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At least 1,081 records · Page 60

Cross-validation based single response adaptive design of experiments for Kriging metamodeling of deterministic computer simulations

A new approach for single response adaptive design of deterministic computer experiments is presented. The approach is called SFCVT, for Space-Filling CrossValidation Tradeoff. SFCVT uses metamodeling to obtain an estimate of cross-validation errors, which are maximized subject to a constraint on space filling to determine sample points in the design space. The proposed method is compared, using a test suite of forty four numerical examples, with three DOE methods from the literature. The numerical test examples can be classified into symmetric and asymmetric functions. Symmetric examples refer to functions for which the extreme points are located symmetrically in the design space and asymmetric examples are those for which the extreme regions are not located in a symmetric fashion in the design space. Based upon the comparison results for the numerical examples, it is shown that SFCVT performs better than an existing adaptive and a non-adaptive DOE method for asymmetric multimodal functions with high nonlinearity near the boundary, and is comparable for symmetric multimodal functions and other test problems. The proposed approach is integrated with a multi-scale heat exchanger optimization tool to reduce the computational effort involved in the design of novel air-to-water heat exchangers. In conclusion, the resulting designs are shown to be significantly more compact than mainstream heat exchanger designs.

97 MATHEMATICS AND COMPUTING↗

Development and characterization of a wild emmer wheat backcross introgression population for hard winter wheat improvement

Abstract Wild emmer wheat (Triticum turgidumsubsp.dicoccoides) is the tetraploid progenitor of hexaploid bread wheat (Triticum aestivumL.) and is known to be a valuable source of genetic variation for wheat improvement. However, direct evaluation of wild emmer diversity for agronomic potential has limited value unless performed in the backgrounds of adapted cultivars. Here, we present a genetic characterization of a population of 1601 backcross recombinant inbred lines, with an average genome composition of 75% bread wheat and 25% wild emmer. Low‐coverage whole‐genome sequencing allowed introgressions and aneuploidies to be identified at a relatively low cost per sample. We identified a relatively large proportion of small introgressions (median length 38 Mb), and we found introgressions to be distributed across all chromosomes. Approximately 44% of genotyped progeny carried at least one aneuploidy, with monosomies being by far the most common. This population, which we have denoted as the Great Plains Wild Emmer/Hard Winter Wheat introgression population (GPWEW‐IP), is, to our knowledge, the first introgression population developed through the direct hybridization of wild emmer wheat and US‐adapted hard winter wheat. We believe that this population represents a valuable resource for wheat breeders and will accelerate the discovery and integration of useful variation from wild emmer wheat.

Genetics & Heredity↗

High-throughput, dynamic, multi-dimensional: an expanding repertoire of plant respiration measurements

A recent burst of technological innovation and adaptation has greatly improved our ability to capture respiration rate data from plant sources. At the tissue level, several independent respiration measurement options are now available, each with distinct advantages and suitability, including high-throughput sampling capacity. These advancements facilitate the inclusion of respiration rate data into large-scale biological studies such as genetic screens, ecological surveys, crop breeding trials, and multi-omics molecular studies. As a result, our understanding of the correlations of respiration with other biological and biochemical measurements is rapidly increasing. Difficult questions persist concerning the interpretation and utilization of respiration data; concepts such as allocation of respiration to growth versus maintenance, the unnecessary or inefficient use of carbon and energy by respiration, and predictions of future respiration rates in response to environmental change are all insufficiently grounded in empirical data. However, we emphasize that new experimental designs involving novel combinations of respiration rate data with other measurements will flesh-out our current theories of respiration. Furthermore, dynamic recordings of respiration rate, which have long been used at the scale of mitochondria, are increasingly being used at larger scales of size and time to reflect processes of cellular signal transduction and physiological response to the environment. Herein, we also highlight how respiratory methods are being better adapted to different plant tissues including roots and seeds, which have been somewhat neglected historically.

