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At least 343 records · Page 19

Graph neural networks for CO 2 solubility predictions in Deep Eutectic Solvents

Deep Eutectic Solvents (DESs) are a promising class of solvents for CO 2 capture. DESs are complex mixtures that can be designed to optimize CO solubility and overall capture process efficiency. However, the vast design landscape of DES mixtures makes experimental investigation prohibitive; as such, there is a need for computational models that can quickly and efficiently navigate the design space and inform data collection efforts. In this work, we propose Graph Neural Network (GNN) models for predicting CO 2 solubility for DESs; the GNN leverages a mixture graph representation that captures the molecular structure of the DES components as well as their intermolecular interactions. Here, we compare the GNN framework against alternative architectures (neural networks, graph convolution networks, and random forests) and data representations (molecular fingerprints, sigma profiles, and graphs). We show that the proposed approach offers superior predictive performance; specifically, we show that solubility can be predicted reliably directly from molecular structure (without the need of using sigma profiles as proposed in previous studies). This result is important, as obtaining sigma profiles requires expensive density functional theory computations. We also explored the ability of GNNs to predict solubility for new DES mixtures and operating conditions. We found that the model extrapolates across temperature reliably. However, we also found deficiencies in the ability of the model to predict solubility for DES mixtures, pressures, and molar ratio not included in the training sets; we show that this is due to an inherent lack of chemical diversity in datasets available in the literature. The proposed computational capabilities can thus help navigate the design space of DES and inform data collection efforts. Our models, data, and benchmarks are shared as Python code implemented in Jupyter notebooks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Classification of the Gabon SAR Mosaic Using a Wavelet Based Rule Classifier

A method is developed for semi-automated classification of SAR images of the tropical forest. Information is extracted using the wavelet transform (WT). The transform allows for extraction of structural information in the image as a function of scale. In order to classify the SAR image, a Desicion Tree Classifier is used. The method of pruning is used to optimize classification rate versus tree size. The results give explicit insight on the type of information useful for a given class.

Simard, Marc↗

Full-Waveform, Wide-Swath Lidar Imaging of Forested and Urban Areas in Leaf-On Conditions: Development, Results and Future Direction

Full-Waveform lidar measurements provide unprecedented views of the vertical and horizontal structure of vegetation and the topography of the Earth s surface. Utilizing a high signal-to-noise ratio lidar system, larger than typical laser footprints (10-20 m), and the recorded time history of interaction between a short-duration (approx. 10 ns) pulse of laser light and the surface of the Earth, full-waveform lidar is able to simultaneously image sub-canopy topography as well as the vertical structure of any overlying vegetation. These data reveal the true 3-D vegetation structure in leaf-on conditions enabling important biophysical parameters such as above-ground biomass to be estimated with unprecedented accuracy. An airborne lidar mission was conducted July-August 2003 in support of the North America Carbon Program. NASA s Laser Vegetation Imaging Sensor (LVIS) was used to image approximately 2,000 km$^2$ in Maine, New Hampshire, Massachusetts and Maryland. Areas with available ground and other data were included (e.g., experimental forests, FLUXNET sites) in order to facilitate as many bio- and geophysical investigations as possible. Data collected included ground elevation and canopy height measurements for each laser footprint, as well as the vertical distribution of intercepted surfaces. Data will be publicly distributed within 6- 12 months of collection. Further details of the mission, including the lidar system technology, the locations of the mapped areas, and examples of the numerous data products that can be derived from the return waveform data products will be presented. Future applications including detection of ground and vegetation canopy changes and a spaceborne implementation of wide-swath, full-waveform imaging lidar will also be discussed.

Blair, James B.↗

A Structured Light Sensor System for Tree Inventory

Tree Inventory is referred to measurement and estimation of marketable wood volume in a piece of land or forest for purposes such as investment or for loan applications. Exist techniques rely on trained surveyor conducting measurements manually using simple optical or mechanical devices, and hence are time consuming subjective and error prone. The advance of computer vision techniques makes it possible to conduct automatic measurements that are more efficient, objective and reliable. This paper describes 3D measurements of tree diameters using a uniquely designed ensemble of two line laser emitters rigidly mounted on a video camera. The proposed laser camera system relies on a fixed distance between two parallel laser planes and projections of laser lines to calculate tree diameters. Performance of the laser camera system is further enhanced by fusion of information induced from structured lighting and that contained in video images. Comparison will be made between the laser camera sensor system and a stereo vision system previously developed for measurements of tree diameters.

