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Characterization of Partially Observed Epidemics - Application to COVID-19

This report documents a statistical method for the "real-time" characterization of partially observed epidemics. Observations consist of daily counts of symptomatic patients, diagnosed with the disease. Characterization, in this context, refers to estimation of epidemiological parameters that can be used to provide short-term forecasts of the ongoing epidemic, as well as to provide gross information for the time-dependent infection rate. The characterization problem is formulated as a Bayesian inverse problem, and is predicated on a model for the distribution of the incubation period. The model parameters are estimated as distributions using a Markov Chain Monte Carlo (MCMC) method, thus quantifying the uncertainty in the estimates. The method is applied to the COVID-19 pandemic of 2020, using data at the country, provincial (e.g., states) and regional (e.g. county) levels. The epidemiological model includes a stochastic component due to uncertainties in the incubation period. This model-form uncertainty is accommodated by a pseudo-marginal Metropolis-Hastings MCMC sampler, which produces posterior distributions that reflect this uncertainty. We approximate the discrepancy between the data and the epidemiological model using Gaussian and negative binomial error models; the latter was motivated by the over-dispersed count data. For small daily counts we find the performance of the calibrated models to be similar for the two error models. For large daily counts the negative-binomial approximation is numerically unstable unlike the Gaussian error model. Application of the model at the country level (for the United States, Germany, Italy, etc.) generally provided accurate forecasts, as the data consisted of large counts which suppressed the day-to-day variations in the observations. Further, the bulk of the data is sourced over the duration before the relaxation of the curbs on population mixing, and is not confounded by any discernible country-wide second wave of infections. At the state-level, where reporting was poor or which evinced few infections (e.g., New Mexico), the variance in the data posed some, though not insurmountable, difficulties, and forecasts were able to capture the data with large uncertainty bounds. The method was found to be sufficiently sensitive to discern the flattening of the infection and epidemic curve due to shelter-in-place orders after around 90% quantile for the incubation distribution (about 10 days for COVID-19). The proposed model was also used at a regional level to compare the forecasts for the central and north-west regions of New Mexico. Modeling the data for these regions illustrated different disease spread dynamics captured by the model. While in the central region the daily counts peaked in the late April, in the north-west region the ramp-up continued for approximately three more weeks.

59 BASIC BIOLOGICAL SCIENCES↗

Analysis of Unpolarised p+p¿ Photoproduction with the GlueX Experiment

This thesis presents measurements of spin-density matrix elements in unpolarised p+p? photoproduction on a proton target. The dominant resonance contribution to the dipion system is the r(770) meson. Due to the large production cross section for this resonance, a valid comparison can be made between the obtained final results and r(770) spin-density matrix elements measured previously with other experiments. The measurement was performed over the 3:0 ? 11:6 GeV beam energy regime, which is a more extensive energy range than has ever been studied previously for the r(770). Results were obtained by analysing data from the GlueX experiment based at Jefferson Lab. Extended maximum likelihood fits were applied to extract three spin-density matrix elements using Markov chain Monte Carlo based parameter estimations. This was performed using various binning configurations to probe the energy, mass, and four-momentum transfer dependence of the determined physics observables. Spin-density matrix elements are shown to be consistent with the model of s-channel helicity conservation at low ?t. The effects of pomeron and f2 exchanges are clearly visible in the energy dependence of the measured observables. These observations provide valuable insights into the relative strengths of both processes as a function of the photon energy, and may enable theorists to disentangle the f2=P coupling ratio. Spin-density matrix elements are seen to be highly dependent on the reconstructed resonance mass. This observation is likely to be a result of non-resonant S-wave background processes, and emphasises the need for a more detailed model of the p+p? angular distribution that considers all of the competing angular momentum components that contribute to the measured final state. The statistical precision of measurements performed for this thesis surpass what was achievable in previous studies of the r(770) by several orders of magnitude. Studies of the energy and four-momentum transfer dependence, and insights into the effects of non r(770) background contributions provide valuable input for production models. This will help inform the choice of wave-sets used for partial wave analyses, supporting GlueX in its search for exotic hybrid meson states.

