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At least 235 records · Page 13

Mars-GRAM Applications for Mars Science Laboratory Mission Site Selection Processes

An overview is presented of the Mars-Global Reference Atmospheric Model (Mars-GRAM 2005) and its new features. One important new feature is the "auxiliary profile" option, whereby a simple input file is used to replace mean atmospheric values from Mars-GRAM's conventional (General Circulation Model) climatology. An auxiliary profile can be generated from any source of data or alternate model output. Results are presented using auxiliary profiles produced from mesoscale model output (Southwest Research Institute's Mars Regional Atmospheric Modeling System (MRAMS) model and Oregon State University's Mars mesoscale model (MMM5) model) for three candidate Mars Science Laboratory (MSL) landing sites (Terby Crater, Melas Chasma, and Gale Crater). A global Thermal Emission Spectrometer (TES) database has also been generated for purposes of making 'Mars-GRAM auxiliary profiles. This data base contains averages and standard deviations of temperature, density, and thermal wind components, averaged over 5-by-5 degree latitude bins and 15 degree L(sub S) bins, for each of three Mars years of TES nadir data. Comparisons show reasonably good consistency between Mars-GRAM with low dust optical depth and both TES observed and mesoscale model simulated density at the three study sites. Mean winds differ by a more significant degree. Comparisons of mesoscale and TES standard deviations' with conventional Mars-GRAM values, show that Mars-GRAM density perturbations are somewhat conservative (larger than observed variability), while mesoscale-modeled wind variations are larger than Mars-GRAM model estimates. Input parameters rpscale (for density perturbations) and rwscale (for wind perturbations) can be used to "recalibrate" Mars-GRAM perturbation magnitudes to better replicate observed or mesoscale model variability.

Justh, Hilary↗

Simulation evaluation of combined 4D RNAV and airborne traffic situation displays and procedures applied to terminal aerial maneuvers

Simulation scenarios were developed in which subject pilots must simultaneously follow a 3D terminal airspace structure and arrive at fixed waypoints within the structure precisely at pre-scheduled times in the presence of a full range of wind conditions aloft, and monitor nearby traffic on an airborne traffic situation display, especially during merging and spacing operations, and detect blunders and resolve conflicts in a safe manner. Open-loop simulator tests of the single-stage 4D RNAV algorithm indicate that a descending pilot can comply quite closely with an assigned time of arrival at a 3D waypoint simply by tracking a pre-calculated speed profile. Initial experiments show that the aircraft arrives at the 3D waypoint within a few seconds of the anticipated time. The presence of headwinds or tailwinds does not affect the arrival time error as long as the wind is accurately modeled in the descent algorithm. Results all but quarantee that a 5 second standard deviation in arrival time error can be realized in closed-loop descents at very moderate pilot workload levels.

Athans, M.↗

Flowfield dynamics in blunt fin-induced shock wave/turbulent boundary layer interactions

Fluctuating wall pressure measurements have been made on centerline upstream of a blunt fin in a Mach 5 turbulent boundary layer. By examining the ensemble averaged wall pressure distributions for different separation shock foot positions, it has been shown that local fluctuating wall pressure measurements are due to a distinct pressure distribution, Rho(sub i), which undergoes a stretching and flattening effect as its upstream boundary translates aperiodically between the upstream influence and separation lines. The locations of the maxima and minima in the wall pressure standard deviation can be accurately predicted using this distribution, providing quantitative confirmation of the model. This model also explains the observed cross-correlations and ensemble average measurements within the interaction. Using the Rho(sub i) model, wall pressure signals from under the separated flow region were used to reproduce the position-time history of the separation shock foot. Further, the negative time delay peak in the cross-correlation between the predicted and actual shock foot histories suggests that the separated region fluctuations precede shock foot motion. The unsteady behavior of the primary horseshoe vortex and its relation to the unsteady separation shock are described.