59 BASIC BIOLOGICAL SCIENCES↗

Use of anti-CRISPR protein AcrIIA4 as a capture ligand for CRISPR/Cas9 detection

The clustered regularly interspaced short palindromic repeats (CRISPR)/CRISPR-associated protein 9 (Cas9) ribonucleoprotein (RNP) complex is an RNA-guided DNA-nuclease that is part of the bacterial adaptive immune system. CRISPR/Cas9 RNP has been adapted for targeted genome editing within cells and whole organisms with new applications vastly outpacing detection and quantification of gene-editing reagents. Detection of the CRISPR/Cas9 RNP within biological samples is critical for assessing gene-editing reagent delivery efficiency, retention, persistence, and distribution within living organisms. Conventional detection methods are effective, yet the expense and lack of scalability for antibody-based affinity reagents limit these techniques for clinical and/or field settings. This necessitates the development of low cost, scalable CRISPR/Cas9 RNP affinity reagents as alternatives or augments to antibodies. Herein, we report the development of the Streptococcus pyogenes anti-CRISPR/Cas9 protein, AcrIIA4, as a novel affinity reagent. An engineered cysteine linker enables covalent immobilization of AcrIIA4 onto glassy carbon electrodes functionalized via aryl diazonium chemistry for detection of CRISPR/Cas9 RNP by electrochemical, fluorescent, and colorimetric methods. Electrochemical measurements achieve a detection of 280 pM RNP in reaction buffer and 8 nM RNP in biologically representative conditions. Our results demonstrate the ability of anti-CRISPR proteins to serve as robust, specific, flexible, and economical recognition elements in biosensing/quantification devices for CRISPR/Cas9 RNP.

59 BASIC BIOLOGICAL SCIENCES↗

Multifidelity uncertainty quantification with models based on dissimilar parameters

Multifidelity uncertainty quantification (MF UQ) sampling approaches have been shown to significantly reduce the variance of statistical estimators while preserving the bias of the highest-fidelity model, provided that the low-fidelity models are well correlated. However, maintaining a high level of correlation can be challenging, especially when models depend on different input uncertain parameters, which drastically reduces the correlation. Existing MF UQ approaches do not adequately address this issue. In this work, we propose a new sampling strategy that exploits a shared space to improve the correlation among models with dissimilar parameterization. We achieve this by transforming the original coordinates onto an auxiliary manifold using the adaptive basis (AB) method (Tipireddy and Ghanem, 2014). The AB method has two main benefits: (1) it provides an effective tool to identify the low-dimensional manifold on which each model can be represented, and (2) it enables easy transformation of polynomial chaos representations from high- to low-dimensional spaces. This latter feature is used to identify a shared manifold among models without requiring additional evaluations. Here we present two algorithmic flavors of the new estimator to cover different analysis scenarios, including those with legacy and non-legacy high-fidelity (HF) data. We provide numerical results for analytical examples, a direct field acoustic test, and a finite element model of a nuclear fuel assembly. For all examples, we compare the proposed strategy against both single-fidelity and MF estimators based on the original model parameterization.

42 ENGINEERING↗

THE NATURE OF TRANSITION CIRCUMSTELLAR DISKS. II. SOUTHERN MOLECULAR CLOUDS

Transition disk objects are pre-main-sequence stars with little or no near-IR excess and significant far-IR excess, implying inner opacity holes in their disks. Here we present a multifrequency study of transition disk candidates located in Lupus I, III, IV, V, VI, Corona Australis, and Scorpius. Complementing the information provided by Spitzer with adaptive optics (AO) imaging (NaCo, VLT), submillimeter photometry (APEX), and echelle spectroscopy (Magellan, Du Pont Telescopes), we estimate the multiplicity, disk mass, and accretion rate for each object in our sample in order to identify the mechanism potentially responsible for its inner hole. We find that our transition disks show a rich diversity in their spectral energy distribution morphology, have disk masses ranging from {approx}<1 to 10 M{sub JUP}, and accretion rates ranging from {approx}<10{sup -11} to 10{sup -7.7} M{sub Sun} yr{sup -1}. Of the 17 bona fide transition disks in our sample, three, nine, three, and two objects are consistent with giant planet formation, grain growth, photoevaporation, and debris disks, respectively. Two disks could be circumbinary, which offers tidal truncation as an alternative origin of the inner hole. We find the same heterogeneity of the transition disk population in Lupus III, IV, and Corona Australis as in our previous analysis of transition disks in Ophiuchus while all transition disk candidates selected in Lupus V, VI turned out to be contaminating background asymptotic giant branch stars. All transition disks classified as photoevaporating disks have small disk masses, which indicates that photoevaporation must be less efficient than predicted by most recent models. The three systems that are excellent candidates for harboring giant planets potentially represent invaluable laboratories to study planet formation with the Atacama Large Millimeter/Submillimeter Array.