Chien, Chiun-Hong↗

A Machine Learning Approach to Improve Air Traffic Management Initiatives

Collaborating closely with commercial air carriers and related organizations, the Federal Aviation Administration(FAA) regulates air traffic and ensures the safety and efficiency of air operations. Air traffic controllers make strategic decisions, such as delaying, rerouting, or canceling flights, partly based on guidance provided by the FAA’s Air TrafficControl System Command Center (ATCSCC). The guidance includes, among other things, control measures known asTraffic Management Initiatives (TMIs) designed to enhance safety and improve operational efficiency. TMIs play a crucial role in managing the demand and capacity within the U.S. National Airspace System (NAS). Two major TMIs that are routinely used (primarily to mitigate the adverse effects of bad weather) are Ground Delay Programs (GDPs) andGround Stops (GSs). In a GDP, flights destined for airports facing thunderstorm activity experience delays at their origin airports. This proactive approach minimizes the risk of routing aircraft through hazardous weather conditions and also replaces (fuel burning) airborne delays with ground delays. In a GS, a temporary restriction is imposed on the departure or arrival of aircraft at a specific airport or within a designated airspace. Although other TMIs (e.g., miles-in-trail) are also implemented as part of (air) traffic flow management in the NAS, the focus of this work is on GDPs and GSs. Since TMIs, by design, lead to flight delays or cancellations, it is crucial to put in place the right set of parameters(e.g., scope and duration of the GDP). For example, when the end time of a GDP extends beyond what is necessary, it imposes unnecessary delays on departing flights. This situation could occur as a result of inaccurate prediction of the(required) duration of the GDP based on the weather forecast. On the other hand, if a GDP ends prematurely before the underlying capacity constraints are resolved at the destination airport, it may result in airborne holding. The delicate balance lies in matching the termination of the GDP precisely with the resolution of capacity constraints, avoiding both the imposition of unnecessary ground delays and the need for airborne holding due to premature program termination.Failing to specify the right parameters for TMIs also leads to flight delays, creating a significant obstacle in managing the increasing traffic volumes causing increased work load for the controllers. To address this issue, we propose the integration of Machine Learning (ML) models in the traffic flow management(TFM) pipeline. In current operations, decisions are made by human experts based on extensive training, historical patterns, available traffic and weather data. Since we have an abundance of data from past events that tell us the likely impact of various TMIs, by ingesting historical data, properly trained ML models can offer valuable insights and aid human decision-making. With the FAA increasingly exploring advanced analytics, ML emerges as a focal point for enhancing TFM within the National Airspace System (NAS). As a first step, this study aims to provide traffic controllers with decision-making support for the issuance and adjustment of TMIs. Data analytics and machine learning have been previously employed to address some of the challenges associated with TMIs. Numerous studies have concentrated on various facets of TMI issuance, exploring factors influencing TMI parameters, including arrival rate, airport capacity, and delay prediction. For example, using weather forecasts, several statistical methods were used to produce probabilistic capacity profiles which in conjunction with deterministic models provided insights into the GDP planning process [1–4]. The downside of using deterministic models is that they rely on fixed inputs and predetermined rules, which lack the ability to account for the inherent uncertainty and variability present in real-world scenarios. In a separate series of studies, researchers aimed to predict the occurrences of GDPs and GSs. The majority of these studies utilized various supervised learning methods, including Decision Trees, Naive Bayes, Support VectorMachines, and Random Forests to analyze the influence of weather conditions and arrival demand on TMI incidents[5–8]. However, these studies primarily focused on predicting the incidence of TMIs without explicitly addressing the scope of TMIs, including their duration and their geographical coverage. Furthermore, the emphasis of these studies was largely on GDPs, given their higher frequency and longer duration when compared to GSs. A limited number of studies focused on predicting the parameters of TMIs, specifically addressing their duration and extent. In one such study focusing on optimizing the TMI parameters at San Francisco International Airport (SFO),the authors utilized a probabilistic forecast of fog [9]. They simulated various capacity scenarios based on the (fog)burn-off forecasts, selecting GDP parameters that minimized airborne and overall ground delays. However, this approach exclusively emphasizes stratus (fog) burn-off as the primary determinant of GDP and GS, neglecting other influential factors like severe weather events, runway closures, lower capacity than traffic demand, and other important variables. Given the complexity of predicting the TMI and determining its scope, we seek a more holistic approach. We aim to consider all significant factors that could impact TMIs and their parameters. What sets this research apart is the fusion of all data sources relevant