Fitches, James↗

Uncertainty Quantification with MCMC method and BFBT Data

The reliability of predictions of the system codes is closely related to the validation of their physical models. For example, the accuracy of void fraction prediction in a Boiling Water Reactor (BWR) using TRACE code depends on the uncertainties of closure relations developed for the two-phase flow models. This work focus on quantifying the uncertainties of two physical models, interfacial drag model and subcooled boiling model, using Markov Chain Monte Carlo (MCMC) method and BFBT experimental benchmark data. We applied the MCMC and MLE algorithms to BFBT benchmark data and estimated the uncertainty distribution of two model parameters: subcooled boiling heat transfer coefficient and interfacial drag (bubbly/slug rod bundle) coefficient. These algorithms tend to give various estimation results. Despite the differences in these algorithms, we find that the estimation results are consistent. After obtaining the uncertainty estimates, we validated the uncertainty estimates by applying the estimated distributions of model parameters to TRACE prediction. The new predictions succeed in reducing the void fraction prediction error, but it is not possible to eliminate all prediction error. We are only adjusting two model parameters, and there exists uncertainties in all model parameters. Application of the algorithms to other physical models and experimental data will be helpful for future work. (authors)

42 ENGINEERING↗

Stochastic Richardson Extrapolation Based Numerical Error Estimation for Kinetic Plasma Simulations

We present a numerical error estimation technique specifically formulated to deal with stochastic code output with multiple discretization parameters. This method is based on multiple fits to an error model with arbitrary convergence rates and cross-coupling terms, performed using nonlinear optimization. The fitting approach varies by the type of residual norm which influences the importance of outliers, and weights which influences the relative importance of data points in the coarse and refined regions of discretization parameter space. To account for the influence of stochastic noise, these fits are performed on multiple bootstrap values based on the underlying response data set. Using an automated discretization domain selection scheme, the fits are performed on a series of reduced sets of discretization levels in order to find an optimal fully-converged result estimate in the minimum variance sense; this automated approach enables straightforward analysis of multiple quantities of interest and/or time and spatially-dependent response data. The overall numerical error analysis method is useful for verification and validation problems for stochastic simulation methods and forms a key component in the overall uncertainty quantification process. The method was demonstrated for steady and unsteady electron diode problems simulated using a particle-in-cell kinetic plasma code, demonstrating excellent results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Bandgap and optical absorption edge of GaAs{sub 1−x}Bi{sub x} alloys with 0 < x < 17.8%

The compositional dependence of the fundamental bandgap of pseudomorphic GaAs{sub 1−x}Bi{sub x} layers on GaAs substrates is studied at room temperature by optical transmission and photoluminescence spectroscopies. All GaAs{sub 1−x}Bi{sub x} films (0 ≤ x ≤ 17.8%) show direct optical bandgaps, which decrease with increasing Bi content, closely following density functional theory predictions. The smallest measured bandgap is 0.52 eV (∼2.4 μm) at 17.8% Bi. Extrapolating a fit to the data, the GaAs{sub 1−x}Bi{sub x} bandgap is predicted to reach 0 eV at 35% Bi. Below the GaAs{sub 1−x}Bi{sub x} bandgap, exponential absorption band tails are observed with Urbach energies 3–6 times larger than that of bulk GaAs. The Urbach parameter increases with Bi content up to 5.5% Bi, and remains constant at higher concentrations. The lattice constant and Bi content of GaAs{sub 1−x}Bi{sub x} layers (0 < x ≤ 19.4%) are studied using high resolution x-ray diffraction and Rutherford backscattering spectroscopy. The relaxed lattice constant of hypothetical zincblende GaBi is estimated to be 6.33 ± 0.05 Å, from extrapolation of the Rutherford backscattering spectrometry and x-ray diffraction data.

