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At least 415 records · Page 23

Weighted greedy-optimal design of computer experiments for kernel-based and Gaussian process model emulation and calibration

This article is concerned with the approximation of high-dimensional functions by kernel-based methods. Motivated by uncertainty quantification, which often necessitates the construction of approximations that are accurate with respect to a probability density function of random variables, we aim at minimizing the approximation error with respect to a weighted $L^p$-norm. We present a greedy procedure for designing computer experiments based upon a weighted modification of the pivoted Cholesky factorization. The method successively generates nested samples with the goal of minimizing error in regions of high probability. Numerical experiments validate that this new importance sampling strategy is superior to other sampling approaches, especially when used with non-product probability density functions. We also show how to use the proposed algorithm to efficiently generate surrogates for inferring unknown model parameters from data.

97 MATHEMATICS AND COMPUTING↗

Misleading or Falsification? Inferring Deceptive Strategies and Types in Online News and Social Media

Deceptive information in online news and social media has had dramatic effect on our society in recent years. This study is the first to gain deeper insights into writers' intent behind digital misinformation by analyzing psycholinguistic signals: moral foundations and connotations extracted from different types of deceptive news ranging from strategic disinformation to propaganda and hoaxes. To ensure consistency of our findings and generalizability across domains, we experiment with data from: (1) confirmed cases of disinformation in news summaries, (2) {propaganda}, hoax, and disinformation news pages, and (3) social media news. We first contrast lexical markers of biased language, syntactic and stylistic signals, and connotations across deceptive news types including disinformation, propaganda, and hoaxes, and {deceptive} strategies including misleading or falsification. We then incorporate these insights to build machine learning and deep learning predictive models to infer deception strategies and deceptive news types. Our experimental results demonstrate that unlike earlier work on deception detection, content combined with biased language markers, moral foundations, and connotations leads to better predictive performance of deception strategies compared to syntactic and stylistic signals (as reported in earlier work on deceptive reviews). Falsification strategy is easier to identify than misleading strategy. Disinformation is more difficult to predict than to propaganda or hoaxes. Deceptive news types (disinformation, propaganda, and hoaxes), unlike deceptive strategies (falsification and misleading), are more salient, and thus easier to identify in tweets than in news reports. Finally, our novel connotation analysis across deception types provides deeper understanding of writers' perspectives and therefore reveals the intentions behind digital misinformation.

deception↗

Organic matter sulfurization and organic carbon burial in the Mesoproterozoic

Throughout the Proterozoic Era, sedimentary organic carbon burial helped set the pace of global oxygenation and acted as a major modulator of atmospheric CO 2 and climate. Although Proterozoic rocks generally contain low concentrations of organic matter (OM), there are key exceptions to this rule, including the relatively OM-rich Arctic Bay shales from Baffin Island, Canada (Bylot Supergroup, Borden Basin, ~1.05 Ga). The mechanisms driving elevated OM concentrations in these and other Proterozoic shales remain poorly understood. In the Mesozoic and Cenozoic, organic matter sulfurization can be a major driver of enhanced OM burial across a range of redox conditions comparable to those inferred for many Proterozoic environments. Therefore, in this study, we evaluate the role of sulfurization in driving OM preservation in the Mesoproterozoic Borden Basin and discuss its relevance to Proterozoic systems in general. We present the first evidence for syngenetic-to-early-diagenetic OM sulfurization in a Proterozoic basin, which begins to fill a several-billion-year gap in our record of organic S across Earth history. We find that OM sulfurization was particularly extensive in shales from a relatively shallow-water section (Alpha River) but less extensive in shales deposited in deeper water (Shale Valley), which is consistent with models that infer sulfidic ‘wedges’ or O 2 -minimum-zone-type structures on shelf margins at least intermittently at this time. At the shallower site, organic S and pyrite are similarly 34 S-depleted and thus likely formed at roughly the same time near the sediment–water interface under conditions previously interpreted to have been ferruginous to intermittently sulfidic. In contrast, at the deeper-water site, large S-isotope differences between pyrite and organic S along with low apparent OM sulfurization intensities indicate that pyrite formation was favored over OM sulfurization during early sedimentation under variable but primarily ferruginous conditions. Although Mesoproterozoic biomass can be substantially sulfurized, indicators of sulfurization intensity are not correlated with OM concentrations, and therefore sulfurization does not appear to have been the primary driver of enhanced OM concentrations in Arctic Bay Formation shales. The link between sulfurization and total OM preservation may have been modulated during the deposition of Arctic Bay Formation shales by differences in iron availability, nutrient cycling, and particle dynamics in the Mesoproterozoic.