Dolling, David S.↗

Reliability Analysis and Reliability-Based Design Optimization of Circular Composite Cylinders Under Axial Compression

This report describes the preliminary results of an investigation on component reliability analysis and reliability-based design optimization of thin-walled circular composite cylinders with average diameter and average length of 15 inches. Structural reliability is based on axial buckling strength of the cylinder. Both Monte Carlo simulation and First Order Reliability Method are considered for reliability analysis with the latter incorporated into the reliability-based structural optimization problem. To improve the efficiency of reliability sensitivity analysis and design optimization solution, the buckling strength of the cylinder is estimated using a second-order response surface model. The sensitivity of the reliability index with respect to the mean and standard deviation of each random variable is calculated and compared. The reliability index is found to be extremely sensitive to the applied load and elastic modulus of the material in the fiber direction. The cylinder diameter was found to have the third highest impact on the reliability index. Also the uncertainty in the applied load, captured by examining different values for its coefficient of variation, is found to have a large influence on cylinder reliability. The optimization problem for minimum weight is solved subject to a design constraint on element reliability index. The methodology, solution procedure and optimization results are included in this report.

Rais-Rohani, Masoud↗

The Re-Analysis of Ozone Profile Data from a 41-Year Series of SBUV Instruments

In this study we present the validation of ozone profiles from a number of Solar Back Scattered Ultra Violet (SBUV) and SBUV/2 instruments that were recently reprocessed using an updated (Version 8.6) algorithm. The SBUV dataset provides the longest available record of global ozone profiles, spanning a 41-year period from 1970 to 2011 (except a 5-year gap in the 1970s) and includes ozone profile records obtained from the Nimbus-4 BUV and Nimbus-7 SBUV instruments, and a series of SBUV(/2) instruments launched on NOAA operational satellites (NOAA 09, 11, 14, 16, 17, 18, 19). Although modifications in instrument design were made in the evolution from the BUV instrument to the modern SBUV(/2) model, the basic principles of the measurement technique and retrieval algorithm remain the same. The long term SBUV data record allows us to create a consistent, calibrated dataset of ozone profiles that can be used for climate studies and trend analyses. In particular, we focus on estimating the various sources of error in the SBUV profile ozone retrievals using independent observations and analysis of the algorithm itself. For the first time we include in the metadata a quantitative estimate of the smoothing error, defined as the error due to profile variability that the SBUV observing system cannot inherently measure. The magnitude of the smoothing error varies with altitude, latitude, season and solar zenith angle. Between 10 and 1 hPa the smoothing errors for the SBUV monthly zonal mean retrievals are of the order of 1 %, but start to increase above and below this layer. The largest smoothing errors, as large as 15-20%, were detected in in the troposphere. The SBUV averaging kernels, provided with the ozone profiles in version 8.6, help to eliminate the smoothing effect when comparing the SBUV profiles with high vertical resolution measurements, and make it convenient to use the SBUV ozone profiles for data assimilation and model validation purposes. The smoothing error can also be minimized by combining layers of data, and we will discuss recommendations for this approach as well. The SBUV ozone profiles have been intensively validated against satellite profile measurements obtained from the Microwave Limb Sounders (MLS) (on board the UARS and AURA satellites), Stratospheric Aerosol and Gas Experiment (SAGE) and Michelson Interferometer for Passive Atmospheric Sounding (MIPAS). Also, we compare coincident and collocated SBUV ozone retrievals with observations made by ground-based instruments, such as microwave spectrometers, lidars, Umkehr instruments and balloon-borne ozonosondes. Finally, we compare the SBUV ozone profiles with output from the NASA GSFC GEOS-CCM model. In the stratosphere between 25 and 1 hPa the mean biases and standard deviations are within 5% for monthly mean ozone profiles. Above and below this layer the vertical resolution of the SBUV algorithm decreases and the effects of vertical smoothing should be taken into account. Though the SBUV algorithm has a coarser vertical resolution in the lower stratosphere and troposphere, it is capable of precisely estimating the integrated ozone column between the surface and 25 hPa. The time series of the tropospheric - lower stratospheric ozone column derived from SBUV agrees within 5% with the corresponding values observed by an ensemble of ozone sonde stations in North Hemisphere. Drift of the ozone time series obtained from each SBUV(/2) instrument relative to ground based and satellite measurements are evaluated and some features of individual SBUV(l2) instruments are discussed. In addition to evaluating individual instruments against independent observations, we also focus on the instrument to instrument consistency in the series. Overall, Version 8.6 ozone profiles obtained from two different SBUV(l2) instruments compare within a couple of percent during overlap periods and are consistently varying in time, with some exceptions. Some of the noted discrepancies might bssociated with ozone diurnal variations, since the difference in the local time of the observations for a pair of SBUV(l2) instruments could be several hours. Other issues include the potential short-term drift in measurements as the instrument orbit drifts, and measurements are obtained at high solar zenith angles (>85 ). Based on the results of the validation, a consistent, calibrated dataset of SBUV ozone profiles has been created based on internal calibration only.