to the issuance and adjustment of TMIs and it represents the first comprehensive attempt to optimize TMIs in this manner. Since this comprehensive solution involves various aspects, we break down the problem into smaller components and input all parameters into a unified model called the “TMI Adjuster”. Figure 1 shows the overall framework and the list of datasets used in each model. The objective of the TMI Adjuster module is to deliver reliable, consistent and expedited recommendations for the progression, adjustment, and termination of TMIs. The ML solution entails developing a pipeline capable of predicting the necessity of a TMI (e.g., GS or GDP) along with its various parameters. For example, in the case of a GS, this includes the scope of the GS either in terms of distance from the destination airport or based on pre-defined airspace sectors. Here, scope refers to those regions and departing airports that are subject to the GS. In this paper, we concentrate on the issuance of GSs in the three major airports in the New York area — LaGuardia(LGA), John F. Kennedy International (JFK), and Newark Liberty International (EWR). We fuse traffic, weather and other relevant aviation data from years 2017 to 2019 to train and validate the ML models. In particular, we use the following datasets: •Terminal Aerodrome Forecast (TAF): meteorological forecasts specific to each airport, issued four times a day, covering predefined time periods. •TMI data: includes all GSs and GDPs along with their respective parameters. •Aviation System Performance Metrics (ASPM): includes traffic related data such as aircraft delays, arrival, and departure rates. •Notices to Airmen (NOTAMs): utilized to extract runway closure data and manage interdependencies between terminals in close proximity. •Flight cancellation data •Airspace Flow Programs (AFP): includes information on flight airborne holdings caused by TMIs. The data preprocessing entails transforming ASPM, TMI, AFP, NOTAMs, and weather data into an hourly format and consolidating all datasets by merging them based on date and time as the primary key. The TMI Adjuster framework comprises two parallel models: one dedicated to GS and a second model focused on GDP. As previously mentioned, our specific focus is on the GS model as a multi-classification problem. In this framework, each data point of the GS model input summarizes ten hours of data. Specifically, the data loader for the GS model generates the input and output of the model as follows: at a given time step, the input includes the actual traffic, weather, and TMI data from the two-hour window before the time step, alongside the weather forecast and scheduled traffic for the next 8 hours starting from the time step. Based on this information, the output of the GS model for each time interval consists of three dimensions. The first dimension represents a binary decision on whether there should be a GS in place for the next hour or not. The second dimension is related to the scope of the GS in the United States, and the third dimension is related to the scope of the GS in Canada (i.e., to determine if the GS impacts airports in Canada).One of the challenges with TMI modeling is the sparsity of TMI events, particularly regarding its scope. To address this challenge in the scope of the GS model output, we implement grouping. The GS scope for the US region is defined based on a list of centers that should be included when the GS is in place. With 20 centers in the US, we utilized historical data to group them into 4 categories. In particular, we summarized our historical data in a graph format where nodes represent centers, and link weights are defined based on the co-occurrence of centers in the scope parameter ofTMIs. By identified strongly connected components in this graph, we were able to partition the centers into four groups. We consider two model structures for the GS Model. Firstly, a hierarchical classification model [10], where the human decision-making for a GS is of hierarchical nature. The decision-maker first decides whether there is a need fora GS, and if the answer is yes, determines the scope. A hierarchical classification model organizes the problem into a class hierarchy, typically a tree or a Directed Acyclic Graph (DAG) structure, and considers the dependency of the decision in the previous step to the next component [10]. Here, we employ the local classifier per level approach, which involves training one multi-class classifier for each level of the class hierarchy. The second structure is the independent structure. In this setting, as the name suggests, we do not consider the dependency of the decisions in the different dimensions of the output of the model. Instead, for each dimension, we train a multi-class classifier independently. Table 1 summarizes GS model statistics for training, validation and testing. The table documents the effect of limiting data to the time steps when there was actually a TMI in place or when a TMI had just terminated. This resulted in a more balanced distribution of the GS class(GS positive class)versus “No GS”(GS negative class), which might help the training process. While JFK and LGA follow very similar distributions, with 40% and 42% GS positive class respectively, EWR has proportionally fewer GS incidents at 28%. Our subsequent phase involves evaluating the performance of both hierarchical structure and independent structure using different state-of-the-art multi-class classifier models such as Random Forest, Decision Trees, K-nearest Neighbors, and Logistic Regression and forecast the duration and scope of the GSs.