36 MATERIALS SCIENCE↗

Dynamic Parameter Estimation with Physics-based Neural Ordinary Differential Equations

Accurate estimation of dynamic parameters of gen-erators is crucial to building a reliable model for dynamical studies and reliable operation of the power system. This paper develops a physics-based neural ordinary differential equations (ODE) approach to learn the parameters of generator dynamic model using phasor measurement units (PMU) data. We design a physics-based neural network to represent the swing equations of the power system dynamics. A loss function is defined as the difference between dynamic simulation results from the physics-based neural networks and pseudo PMU measurements. The parameters of generator dynamic model are iteratively updated using the neural ODEs and the adjoint method. By exploiting the mini-batch scheme in neural ODE training, the parameter estimation performance is significantly improved. Numerical study results on a 3-machine 9-bus system show that the proposed algorithm outperforms state-of-the-art baseline method in both computation time and dynamic parameter estimation accuracy.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Semi-automated Design of Artificial Intelligence Earth Systems Models

Prediction and observation of water cycles at various scales involve not only patterns isolated in space and time, but also modeling of complex spatio-temporal relationships across multiple domains. For instance, evapotranspiration (ET) and leaf area indexes (LAI) are two parameters that are needed to accurately model and understand land-atmosphere processes. Accurate assessments of ET and LAI are critical for understanding hydrological processes, deforestation, crop yield, and irrigation impacts. However, ET estimates for global simulations are available at very coarse spatial resolution. They are usually derived from satellite data based on broad plant functional types (PFTs), which fail to capture fine-scale variations because of changes in vegetation type across the globe. Similarly LAI estimates have typically been derived from vegetation indices at global scales or estimated locally using physical models, both of which suffer from a range of uncertainties that impact model sensitivity. The new era of AI model development for Earth systems (ES) calls for data-driven methods that provide domain scientists with uncertainty-aware estimations of biophysical parameters such as ET and LAI in a generalizable, interpretable, and discoverable manner.

54 ENVIRONMENTAL SCIENCES↗

Development and validation of chemistry agnostic flow battery cost performance model and application to nonaqueous electrolyte systems: Chemistry agnostic flow battery cost performance model

A chemistry agnostic cost performance model is described for a nonaqueous flow battery. The model predicts flow battery performance by estimating the active reaction zone thickness at each electrode as a function of current density, state of charge, and flow rate using measured data for electrode kinetics, electrolyte conductivity, and electrode-specific surface area. Validation of the model is conducted using a 4kW stack data at various current densities and flow rates. This model is used to estimate the performance of a nonaqueous flow battery with electrode and electrolyte properties used from the literature. The optimized cost for this system is estimated for various power and energy levels using component costs provided by vendors. The model allows optimization of design parameters such as electrode thickness, area, flow path design, and operating parameters such as power density, flow rate, and operating SOC range for various application duty cycles. A parametric analysis is done to identify components and electrode/electrolyte properties with the highest impact on system cost for various application durations. A pathway to 100$kWh -1 for the storage system is identified.

25 ENERGY STORAGE↗

Synergistic data analytics for electromechanical oscillation in electric power systems

Accurate real-time estimation of the four electromechanical oscillation properties, i.e., dominant oscillation modes, mode shapes, participation factors, and coherent groups, is of great importance to assess and mitigate potential electromechanical oscillations in interconnected power systems. While eigenvalue analysis can realize such estimation, it requires precise linearized dynamic models and accurate parameters, which are highly difficult to obtain in practice. Data fusion-based modal estimation methods can extract the properties of electromechanical oscillations from measurement data without the power system model and parameters, but most of the time only one or two property assessments can be accomplished each time. To overcome this challenge, this paper presents a synergistic data analytics solution to characterize the dynamic behaviors of electromechanical oscillations from real-time measurement data. Here, the proposed method uses optimized variable projection, and it is capable of estimating all four electromechanical oscillation behavior properties from measured responses. Case studies are performed using the simulated measurement data of a 16-generator 68-bus test system and the field measurements collected by the PMUs deployed in the Yunnan Power Grid. The results demonstrate that the proposed synergistic data analytics solution can achieve satisfactory performance in capturing the properties of electromechanical oscillations from measurement data and exhibit strong robustness against measurement noise when compared with existing measurement-based methods.