Kramarova, Natalya↗

Cloud Influence on ERA5 and AMPS Surface Downwelling Longwave Radiation Biases in West Antarctica

The surface downwelling longwave radiation component (LW[down arrow]) is crucial for the determination of the surface energy budget and has significant implications for the resilience of ice surfaces in the polar regions. Accurate model evaluation of this radiation component requires knowledge about the phase, vertical distribution, and associated temperature of water in the atmosphere, all of which control the LW[down arrow] signal measured at the surface. In this study, we examine the LW[down arrow] model errors found in the Antarctic Mesoscale Prediction System (AMPS) operational forecast model and the ERA5 reanalysis model relative to observations from the AWARE campaign at McMurdo Station and the West Antarctic Ice Sheet (WAIS) Divide. The errors are calculated separately for observed clear-sky conditions, ice-cloud occurrences, and liquid-bearing cloud layer (LBCL) occurrences. The analysis results show a tendency in both models at each site to underestimate the LW[down arrow] during clear sky conditions, high error variability (standard deviations > 20 W/m[exp2]) during any type of cloud occurrence, and negative LW biases when LBCLs are observed (bias magnitudes > 15 W/m[exp2] in tenuous LBCL cases; > 43 W/m[exp2] in optically thick/opaque LBCLs instances). We suggest that a generally dry and liquid-deficient atmosphere responsible for the identified LW[down arrow] biases in both models is the result of excessive ice formation and growth, which could stem from model initial and lateral boundary conditions, microphysics scheme, aerosol representation, and/or limited vertical resolution.

Israel Silber↗

Spanwise measurements of vertical components of atmospheric turbulence

Correlation and spectrum magnitude estimates are computed for vertical gust velocity measurements at the nose and wing tips of a NASA B-57B aircraft for six level flight, low speed and low altitude runs and are compared with those of the von Karman atmospheric turbulence model extended for spanwise relationships. The distance between the wing tips was 62.6 ft. Airspeeds ranged from about 330 to 400 ft/sec, heights above the ground ranged from near ground level to about 5250 ft. and gust velocity standard deviations ranged from 4.10 to 8.86 ft/sec. Integral scale lengths, determined by matching measured autocorrelation estimates with those of the model, ranged from 410 to 2050 ft. Digital signals derived from piezoelectric sensors provided continuous pressure and airspeed measurements. Some directional acceleration sensitivity of the sensors was eliminated by sensor orientation, and their performance was spectrally verified for the higher frequencies with supplemental onboard piezoresistive sensors. The model appeared to satisfactorily predict the trends of the measured cross-correlations and cross-spectrum magnitudes, particularly between the nose and wing tips. However, the measured magnitude estimates of the cross-spectra between the wing tips exceeded the predicted levels at the higher frequencies. Causes for the additional power across the wing tips were investigated. Vertical gust velocity components evaluated along and lateral to the flight path implied that the frozen-turbulence-field assumption is a suitable approximation.