58 GEOSCIENCES↗

Data free inference with processed data products

Here, we consider the context of probabilistic inference of model parameters given error bars or confidence intervals on model output values, when the data is unavailable. We introduce a class of algorithms in a Bayesian framework, relying on maximum entropy arguments and approximate Bayesian computation methods, to generate consistent data with the given summary statistics. Once we obtain consistent data sets, we pool the respective posteriors, to arrive at a single, averaged density on the parameters. This approach allows us to perform accurate forward uncertainty propagation consistent with the reported statistics.

97 MATHEMATICS AND COMPUTING↗

Cannabis monoterpene synthases: evaluating structure–function relationships

Terpene synthases catalyze the first committed step in the biosynthesis of terpenes, a structurally diverse class of natural products that also encompasses volatiles derived from precursors in the C10 to C15 range (termed monoterpenes and sesquiterpenes, respectively). In the review section of this article, we are providing information about all functionally characterized monoterpene synthases (MTSs) and sesquiterpene synthases (STSs) of Cannabis sativa L. We are also exploring the locations of MTSs and STSs in the chromosome-level assembly of the reference chemovar CBDRx. A follow-up computational structure–function analysis focuses on MTSs, as there is already a rich literature available on the topic. More specifically, by employing sequence comparisons and homology structural modeling, we infer which amino acid residues are likely to constrain the available space in the active site of cannabis MTSs. The emphasis of these studies was to investigate why some MTSs accept only a C10 diphosphate as substrate, while mixed MTS/STS enzymes also accommodate a C15 diphosphate. Here, by combining a literature review and computational analyses in a hybrid format, we are laying the foundation for future studies to better understand the determinants of substrate and product specificity in these fascinating enzymes.

59 BASIC BIOLOGICAL SCIENCES↗

Mixture Model Framework for Traumatic Brain Injury Prognosis Using Heterogeneous Clinical and Outcome Data

Prognoses of Traumatic Brain Injury (TBI) outcomes are neither easily nor accurately determined from clinical indicators. This is due in part to the heterogeneity of damage inflicted to the brain, ultimately resulting in diverse and complex outcomes. Using a data-driven approach on many distinct data elements may be necessary to describe this large set of outcomes and thereby robustly depict the nuanced differences among TBI patients’ recovery. In this work, we develop a method for modeling large heterogeneous data types relevant to TBI. Our approach is geared toward the probabilistic representation of mixed continuous and discrete variables with missing values. The model is trained on a dataset encompassing a variety of data types, including demographics, blood-based biomarkers, and imaging findings. In addition, it includes a set of clinical outcome assessments at 3, 6, and 12 months post-injury. The model is used to stratify patients into distinct groups in an unsupervised learning setting. We use the model to infer outcomes using input data, and show that the collection of input data reduces uncertainty of outcomes over a baseline approach. In addition, we quantify the performance of a likelihood scoring technique that can be used to self-evaluate the extrapolation risk of prognosis on unseen patients.

97 MATHEMATICS AND COMPUTING↗

Bayesian Inference and the Effects of Varying Uncertainty Models in Charring Ablator Calibration and Uncertainty Quantification Problems

The Mars Science Laboratory (MSL) vehicle utilized a heat shield constructed from NASA’s Phenolic-Impregnated Carbon Ablator (PICA) material to protect the main structure from the high enthalpy environment encountered during hypersonic atmospheric entry. During the vehicle’s descent through Martian atmosphere, multiple thermocouples embedded within the heat shield captured in-depth material temperature data that allow for studies to be conducted on current material response reconstruction tools. In the present work, material temperature data obtained from thermocouples within the MISP-4 plug (MEDLI (Mars Science Laboratory Entry, Descent, and Landing Instrument) Integrated Sensor Plug) are utilized in the calibration of Theoretical Ablative Composite for Open Testing (TACOT) model parameters in conjunction with NASA’s Porous material Analysis Toolbox (PATO) through Bayesian inference where uncertainty due to parametric, modeling, and experimental sources is simultaneously quantified. Prior to the study, a sensitivity analysis is performed through computation of the robust Sobol indices in an effort to study the relationship between input space and model response and to reduce the dimensionality of the statistical inverse problem. The Bayesian inference methodology necessitates an a-priori choice to be made for the uncertainty model for which numerous possibilities are available. Across most works, however, only basic additive or multiplicative models are utilized with pre-defined magnitudes of uncertainty based on a-priori knowledge or to-be-calibrated multipliers of static covariance matrix structures. The present effort explores the effects of informed uncertainty models, ones with temporal dependence that are simultaneously calibrated through Bayesian inference, on calibrated results for parameters that make up the uncertain input space.