42 ENGINEERING↗

Data-Driven Robust M-LS-SVR-Based NARX Modeling for Estimation and Control of Molten Iron Quality Indices in Blast Furnace Ironmaking

Optimal operation of an industrial blast furnace (BF) ironmaking process largely depends on a reliable measurement of molten iron quality (MIQ), which is not feasible using the conventional sensors. This paper proposes a novel data-driven robust modeling method for online estimation and control of MIQ indices. First, to completely capture the nonlinear dynamics of the BF process, the nonlinear autoregressive exogenous (NARX) model is constructed for the MIQ indices. Then, considering that the standard least-squares support vector regression (LS-SVR) cannot directly cope with the multi-output problem, the multi- task transfer learning is proposed to design a novel multi-output LS-SVR (M-LS-SVR) for learning of the NARX model. Furthermore, a novel M-estimator is proposed to reduce the interference of outliers and improve the robustness of the M-LS- SVR model. Since the weights of different outlier data are properly given by the weight function, their corresponding contributions on modeling can be properly distinguished, thus a robust modeling result can be achieved. Finally, a novel multi- objective evaluation index on modeling performance is developed by comprehensively considering the root mean square error of modeling and the correlation coefficient on trend fitting, based on which the NSGA-II algorithm is used to globally optimize the model parameters. Both experiments using industrial data and industrial applications illustrate that the proposed method can eliminate the adverse effect caused by the fluctuation of data in BF process efficiently, which indicates its stronger robustness and higher accuracy. Moreover, control testing shows that the developed model can be well applied to realize data-driven control of the BF process.

blast cavities, Control↗

Cloud condensation nuclei activity of internally mixed particle populations at a remote marine free troposphere site in the North Atlantic Ocean

Here, this study reports results from research conducted at the Observatory of Mount Pico (OMP), 2225 m above mean sea level on Pico Island in the Azores archipelago in June and July 2017. We investigated the chemical composition, mixing state, and cloud condensation nuclei (CCN) activities of long-range transported free tropospheric (FT) particles. FLEXible PARTicle Lagrangian particle dispersion model (FLEXPART) simulations reveal that most air masses that arrived at the OMP during the sampling period originated in North America and were highly aged (average plume age > 10 days). We probed size-resolved chemical composition, mixing state, and hygroscopicity parameter ($\mathcal{κ}$) of individual particles using computer-controlled scanning electron microscopy with an energy-dispersive X-ray spectrometer (CCSEM-EDX). Based on the estimated individual particle mass from elemental composition, we calculated the mixing state index, $χ$. During our study, FT particle populations were internally mixed ($χ$ of samples are between 53% and 87%), owing to the long atmospheric aging time. We used data from a miniature Cloud Condensation Nucleus Counter (miniCCNC) to derive the hygroscopicity parameter, $\mathcal{κ}$ CCNC . Combining $\mathcal{κ}$ CCNC and FLEXPART, we found that air masses recirculated above the North Atlantic Ocean with lower mean altitude had higher $\mathcal{κ}$ CCNC due to the higher contribution of sea salt particles. We used CCSEM-EDX and phase state measurements to predict single-particle $\mathcal{κ}$ ($\mathcal{κ}$ CCSEM-EDX ) values, which overlap with the lower range of $\mathcal{κ}$ CCNC measured below 0.15 % SS. Therefore, CCSEM-EDX measurements can be useful in predicting the lower bound of $\mathcal{κ}$, which can be used in climate models to predict CCN activities, especially in remote locations where online CCN measurements are unavailable.