Sleeper, Robert K.↗

Kinematic principles of primate rotational vestibulo-ocular reflex. II. Gravity-dependent modulation of primary eye position

The kinematic constraints of three-dimensional eye positions were investigated in rhesus monkeys during passive head and body rotations relative to gravity. We studied fast and slow phase components of the vestibulo-ocular reflex (VOR) elicited by constant-velocity yaw rotations and sinusoidal oscillations about an earth-horizontal axis. We found that the spatial orientation of both fast and slow phase eye positions could be described locally by a planar surface with torsional variation of <2.0 +/- 0.4 degrees (displacement planes) that systematically rotated and/or shifted relative to Listing's plane. In supine/prone positions, displacement planes pitched forward/backward; in left/right ear-down positions, displacement planes were parallel shifted along the positive/negative torsional axis. Dynamically changing primary eye positions were computed from displacement planes. Torsional and vertical components of primary eye position modulated as a sinusoidal function of head orientation in space. The torsional component was maximal in ear-down positions and approximately zero in supine/prone orientations. The opposite was observed for the vertical component. Modulation of the horizontal component of primary eye position exhibited a more complex dependence. In contrast to the torsional component, which was relatively independent of rotational speed, modulation of the vertical and horizontal components of primary position depended strongly on the speed of head rotation (i.e., on the frequency of oscillation of the gravity vector component): the faster the head rotated relative to gravity, the larger was the modulation. Corresponding results were obtained when a model based on a sinusoidal dependence of instantaneous displacement planes (and primary eye position) on head orientation relative to gravity was fitted to VOR fast phase positions. When VOR fast phase positions were expressed relative to primary eye position estimated from the model fits, they were confined approximately to a single plane with a small torsional standard deviation ( approximately 1.4-2.6 degrees). This reduced torsional variation was in contrast to the large torsional spread (well >10-15 degrees ) of fast phase positions when expressed relative to Listing's plane. We conclude that primary eye position depends dynamically on head orientation relative to space rather than being fixed to the head. It defines a gravity-dependent coordinate system relative to which the torsional variability of eye positions is minimized even when the head is moved passively and vestibulo-ocular reflexes are evoked. In this general sense, Listing's law is preserved with respect to an otolith-controlled reference system that is defined dynamically by gravity.

NASA Discipline Neuroscience↗

A Search Model for Imperfectly Detected Targets

Under the assumptions that 1) the search region can be divided up into N non-overlapping sub-regions that are searched sequentially, 2) the probability of detection is unity if a sub-region is selected, and 3) no information is available to guide the search, there are two extreme case models. The search can be done perfectly, leading to a uniform distribution over the number of searches required, or the search can be done with no memory, leading to a geometric distribution for the number of searches required with a success probability of 1/N. If the probability of detection P is less than unity, but the search is done otherwise perfectly, the searcher will have to search the N regions repeatedly until detection occurs. The number of searches is thus the sum two random variables. One is N times the number of full searches (a geometric distribution with success probability P) and the other is the uniform distribution over the integers 1 to N. The first three moments of this distribution were computed, giving the mean, standard deviation, and the kurtosis of the distribution as a function of the two parameters. The model was fit to the data presented last year (Ahumada, Billington, & Kaiwi, 2 required to find a single pixel target on a simulated horizon. The model gave a good fit to the three moments for all three observers.

Ahumada, Albert↗

The Far-Infrared Emission Line and Continuum Spectrum of the Seyfert Galaxy NGC 1068