79 ASTRONOMY AND ASTROPHYSICS↗

Following black hole scaling relations through gas-rich mergers

We present black hole mass measurements from kinematic modeling of high-spatial resolution integral field spectroscopy of the inner regions of nine nearby (ultra-)luminous infrared galaxies in a variety of merger stages. These observations were taken with OSIRIS and laser guide star adaptive optics on the Keck I and Keck II telescopes, and reveal gas and stellar kinematics inside the spheres of influence of these supermassive black holes. We find that this sample of black holes are overmassive (∼10{sup 7–9} M) compared to the expected values based on black hole scaling relations, and suggest that the major epoch of black hole growth occurs in early stages of a merger, as opposed to during a final episode of quasar-mode feedback. The black hole masses presented are the dynamical masses enclosed in ∼25 pc, and could include gas which is gravitationally bound to the black hole but has not yet lost sufficient angular momentum to be accreted. If present, this gas could in principle eventually fuel active galactic nucleus feedback or be itself blown out from the system.

79 ASTRONOMY AND ASTROPHYSICS↗

Plug-and-Play Priors for Bright Field Electron Tomography and Sparse Interpolation

Many material and biological samples in scientific imaging are characterized by nonlocal repeating structures. These are studied using scanning electron microscopy and electron tomography. Sparse sampling of individual pixels in a two-dimensional image acquisition geometry, or sparse sampling of projection images with large tilt increments in a tomography experiment, can enable high speed data acquisition and minimize sample damage caused by the electron beam. In this paper, we present an algorithm for electron tomographic reconstruction and sparse image interpolation that exploits the nonlocal redundancy in images. We adapt a framework, termed plug-and-play priors, to solve these imaging problems in a regularized inversion setting. The power of the plug-and-play approach is that it allows a wide array of modern denoising algorithms to be used as a “prior model” for tomography and image interpolation. We also present sufficient mathematical conditions that ensure convergence of the plug-and-play approach, and we use these insights to design a new nonlocal means denoising algorithm. Finally, we demonstrate that the algorithm produces higher quality reconstructions on both simulated and real electron microscope data, along with improved convergence properties compared to other methods.

47 OTHER INSTRUMENTATION↗

Algorithm 1049: The Delaunay Density Diagnostic

Accurate approximation of a real-valued function depends on two aspects of the available data: the density of inputs within the domain of interest and the variation of the outputs over that domain. There are few methods for assessing whether the density of inputs is sufficient to identify the relevant variations in outputs—i.e., the “geometric scale” of the function—despite the fact that sampling density is closely tied to the success or failure of an approximation method. In this article, we introduce a general purpose, computational approach to detecting the geometric scale of real-valued functions over a fixed domain using a deterministic interpolation technique from computational geometry. The algorithm is intended to work on scalar data in moderate dimensions (2–10). Our algorithm is based on the observation that a sequence of piecewise linear interpolants will converge to a continuous function at a quadratic rate (in L 2 norm) if and only if the data are sampled densely enough to distinguish the feature from noise (assuming sufficiently regular sampling). We present numerical experiments demonstrating how our method can identify feature scale, estimate uncertainty in feature scale, and assess the sampling density for fixed (i.e., static) datasets of input–output pairs. Finally, we include analytical results in support of our numerical findings and have released lightweight code that can be adapted for use in a variety of data science settings.

97 MATHEMATICS AND COMPUTING↗

Rapid simulations of hyperspectral near-field images of three-dimensional heterogeneous surfaces – part II

The modeling of the near-field interaction in the scattering-type scanning near-field optical microscope (s-SNOM) is rapidly advancing, although an accurate yet versatile modeling framework that can be easily adapted to various complex situations is still lacking. In this work, we propose a time-efficient numerical scheme in the quasi-electrostatic limit to capture the tip-sample interaction in the near field. This method considers an extended tip geometry, which is a significant advantage compared to the previously reported method based on the point-dipole approximation. Using this formalism, we investigate, among others, nontrivial questions such as uniaxial and biaxial anisotropy in the near-field interaction, the relationship between various experimental parameters (e.g. tip radius, tapping amplitude, etc.), and the tip-dependent spatial resolution. The demonstrated method further sheds light on the understanding of the contrast mechanism in s-SNOM imaging and spectroscopy, while also representing a valuable platform for future quantitative analysis of the experimental observations.