54 ENVIRONMENTAL SCIENCES↗

Cosmological parameter estimation with a joint-likelihood analysis of the cosmic microwave background and big bang nucleosynthesis

Here, we present a joint-likelihood analysis of big bang nucleosynthesis (BBN) and cosmic microwave background (CMB) data, consistently combining likelihoods and taking into account uncertainties in nuclear reaction rates for the first time. Bayesian inference is performed on the baryon abundance and the effective number of neutrino species, 𝑁 eff , using a CMB Boltzmann solver in combination with LINX , a new flexible and efficient BBN code. We marginalize over Planck nuisance parameters and nuclear rates to find 𝑁 eff =3.0⁢8$^{+0.15}_{−0.14}$, 2.9⁢4$^{+0.16}_{−0.15}$, or 2.96$^{+0.13}_{−0.14}$, for three separate reaction networks. This framework enables robust testing of the lambda cold dark matter paradigm and its variants with CMB and BBN data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Global ocean dimethyl sulfide climatology estimated from observations and an artificial neural network

Marine dimethyl sulfide (DMS) is important to climate due to the ability of DMS to alter Earth's radiation budget. Knowledge of the global-scale distribution, seasonal variability, and sea-to-air flux of DMS is needed in order to improve understanding of atmospheric sulfur, aerosol/cloud dynamics, and albedo. Here we examine the use of an artificial neural network (ANN) to extrapolate available DMS measurements to the global ocean and produce a global climatology with monthly temporal resolution. A global database of 82 996 ship-based DMS measurements in surface waters was used along with a suite of environmental parameters consisting of latitude–longitude coordinates, time of day, time of year, solar radiation, mixed layer depth, sea surface temperature, salinity, nitrate, phosphate, and silicate. Linear regressions of DMS against the environmental parameters show that on a global-scale mixed layer depth and solar radiation are the strongest predictors of DMS. These parameters capture ~9 % and ~7 % of the raw DMS data variance, respectively. Multilinear regression can capture more of the raw data variance (~39 %) but strongly underestimates DMS in high-concentration regions. In contrast, the artificial neural network captures ~66 % of the raw data variance in our database. Like prior climatologies our results show a strong seasonal cycle in surface ocean DMS with the highest concentrations and sea-to-air fluxes in the high-latitude summertime oceans. We estimate a lower global sea-to-air DMS flux (20.12±0.43 Tg S yr –1 ) than the prior estimate based on a map interpolation method when the same gas transfer velocity parameterization is used. Our sensitivity test results show that DMS concentration does not change unidirectionally with each of the environmental parameters, which emphasizes the interactions among these parameters. The ANN model suggests that the flux of DMS from the ocean to the atmosphere will increase with global warming. Given that larger DMS fluxes induce greater cloud albedo, this corresponds to a negative climate feedback.

54 ENVIRONMENTAL SCIENCES↗

Analysis of broad-lined Type Ic supernovae from the (intermediate) Palomar Transient Factory

Here, we study 34 Type Ic supernovae that have broad spectral features (SNe Ic-BL). This is the only SN type found in association with long-duration gamma-ray bursts (GRBs). We obtained our photometric data with the Palomar Transient Factory (PTF) and its continuation, the intermediate PTF (iPTF). This is the first large, homogeneous sample of SNe Ic-BL from an untargeted survey. Furthermore, given the high observational cadence of iPTF, most of these SNe Ic-BL were discovered soon after explosion. We present K-corrected Bgriz light curves of these SNe, obtained through photometry on template-subtracted images. We analyzed the shape of the r-band light curves, finding a correlation between the decline parameter Δm 15 and the rise parameter Δm -10 . We studied the SN colors and, based on g-r, we estimated the host-galaxy extinction for each event. Peak r-band absolute magnitudes have an average of -18.6 ± 0.5 mag. We fit each r-band light curve with that of SN 1998bw (scaled and stretched) to derive the explosion epochs. We computed the bolometric light curves using bolometric corrections, r-band data, and g-r colors. Expansion velocities from Fe II were obtained by fitting spectral templates of SNe Ic. Bolometric light curves and velocities at peak were fitted using the semianalytic Arnett model to estimate ejecta mass Mej, explosion energy E K and 56Ni mass M(56Ni) for each SN. We find average values of M ej = 4 ± 3 M ⊙ , E K = (7 ± 6)×10 51 erg, and M( 56 Ni)=0.31 ± 0.16 M ⊙ . The parameter distributions were compared to those presented in the literature and are overall in agreement with them. We also estimated the degree of 56 Ni mixing using scaling relations derived from hydrodynamical models and we find that all the SNe are strongly mixed. The derived explosion parameters imply that at least 21% of the progenitors of SNe Ic-BL are compatible with massive (> 28 M ⊙ ), possibly single stars, whereas at least 64% might come from less massive stars in close binary systems.