We report on the analysis of the first complete far-infrared spectrum (43-197 microns) of the Seyfert 2 galaxy NGC 1068 as observed with the Long Wavelength Spectrometer (LWS) onboard the Infrared Space Observatory (ISO). In addition to the 7 expected ionic fine structure emission lines, the OH rotational lines at 79, 119 and 163 microns were all detected in emission, which is unique among galaxies with full LWS spectra, where the 119 micron line, where detected, is always in absorption. The observed line intensities were modelled together with IS0 Short Wavelength Spectrometer (SWS) and optical and ultraviolet line intensities from the literature, considering two independent emission components: the AGN component and the starburst component in the circumnuclear ring of approximately 3kpc in size. Using the UV to mid-IR emission line spectrum to constrain the nuclear ionizing continuum, we have confirmed previous results: a canonical power-law ionizing spectrum is a poorer fit than one with a deep absorption trough, while the presence of a big blue bump is ruled out. Based on the instantaneous starburst age of 5 Myr constrained by the Br gamma equivalent width in the starburst ring, and starburst synthesis models of the mid- and far-infrared fine-structure line emission, a low ionization parameter (U=10(exp -3.5)) and low densities (n=100 cm (exp -3)) are derived. Combining the AGN and starburst components, we succeed in modeling the overall UV to far-IR atomic spectrum of SGC 1068, reproducing the line fluxes to within a factor 2.0 on average with a standard deviation of 1.4. The OH 119 micron emission indicates that the line is collisionally excited, and arises in a warm and dense region. The OH emission has been modeled using spherically symmetric, non-local, non-LTE radiative transfer models. The models indicate that the bulk of the emission arises from the nuclear region, although some extended contribution from the starburst is not ruled out. The OH abundance in the nuclear region is expected to be approximately 10(exp -5), characteristic of X-ray dominated regions.

Spinoglio, Luigi↗

Friction Velocity Estimation Using Dual-Frequency Altimeter Data

Global estimation of wind speeds near the sea-surface can be obtained using normalized radar cross sections sigma(o) from satellite-borne single-frequency altimeters. Indeed recent validation studies of Geosat altimeter-derived wind speeds show that several often cited semiempirical algorithms yield linear trends between wind-speeds from altimeter data and wind speeds from (a) ships of opportunity (Etcheto 1992), (b) buoys (Carter 1992), and (c) atmospheric models (Guillaume 1992). Although the linear trends are striking, there is considerable scatter since the range of standard deviations is from 1.5 to 3 m/s. In fact, the scatter of some particular measurements about the regressions is striking because they depart from the 'standard' by as much as +/- 5 m/s, which is large - even for full gale winds of 20 m/s. These anomalies can cause serious problems for gas exchange, heat, and aerosol estimates. They can also induce considerable errors in wind-driven oceanic circulation models and sea-surface wave models. This paper explores the possibility of improving the accuracy of wind speed estimation using dual-frequency altimeters.

Bliven, Larry F.↗

Tropospheric Ozone Changes, Radiative Forcing and Attribution to Emissions in the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP)

Ozone (O3) from 17 atmospheric chemistry models taking part in the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP) has been used to calculate tropospheric ozone radiative forcings (RFs). All models applied a common set of anthropogenic emissions, which are better constrained for the present-day than the past. Future anthropogenic emissions follow the four Representative Concentration Pathway (RCP) scenarios, which define a relatively narrow range of possible air pollution emissions. We calculate a value for the pre-industrial (1750) to present-day (2010) tropospheric ozone RF of 410 mW m−2. The model range of pre-industrial to present-day changes in O3 produces a spread (+/-1 standard deviation) in RFs of +/-17%. Three different radiation schemes were used - we find differences in RFs between schemes (for the same ozone fields) of +/-10 percent. Applying two different tropopause definitions gives differences in RFs of +/-3 percent. Given additional (unquantified) uncertainties associated with emissions, climate-chemistry interactions and land-use change, we estimate an overall uncertainty of +/-30 percent for the tropospheric ozone RF. Experiments carried out by a subset of six models attribute tropospheric ozone RF to increased emissions of methane (44+/-12 percent), nitrogen oxides (31 +/- 9 percent), carbon monoxide (15 +/- 3 percent) and non-methane volatile organic compounds (9 +/- 2 percent); earlier studies attributed more of the tropospheric ozone RF to methane and less to nitrogen oxides. Normalising RFs to changes in tropospheric column ozone, we find a global mean normalised RF of 42 mW m(−2) DU(−1), a value similar to previous work. Using normalised RFs and future tropospheric column ozone projections we calculate future tropospheric ozone RFs (mW m(−2); relative to 1750) for the four future scenarios (RCP2.6, RCP4.5, RCP6.0 and RCP8.5) of 350, 420, 370 and 460 (in 2030), and 200, 300, 280 and 600 (in 2100). Models show some coherent responses of ozone to climate change: decreases in the tropical lower troposphere, associated with increases in water vapour; and increases in the sub-tropical to mid-latitude upper troposphere, associated with increases in lightning and stratosphere-to-troposphere transport. Climate change has relatively small impacts on global mean tropospheric ozone RF.