Chen, Xinzhong (ORCID:0000000261033848)↗

Leaf gas exchange and fitted parameters, San Lorenzo, Panama, 2020

This data package contains photosynthetic CO2 response curves (ACi curves), light response curves (AQ curves), dark adapted dark respiration, conductance curves, and survey measurements for leaves measured at the San Lorenzo forest canopy crane site, Panama (PA-SLZ) from January to March 2020. Leaves were sampled from both the top of the canopy and multiple heights within the canopy from 10 vertical profiles and included around 50 species. In addition, six core species were also measured, from the top of the canopy. Fitted maximum carboxylation rate (Vcmax), maximum electron transport rate (Jmax), and triose phosphate utilization rate (TPU) were derived from measured data as well as the convexity, light use efficiency, apparent quantum yield, and Rdark. The measurements can also be used to derive the conductance parameters g0 and g1 of stomatal model. All the gas exchange data and metadata are presented in .csv files and complete instrument output are included in .zip folders. Data and metadata meet the ESS-DIVE leaf-level gas exchange reporting format requirements. The protocol details are provided as pdf documents. In addition to gas exchange data described here these samples were also used for measurement of leaf optical properties, carbon and nitrogen content, and leaf mass per unit leaf area (LMA) these data can be cross linked using the unique sample ID and are provided in separate related data packages. Sample information including canopy elevation and leaf area index (LAI) can be found in the related “Leaf and canopy traits” data package.

54 ENVIRONMENTAL SCIENCES↗

Active Learning for Rapid Targeted Synthesis of Compositionally Complex Alloys

The next generation of advanced materials is tending toward increasingly complex compositions. Synthesizing precise composition is time-consuming and becomes exponentially demanding with increasing compositional complexity. An experienced human operator does significantly better than a novice but still struggles to consistently achieve precision when synthesis parameters are coupled. The time to optimize synthesis becomes a barrier to exploring scientifically and technologically exciting compositionally complex materials. This investigation demonstrates an active learning (AL) approach for optimizing physical vapor deposition synthesis of thin-film alloys with up to five principal elements. We compared AL-based on Gaussian process (GP) and random forest (RF) models. The best performing models were able to discover synthesis parameters for a target quinary alloy in 14 iterations. We also demonstrate the capability of these models to be used in transfer learning tasks. RF and GP models trained on lower dimensional systems (i.e., ternary, quarternary) show an immediate improvement in prediction accuracy compared to models trained only on quinary samples. Furthermore, samples that only share a few elements in common with the target composition can be used for model pre-training. We believe that such AL approaches can be widely adapted to significantly accelerate the exploration of compositionally complex materials.

Chemistry↗

Method and apparatus for a Fabry-Perot multiple beam fringe sensor

A method and the resulting apparatus for implementing a unique multiple beam fringe sensor that is adapted to be interfaced with a low cost, compact fiber optic transmission system in order to provide an accurate digital representation of a physical parameter (e.g. temperature) of a remote sample. The sensor is fabricated so as to include a Fabry-Perot gap formed between the ends of two mated optical fibers. By examining the optical characteristics of light that is transmitted through the Fabry-Perot sensor gap, an indication of gap width can be ascertained. Accordingly, a change in Fabry-Perot sensor gap width is related to a change in the particular physical parameter to be measured.

James, Kenneth A.↗

A Year of Progress: NASA's Space Launch System Approaches Critical Design Review

NASA's Space Launch System (SLS) made significant progress on the manufacturing floor and on the test stand in 2014 and positioned itself for a successful Critical Design Review in mid-2015. SLS, the world's only exploration-class heavy lift rocket, has the capability to dramatically increase the mass and volume of human and robotic exploration. Additionally, it will decrease overall mission risk, increase safety, and simplify ground and mission operations - all significant considerations for crewed missions and unique high-value national payloads. Development now is focused on configuration with 70 metric tons (t) of payload to low Earth orbit (LEO), more than double the payload of the retired Space Shuttle program or current operational vehicles. This "Block 1" design will launch NASA's Orion Multi-Purpose Crew Vehicle (MPCV) on an uncrewed flight beyond the Moon and back and the first crewed flight around the Moon. The current design has a direct evolutionary path to a vehicle with a 130t lift capability that offers even more flexibility to reduce planetary trip times, simplify payload design cycles, and provide new capabilities such as planetary sample returns. Every major element of SLS has successfully completed its Critical Design Review and now has hardware in production or testing. In fact, the SLS MPCV-to-Stage-Adapter (MSA) flew successfully on the Exploration Flight Test (EFT) 1 launch of a Delta IV and Orion spacecraft in December 2014. The SLS Program is currently working toward vehicle Critical Design Review in mid-2015. This paper will discuss these and other technical and programmatic successes and challenges over the past year and provide a preview of work ahead before the first flight of this new capability.