Sensitivity Analysis↗

IMAGING THE INNER AND OUTER GAPS OF THE PRE-TRANSITIONAL DISK OF HD 169142 AT 7 mm

We present Very Large Array observations at 7 mm that trace the thermal emission of large dust grains in the HD 169142 protoplanetary disk. Our images show a ring of enhanced emission of radius ∼25-30 AU, whose inner region is devoid of detectable 7 mm emission. We interpret this ring as tracing the rim of an inner cavity or gap, possibly created by a planet or a substellar companion. The ring appears asymmetric, with the western part significantly brighter than the eastern one. This azimuthal asymmetry is reminiscent of the lopsided structures that are expected to be produced as a consequence of trapping of large dust grains. Our observations also reveal an outer annular gap at radii from ∼40 to ∼70 AU. Unlike other sources, the radii of the inner cavity, the ring, and the outer gap observed in the 7 mm images, which trace preferentially the distribution of large (millimeter/centimeter sized) dust grains, coincide with those obtained from a previous near-infrared polarimetric image, which traces scattered light from small (micron-sized) dust grains. We model the broadband spectral energy distribution and the 7 mm images to constrain the disk physical structure. From this modeling we infer the presence of a small (radius ∼0.6 AU) residual disk inside the central cavity, indicating that the HD 169142 disk is a pre-transitional disk. The distribution of dust in three annuli with gaps in between them suggests that the disk in HD 169142 is being disrupted by at least two planets or substellar objects.

79 ASTRONOMY AND ASTROPHYSICS↗

Obscuration-dependent evolution of active galactic nuclei

We aim to constrain the evolution of active galactic nuclei (AGNs) as a function of obscuration using an X-ray-selected sample of ∼2000 AGNs from a multi-tiered survey including the CDFS, AEGIS-XD, COSMOS, and XMM-XXL fields. The spectra of individual X-ray sources are analyzed using a Bayesian methodology with a physically realistic model to infer the posterior distribution of the hydrogen column density and intrinsic X-ray luminosity. We develop a novel non-parametric method that allows us to robustly infer the distribution of the AGN population in X-ray luminosity, redshift, and obscuring column density, relying only on minimal smoothness assumptions. Our analysis properly incorporates uncertainties from low count spectra, photometric redshift measurements, association incompleteness, and the limited sample size. We find that obscured AGNs with N {sub H} > 10{sup 22} cm{sup –2} account for 77{sub −5}{sup +4}% of the number density and luminosity density of the accretion supermassive black hole population with L {sub X} > 10{sup 43} erg s{sup –1}, averaged over cosmic time. Compton-thick AGNs account for approximately half the number and luminosity density of the obscured population, and 38{sub −7}{sup +8}% of the total. We also find evidence that the evolution is obscuration dependent, with the strongest evolution around N {sub H} ≈ 10{sup 23} cm{sup –2}. We highlight this by measuring the obscured fraction in Compton-thin AGNs, which increases toward z ∼ 3, where it is 25% higher than the local value. In contrast, the fraction of Compton-thick AGNs is consistent with being constant at ≈35%, independent of redshift and accretion luminosity. We discuss our findings in the context of existing models and conclude that the observed evolution is, to first order, a side effect of anti-hierarchical growth.

79 ASTRONOMY AND ASTROPHYSICS↗

Multiple RGB ortho-mosaics and digital surface models in 2017 and 2018 across the Lower Montane site in the East River Watershed, Colorado

Aerial imagery was collected at the Lower Montane site (Pumphouse) in the East River Watershed, Colorado during the spring, summer, and fall seasons of 2017 and 2018 to improve the understanding of seasonal vegetation dynamics and their drivers. The datasets include Red-Green-Blue (RGB) ortho-mosaics and digital surface models (DSMs) inferred from the Unoccupied Aerial System (UAS) acquired aerial RGB imagery for June 3, June 19, July 7, and August 14, 2017, and for March 14, April 26, June 1, June 18, July 6, and August 7, 2018. Real-Time Kinematic Global Positioning System (RTK-GPS) surveyed Ground control points (GCPs) were used to increase the reconstruction accuracy. The reconstructed RGB mosaics and DSMs have been trimmed to cover a similar spatial domain. The accuracy of the RGB mosaics is considered high (~10 cm). DSM accuracy is highest (~10 cm) where sufficient GCPS are available, and more difficult to assess elsewhere (see reconstruction reports for uncertainty estimates). The dataset includes a total of 20 GeoTIFF (.tif) files, 10 PDF (.pdf) files, 3 data CSV (.csv) files, and 2 metadata CSV (.csv) files. Feel free to contact the authors with any questions or collaboration interests.This work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231.