climate change↗

Search for the production of a Higgs boson in association with a single top quark in pp collisions at $\sqrt{s}=13$ TeV with the ATLAS detector

A search for the production of a Higgs boson in association with a single top quark, tH, is presented. The analysis uses proton-proton collision data corresponding to an integrated luminosity of 140 fb −1 at a centre-of-mass energy of 13 TeV, collected by the ATLAS detector at the LHC. The search targets Higgs-boson decays into $b\bar{b}$, WW * , ZZ * , and ττ, accompanied by an isolated lepton (electron or muon) from the top-quark decay. Multivariate techniques are employed to enhance the separation between signal and background processes. The observed signal strength, μ tH , defined as the ratio between the measured cross-section and the predicted Standard Model value, is μ tH = 8.1 ± 2.6 (stat.) ± 2.0 (syst.). The significance of the observed (expected) signal above the background-only expectation is 2.8 (0.4) standard deviations. The corresponding observed (expected) upper limit at the 95% confidence level on the tH cross-section is found to be 13.9 (6.1) times the value predicted by the Standard Model. An interpretation with an inverted sign of the top-quark Yukawa coupling is performed, and the signal strength and corresponding limit are reported.

Hadron-Hadron Scattering↗

Observation of VVZ production at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for the production of three massive vector bosons, VVZ(V = W, Z) , in proton-proton collisions at $\sqrt{s}$ = 13 TeV is performed using data with an integrated luminosity of 140 fb -1 recorded by the ATLAS detector at the Large Hadron Collider. Events produced in the leptonic final states WWZ → ℓvℓvℓℓ (ℓ = e,μ), WZZ → ℓvℓℓℓℓ, ZZZ → ℓℓℓℓℓ, and the semileptonic final states WWZ → qq ℓvℓℓ and WZZ → ℓv qq ℓℓ, are analysed. The measured cross section for the pp → VVZ process is 660$^{+93}_{-90}$(stat.)$^{+80}_{-81}$(syst.) fb, and the observed (expected) significance is 6.4 (4.7) standard deviations, representing the observation of VVZ production. In addition, the measured cross section for the pp → WWZ process is 442 ± 94(stat.)$^{+60}_{-52}$(syst.) fb, and the observed (expected) significance is 4.4 (3.6) standard deviations, representing evidence of WWZ production. The measured cross sections are consistent with the Standard Model predictions. Constraints on physics beyond the Standard Model are also derived in the effective field theory framework by setting limits on Wilson coefficients for dimension-8 operators describing anomalous quartic gauge boson couplings.

Aad, G. (ORCID:0000000266654934)↗

Delivery performance of conventional aircraft by terminal-area, time-based air traffic control: A real-time simulation evaluation

A description and results are presented of a study to measure the performance and reaction of airline flight crews, in a full workload DC-9 cockpit, flying in a real-time simulation of an air traffic control (ATC) concept called Traffic Intelligence for the Management of Efficient Runway-scheduling (TIMER). Experimental objectives were to verify earlier fast-time TIMER time-delivery precision results and obtain data for the validation or refinement of existing computer models of pilot/airborne performance. Experimental data indicated a runway threshold, interarrival-time-error standard deviation in the range of 10.4 to 14.1 seconds. Other real-time system performance parameters measured include approach speeds, response time to controller turn instructions, bank angles employed, and ATC controller message delivery-time errors.