Askins, Bruce↗

ASGarD: Adaptive Sparse Grid Discretization

Many areas of science exhibit physical processes that are described by high dimensional partial differential equations (PDEs), e.g., the 4D, 5D and 6D models describing magnetized fusion plasmas, models describing quantum chemistry, or derivatives pricing. Such problems are affected by the so-called “curse of dimensionality” where the number of degrees of freedom (or unknowns) required to be solved for scales as N D where N is the number of grid points in any given dimension D. A simple, albeit naive, 6D example is demonstrated in the left panel of Figure 1. With N = 1000 grid points in each dimension, the memory required just to store the solution vector, not to mention forming the matrix required to advance such a system in time, would exceed an exabyte - and also the available memory on the largest of supercomputers available today. The right panel of Figure 1 demonstrates potential savings for a range of problem dimensionalities and grid resolution. While there are methods to simulate such high-dimensional systems, they are mostly based on Monte-Carlo methods, which rely on a statistical sampling such that the resulting solutions include noise. Since the noise in such methods can only be reduced at a rate proportional to $\sqrt{N_p}$ where N p is the number of Monte-Carlo samples, there is a need for continuum, or grid/mesh-based methods for high-dimensional problems, which both do not suffer from noise and bypass the curse of dimensionality. We present a simulation framework that provides such a method using adaptive sparse grids.

97 MATHEMATICS AND COMPUTING↗

A Methodology for determining optimal milling parameters for low-taper microtensile sample production

Femtosecond lasers are beginning to see an increase in interest for industrial and high throughput microsample milling applications. Despite this, much of the literature regarding removal rate studies for ultrashort pulse laser milling continues to focus on single-pulse or similar experiments that have a very small time on target. The material volume removal rates of femtosecond milling can vary wildly depending on parameters like laser scan speed, hatch spacing, z-axis step size, and pulses on the material. Currently, there is no established methodology for determining the optimal values of these parameters for micromilling applications. This methodology was developed in this study. The methodology consists of a pulse study, a repeat study, and a z-step study that will return the milling parameters that resulted in the largest volume removal rate for the laser used for this research. The methodology was created for the laser system used in this study, and was tested on 316 Stainless Steel, but was developed in such a way that it may be adapted to any material, and with some tweaking of variables might be used in other laser systems. The laser system used in this study utilizes a novel positioning stage that introduces 6 degrees of freedom to the translation of laser samples, being able to tilt and move in all three axes. Using both the developed methodology and the unique capabilities of the laser microtensile samples were produced with taper angles of <1° in 316 Stainless Steel.

Barker, Zachary Wayne↗

Sandwich Hybridization Assay for In Situ Real-Time Cyanobacterial Detection and Monitoring: A Review

As cyanobacterial harmful algal bloom (cHAB) events increase in scale, severity, frequency, and duration around the world, rapid and accurate monitoring and characterization tools have become critically essential for regulatory and management decision-making. The composition of cHAB-forming cyanobacteria community can change significantly over time and space and be altered by sample preservation and transportation, making in situ monitoring necessary to obtain real-time and localized information. Sandwich hybridization assay (SHA) utilizes capture oligonucleotide probes for sensitive detection of target-specific nucleic acid sequences. As an amplification-free molecular biology technology, SHA can be adapted for in-situ, real-time or near real-time detection and qualitatively or semi-quantitatively monitoring of cHAB-forming cyanobacteria, owing to its characteristics such as being rapid, portable, inexpensive, and amenable to automation, high sensitivity, specificity and robustness, and multiplexing (i.e., detecting multiple targets simultaneously). Despite its successful application in the monitoring of marine and freshwater phytoplankton, there is still room for improvement. The ability to identify a cHAB community rapidly would decrease delays in cyanotoxin analyses, reduce costs, and increase sample throughput, allowing for timely actions to improve environmental and human health and the understanding of short- and long-term bloom dynamics. Real-time detection and quantitation of HAB-forming cyanobacteria is essential for improving environmental and public health and reducing associated costs. We review and propose to apply SHA for in situ cHABs monitoring.

59 BASIC BIOLOGICAL SCIENCES↗