54 ENVIRONMENTAL SCIENCES↗

Using Federated Learning to Overcome Data Gravity in Space

Humans intend to take longer missions to outer space. Understanding the impact that space has on human health is paramount to the success of these missions. Controlled experiments with model organisms are run to infer the impact of space conditions on human health, but the data these experiments generate are too large to transfer to Earth for building models. The same is true for space-relevant data generated on Earth. Ideally, these datasets should be combined to improve statistical power and model accuracy without having to transfer data. Federated learning is such a method which trains an algorithm across decentralized computing systems, each of which has their own local copy of training and testing data. In this research, made possible by NASA@Work, the AI for Life in Space group at NASA demonstrates the use of federated learning to train an ensemble of causality inference models on a combination of data residing on the International Space Station (ISS) and in the cloud. Our work leverages CRISP, a causal inference platform developed during the 2020 Frontier Development Lab’s “Astronaut Health Challenge.” We also leverage the OpenFL federated learning library which was collaboratively developed at Intel and UPenn. We used publicly available data from the NASA Ames Life Sciences Data Archive to identify features in ionizing radiation experiments as causal of changes in cardiac blood velocity. This research demonstrates, for the first time, the possibility of running machine learning algorithms on datasets separated by astronomical distances. In this experiment, all the data were generated in terra, half of which were transferred to the ISS and analyzed on the Spaceborne Computer. In the future, our research will leverage federated learning on data generated in situ on the ISS with data generated terrestrially to predict the impact of spaceflight on mammalian female reproductive capacity.

James Casaletto↗

Mechanism of formation of wiggly compaction bands in porous sandstone: 1. Observations and conceptual model

Field observations are combined with microscopic analyses to investigate the mechanism of formation of wiggly compaction bands (CBs) in the porous Jurassic aeolian Aztec Sandstone exposed at Valley of Fire State Park, Nevada. Among the three types of CBs (T1, T2, and T3), we focused on the wiggly CBs (T3), which show a chevron (T3 1 ) or wavy (T3 2 ) pattern with typical corner angles of approximately 90° or 130°, respectively. Where corner angles of wiggly CBs increase to 180°, they become straight CBs (T3 3 ). Image analyses of thin sections using an optical microscope show host rock porosity increases downslope in this dune, and the predominant type of wiggly CBs also varies from chevron to straight CBs. Specifically, band type varies continuously from chevron to wavy to straight where the porosity and grain sorting of the host rock increase systematically. Based on the crack and anticrack models, we infer that the change from chevron to straight CBs is due to increasing failure angle of the sandstone and this may correlate with increasing grain sorting. Wavy CBs with intermediate failure angle and host rock porosity are an intermediate stage between chevron and straight CBs. Previous sedimentological studies also have suggested that grain size and sorting degree increase downslope on the downwind side of sand dunes due to a sieving process of the wind-blown grains. Furthermore, the transition of wiggly CB types in this regard correlates with increasing sorting and perhaps with increasing porosity downslope.

58 GEOSCIENCES↗

Kinematically consistent models of viscoelastic stress evolution

Abstract Following large earthquakes, coseismic stresses at the base of the seismogenic zone may induce rapid viscoelastic deformation in the lower crust and upper mantle. As stresses diffuse away from the primary slip surface in these lower layers, the magnitudes of stress at distant locations (>1 fault length away) may slowly increase. This stress relaxation process has been used to explain delayed earthquake triggering sequences like the 1992 M w = 7.3 Landers and 1999 M w = 7.1 Hector Mine earthquakes in California. However, a conceptual difficulty associated with these models is that the magnitudes of stresses asymptote to constant values over long time scales. This effect introduces persistent perturbations to the total stress field over many earthquake cycles. Here we present a kinematically consistent viscoelastic stress transfer model where the total perturbation to the stress field at the end of the earthquake cycle is zero everywhere. With kinematically consistent models, hypotheses about the potential likelihood of viscoelastically triggered earthquakes may be based on the timing of stress maxima, rather than on any arbitrary or empirically constrained stress thresholds. Based on these models, we infer that earthquakes triggered by viscoelastic earthquake cycle effects may be most likely to occur during the first 50% of the earthquake cycle regardless of the assumed long‐term and transient viscosities.

