coefficients of the first few Regge trajectories in terms of a small number of unknown parameters. We approximately determine the unknown parameters by imposing the KMS condition on the two-point functions (σσ) and (ϵϵ). As a result, we estimate the one-point functions of the lowest-dimension $\mathbb{Z}_2$-even scalar ϵ and the stress energy tensor T μν . Our result for (σσ) at finite-temperature agrees with Monte-Carlo simulations within a few percent, inside the radius of convergence of the OPE.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

A cosmological exclusion plot: towards model-independent constraints on modified gravity from current and future growth rate data

Most cosmological constraints on modified gravity are obtained assuming that the cosmic evolution was standard ΛCDM in the past and that the present matter density and power spectrum normalization are the same as in a ΛCDM model. Here we examine how the constraints change when these assumptions are lifted. We focus in particular on the parameter Y (also called G{sub eff}) that quantifies the deviation from the Poisson equation. This parameter can be estimated by comparing with the model-independent growth rate quantity fσ{sub 8}(z) obtained through redshift distortions. We reduce the model dependency in evaluating Y by marginalizing over σ{sub 8} and over the initial conditions, and by absorbing the degenerate parameter Ω{sub m,0} into Y. We use all currently available values of fσ{sub 8}(z). We find that the combination Y-circumflex =YΩ{sub m,0}, assumed constant in the observed redshift range, can be constrained only very weakly by current data, Y-circumflex =0.28{sub −0.23}{sup +0.35} at 68% c.l. We also forecast the precision of a future estimation of Y-circumflex in a Euclid-like redshift survey. We find that the future constraints will reduce substantially the uncertainty, Y-circumflex =0.30{sub −0.09}{sup +0.08} , at 68% c.l., but the relative error on Y-circumflex around the fiducial remains quite high, of the order of 30%. The main reason for these weak constraints is that Y-circumflex is strongly degenerate with the initial conditions, so that large or small values of Y-circumflex are compensated by choosing non-standard initial values of the derivative of the matter density contrast. Finally, we produce a forecast of a cosmological exclusion plot on the Yukawa strength and range parameters, which complements similar plots on laboratory scales but explores scales and epochs reachable only with large-scale galaxy surveys. We find that future data can constrain the Yukawa strength to within 3% of the Newtonian one if the range is around a few Megaparsecs. In the particular case of f(R) models, we find that the Yukawa range will be constrained to be larger than 80 Mpc/h or smaller than 2 Mpc/h (95% c.l.), regardless of the specific f(R) model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

DREISS: Using State-Space Models to Infer the Dynamics of Gene Expression Driven by External and Internal Regulatory Networks

Gene expression is controlled by the combinatorial effects of regulatory factors from different biological subsystems such as general transcription factors (TFs), cellular growth factors and microRNAs. A subsystem’s gene expression may be controlled by its internal regulatory factors, exclusively, or by external subsystems, or by both. It is thus useful to distinguish the degree to which a subsystem is regulated internally or externally–e.g., how non-conserved, species-specific TFs affect the expression of conserved, cross-species genes during evolution. We developed a computational method (DREISS, dreiss.gerteinlab.org) for analyzing the Dynamics of gene expression driven by Regulatory networks, both External and Internal based on State Space models. Given a subsystem, the “state” and “control” in the model refer to its own (internal) and another subsystem’s (external) gene expression levels. The state at a given time is determined by the state and control at a previous time. Because typical time-series data do not have enough samples to fully estimate the model’s parameters, DREISS uses dimensionality reduction, and identifies canonical temporal expression trajectories (e.g., degradation, growth and oscillation) representing the regulatory effects emanating from various subsystems. To demonstrate capabilities of DREISS, we study the regulatory effects of evolutionarily conserved vs. divergent TFs across distant species. In particular, we applied DREISS to the time-series gene expression datasets of C. elegans and D. melanogaster during their embryonic development. We analyzed the expression dynamics of the conserved, orthologous genes (orthologs), seeing the degree to which these can be accounted for by orthologous (internal) versus species-specific (external) TFs. We found that between two species, the orthologs have matched, internally driven expression patterns but very different externally driven ones. This is particularly true for genes with evolutionarily ancient functions (e.g. the ribosomal proteins), in contrast to those with more recently evolved functions (e.g., cell-cell communication). This suggests that despite striking morphological differences, some fundamental embryonic-developmental processes are still controlled by ancient regulatory systems.

Biochemistry & Molecular Biology↗
DOE OSTI2021

On the estimation of boundary layer heights: a machine learning approach

Abstract. The planetary boundary layer height (zi) is a key parameter used in atmospheric models for estimating the exchange of heat, momentum, and moisture between the surface and the free troposphere. Near-surface atmospheric and subsurface properties (such as soil temperature, relative humidity, etc.) are known to have an impact on zi. Nevertheless, precise relationships between these surface properties and zi are less well known and not easily discernible from the multi-year dataset. Machine learning approaches, such as random forest (RF), which use a multi-regression framework, help to decipher some of the physical processes linking surface-based characteristics to zi. In this study, a 4-year dataset from 2016 to 2019 at the Southern Great Plains site is used to develop and test a machine learning framework for estimating zi. Parameters derived from Doppler lidars are used in combination with over 20 different surface meteorological measurements as inputs to a RF model. The model is trained using radiosonde-derived zi values spanning the period from 2016 through 2018 and then evaluated using data from 2019. Results from 2019 showed significantly better agreement with the radiosonde compared to estimates derived from a thresholding technique using Doppler lidars only. Noteworthy improvements in daytime zi estimates were observed using the RF model, with a 50 % improvement in mean absolute error and an R2 of greater than 85 % compared to the Tucker method zi. We also explore the effect of zi uncertainty on convective velocity scaling and present preliminary comparisons between the RF model and zi estimates derived from atmospheric models.

54 ENVIRONMENTAL SCIENCES↗