Credeur, Leonard↗

Flowfield dynamics in blunt fin-induced shock wave/turbulent boundary layer interactions

Fluctuating wall pressure measurements were made on centerline upstream of a blunt fin in a Much 5 turbulent boundary layer. By examining the ensemble average wall pressure distributions for different fixed shock foot positions, it was shown that local fluctuating wall pressure measurements are due to a distinct pressure distribution, P(i), which undergoes a stretching and flattening effect as its upstream boundary translates aperiodically between the upstream influence and separation lines. The locations of the maxima and minima in the centerline wall standard deviation distribution can be accurately predicted using this distribution, providing quantitative confirmation of the model. This model also explains the observed cross-correlations and ensemble average measurements within the interaction. Using the P(i) model, wall pressure signals from under the separated flow region were able to reproduce the position-time history of the separation shock foot. The negative time delay peak in the cross-correlation between the predicted and actual shock foot histories shows that the separated region fluctuations precede shock foot motion.

Brusniak, L.↗

SeaWiFS Postlaunch Technical Report Series: The SeaWiFS Solar Radiation-Based Calibration and the Transfer-to-Orbit Experiment - Volume 5

The solar radiation-based calibration (SRBC) of the Sea-viewing Wide Field-of-view Sensor (SeaWiFS) was performed on 1 November 1993. Measurements were made outdoors in the courtyard of the instrument manufacturer. SeaWiFS viewed the solar irradiance reflected from the sensor's diffuser in the same manner as viewed on orbit. The calibration included measurements using a solar radiometer designed to determine the transmittances of principal atmospheric constituents. The primary uncertainties in the outdoor measurements are the transmission of the atmosphere and the reflectance of the diffuser. Their combined uncertainty is about 5 or 6%. The SRBC also requires knowledge of the extraterrestrial solar spectrum. Four solar models are used. When averaged over the responses of the SeaWiFS bands, the irradiance models agree at the 3.6% level, with the greatest difference for SeaWiFS band 8. The calibration coefficients from the SRBC are lower than those from the laboratory calibration of the instrument in 1997. For a representative solar model, the ratios of the SRBC coefficients to laboratory values average 0.962 with a standard deviation of 0.012. The greatest relative difference is 0.946 for band 8. These values are within the estimated uncertainties of the calibration measurements. For the transfer-to-orbit experiment, the measurements in the manufacturer's courtyard are used to predict the digital counts from the instrument on its first day on orbit (August 1, 1997). This experiment requires an estimate of the relative change in the diffuser response for the period between the launch of the instrument and its first solar measurements on orbit (September 9, 1997). In relative terms, the counts from the instrument on its first day on orbit averaged 1.3% higher than predicted, with a standard deviation of 1.2% and a greatest difference of 2.4% or band 7. The estimated uncertainty for the transfer-to-orbit experiment is about 3 or 4%.

Hooker, Stanford B.↗

Active learning enables generation of molecules that advance the known Pareto front

Although generative models hold promise for discovering molecules with optimized desired properties, they often fail to suggest synthesizable molecules that improve upon the properties of the structures represented in the training distribution. We find that this limitation arises not only from the molecule generation process itself, but also from the poor generalization capabilities of molecular property predictors. We address this challenge by creating a closed-loop molecule generation pipeline with iterative retraining on new quantum chemical simulation data. Compared against static, single-pass generative modeling approaches, only our closed-loop iterative workflow generates molecules with properties extending beyond the training distribution (up to 0.44 standard deviations beyond the original range) and achieves a 79% improvement in out-of-distribution molecule classification accuracy. Furthermore, by conditioning molecular generation on thermodynamic stability data obtained during the iterative loop, the proportion of stable and hence potentially synthesizable molecules generated is 3.5x higher than the next-best model.

Chemistry↗