DeVries, Phoebe M. R.↗

Tunable Microwave Conductance of Nanodomains in Ferroelectric PbZr 0.2 Ti 0.8 O 3 Thin Film

Ferroelectric materials exhibit spontaneous polarization that can be switched by electric field. Beyond traditional applications as nonvolatile capacitive elements, the interplay between polarization and electronic transport in ferroelectric thin films has enabled a path to neuromorphic device applications involving resistive switching. A fundamental challenge, however, is that finite electronic conductivity may introduce considerable power dissipation and perhaps destabilize ferroelectricity itself. In this work, tunable microwave frequency electronic response of domain walls injected into ferroelectric lead zirconate titanate (PbZr 0.2 Ti 0.8 O 3 ) on the level of a single nanodomain is revealed. Tunable microwave response is detected through first-order reversal curve spectroscopy combined with scanning microwave impedance microscopy measurements taken near 3 GHz. Contributions of film interfaces to the measured AC conduction through subtractive milling, where the film exhibited improved conduction properties after removal of surface layers, are investigated. Using statistical analysis and finite element modeling, we inferred that the mechanism of tunable microwave conductance is the variable area of the domain wall in the switching volume. These observations open the possibilities for ferroelectric memristors or volatile resistive switches, localized to several tens of nanometers and operating according to well-defined dynamics under an applied field.

36 MATERIALS SCIENCE↗

Adoption of switchgrass cultivation for biofuel under uncertainty: A discrete-time modeling approach

Production of biofuels from cellulosic sources, such as switchgrass, is being encouraged through man- dates, incentives, and subsidies. However, uncertainty in future prices coupled with large establishment costs often inhibit their cultivation. Owing to their inability to incorporate uncertainty and dynamic decision-making, standard discounted cash flow techniques are ineffective for analyzing such in- vestments. We formulate a discrete-time binomial framework to model output prices, allowing us to incorporate price uncertainty, stand age, and variable crop yields into the analytical framework. We analyze the feasibility of investments in switchgrass cultivation under varying price transition paths, evaluate the relationship between risk and profitability, and estimate the value of flexible decision- making options wherein the farmer can alter cultivation choices. Here, we find that switchgrass cultivation is only 32% likely to be profitable in the base model and infer that on-farm management could play an important role in entry and exit decisions. We also find that subsidies are important for project viability and policymakers could consider incorporating payments for ecosystem services to encourage adoption.

09 BIOMASS FUELS↗

Bedrock architecture, soil texture, and hyporheic zone characterization combining electrical resistivity and induced polarization imaging

The shallow (<15 m depth) subsurface environment of a short reach along a bedrock stream was investigated with electrical resistivity and induced polarization (IP) to map details of bedrock and soil sediments. The bedrock is mostly comprised of limestone, and is generally resistive compared to the overlying soil. The soil-bedrock interface was determined through a trial and error approach using a sharp boundary feature in the inversion model. The inferred bedrock surface determined from the inversions exhibited undulating patterns with troughs and ridges. A near continuous trough ran alongside the stream within the floodplain, and is suggestive of a paleochannel among other interpretations of this feature. The structure of the electrical resistivity above the bedrock showed small-scale elongated features. The chargeability from the IP method showed larger scale features. High values of chargeability were associated with the sediments in the floodplain, and low values were associated with bedrock, stream, and soil on the elevated banks above the stream. If the chargeability is associated with membrane polarization characteristic of clayey soils, then IP seems to highlight the mere existence of clay, while the resistivity may be more discernable of the relative proportion of clay. Vegetation differences may also explain the chargeability distribution, where parts of the survey with high chargeability had dense pine with no understory making the soils more organically rich.

54 ENVIRONMENTAL SCIENCES↗

Inference of phase field fracture models

The phase field approach to modeling fracture uses a diffuse damage field to represent cracks. This representation mollifies singularities that arise in computations with sharp interface models and some of the resultant difficulties in the mathematical and numerical treatment of fracture. Phase field fracture models have proven effective at representing crack propagation, branching, and merging. Specific formulations, beginning with brittle fracture, have also been shown to converge to classical solutions. Extensions to cover the range of material failure, including ductile and cohesive fracture, lead to an array of possible models. There exists a large body of literature focusing on this class of models and on the impact of model form on the predicted crack evolution. However, there have not been systematic studies into how optimal models may be chosen. Here, we take a first step in this direction by developing formal methods for identification of the best parsimonious model of phase field fracture given full-field data on the damage and deformation fields. We consider some of the main models that have been used for the degradation of elastic response due to damage and its propagation. Our approach builds upon Variational System Identification (VSI), a weak form variant of the Sparse Identification of Nonlinear Dynamics (SINDy). Furthermore, in this first communication we focus on synthetically generated data but we also consider central issues associated with the use of experimental full-field data, such as data sparsity and noise.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