79 ASTRONOMY AND ASTROPHYSICS↗

Development and Validation of a Lifecycle-based Prognostics Architecture with Test Bed Validation

On-line monitoring and tracking of nuclear plant system and component degradation is being investigated as a method for improving the safety, reliability, and maintainability of aging nuclear power plants. Accurate prediction of the current degradation state of system components and structures is important for accurate estimates of their remaining useful life (RUL). The correct quantification and propagation of both the measurement uncertainty and model uncertainty is necessary for quantifying the uncertainty of the RUL prediction. This research project developed and validated methods to perform RUL estimation throughout the lifecycle of plant components. Prognostic methods should seamlessly operate from beginning of component life (BOL) to end of component life (EOL). We term this "Lifecycle Prognostics." When a component is put into use, the only information available may be past failure times of similar components used in similar conditions, and the predicted failure distribution can be estimated with reliability methods such as Weibull Analysis (Type I Prognostics). As the component operates, it begins to degrade and consume its available life. This life consumption may be a function of system stresses, and the failure distribution should be updated to account for the system operational stress levels (Type II Prognostics). When degradation becomes apparent, this information can be used to again improve the RUL estimate (Type III Prognostics). This research focused on developing prognostics algorithms for the three types of prognostics, developing uncertainty quantification methods for each of the algorithms, and, most importantly, developing a framework using Bayesian methods to transition between prognostic model types and update failure distribution estimates as new information becomes available. The developed methods were then validated on a range of accelerated degradation test beds. The ultimate goal of prognostics is to provide an accurate assessment for RUL predictions, with as little uncertainty as possible. From a reliability and maintenance standpoint, there would be improved safety by avoiding all failures. Calculated risk would decrease, saving money by avoiding unnecessary maintenance. One major bottleneck for data-driven prognostics is the availability of run-to-failure degradation data. Without enough degradation data leading to failure, prognostic models can yield RUL distributions with large uncertainty or mathematically unsound predictions. To address these issues a "Lifecycle Prognostics" method was developed to create RUL distributions from Beginning of Life (BOL) to End of Life (EOL). This employs established Type I, II, and III prognostic methods, and Bayesian transitioning between each Type. Bayesian methods, as opposed to classical frequency statistics, show how an expected value, a priori, changes with new data to form a posterior distribution. For example, when you purchase a component you have a prior belief, or estimation, of how long it will operate before failing. As you operate it, you may collect information related to its condition that will allow you to update your estimated failure time. Bayesian methods are best used when limited data are available. The use of a prior also means that information is conserved when new data are available. The weightings of the prior belief and information contained in the sampled data are dependent on the variance (uncertainty) of the prior, the variance (uncertainty) of the data, and the amount of measured data (number of samples). If the variance of the prior is small compared to the uncertainty of the data, the prior will be weighed more heavily. However, as more data are collected, the data will be weighted more heavily and will eventually swamp out the prior in calculating the posterior distribution of model parameters. Fundamentally Bayesian analysis updates a prior belief with new data to get a posterior belief. The general approach to applying the Bayesian method to lifecycle prognostics consisted of identifying the prior, which is the RUL estimate and uncertainty from the previous prognostics type, and combining it with observational data related to the newer prognostics type. The resulting lifecycle prognostics algorithm uses all available information throughout the component lifecycle.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

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↗

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↗

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↗