Farzan Masrour Shalmani↗

SPRUCE Wood Anatomy of Picea mariana and Larix laricina in SPRUCE Experimental Plots, Marcell Experimental Forest, Minnesota, July 2023

Branch samples were collected in July 2023 to measure wood anatomical traits on two dominant conifer species, Picea mariana and Larix laricina, in a bog forest at the SPRUCE (Spruce and Peatland Responses Under Changing Environments) experiment in northern Minnesota. Anatomical measurements were made on the annual rings of those branches with dates ranging from 2011-2023. Wood anatomical measurements include annual tracheid diameter, tracheid density, cell wall thickness, thickness-to-span-ratio, and conduit lumen fraction in both earlywood and latewood. Wood anatomical samples were prepared using a portable sliding microtome (G.S.L.-1 lightweight microtome, WSL) and a light microscope (Leica DM2500). This dataset spans 2011–2023, with full branch-level coverage for 2020–2023, whereas some thinner branches formed only in recent years and therefore do not contain rings from earlier years. By providing annual, treatment-specific anatomical measurements, this dataset can help quantify structural acclimation to global change, clarify links among phenology, wood formation, and hydraulic traits, and improve predictions of forest growth response under future climates. This dataset contains one data file in comma separate (.csv) format. Additional metadata are provided: one data dictionary and a file-level metadata file in comma separate (.csv) format and a user guide in PDF (*.pdf) format.

annual tracheid diameter↗

Baryonic Content in the Warm-Hot IGM at Low Redshift

Baryons are 4.5% of the universe's mass/energy density; only 10% of these are in stars, galaxies, and clusters. At low-redshift 90% of baryons are in the IGM, 30% in Ly-alpha forest, but most are in hot gas (10(exp 5-7) K) produced by shocks during structure formation. O VI 1032-38 A are the best tracers of this gas. The distribution of O VI absorbers observed by FUSE rises as N(sup -2+/-0.2, down to 10(exp 13)/sq cm. Integrated to logN=13, 7% of baryons reside in the O VI-bearing IGM at 10% solar metallicity, T approx. 10(exp 5.5) K. At redshift z<0.1 metals have been transported less than 800/h kpc from L* galaxies and 200/h kpc from 0.1 L* galaxies. The steepness of dN/dz means that low-N absorbers contribute an equal mass of hot IGM as higher N gas. The total mass of O VI-bearing gas in the IGM depends on determining the turnover in dN/dz at low N(O VI). Future observations by FUSE are needed to reach lower N and to reduce the uncertainty in the dN/dz power law.

Sonneborn, George↗

Canopy Spectral Invariants: Application to Classification of Forest Types from Hyperspectral Data - Part 2

Many studies have been conducted to demonstrate the ability of hyperspectral data to discriminate plant dominant species. Most of them have employed the use of empirically based techniques, which are site specific, requires some initial training based on characteristics of known leaf and/or canopy spectra and therefore may not be extendable to operational use or adapted to changing or unknown land cover. In this paper we propose a physically based approach for separation of dominant forest type using hyperspectral data. The radiative transfer theory of canopy spectral invariants underlies the approach, which facilitates parameterization of the canopy reflectance in terms of the leaf spectral scattering and two spectrally invariant and structurally varying variables - recollision and directional escape probabilities. The methodology is based on the idea of retrieving spectrally invariant parameters from hyperspectral data first, and then relating their values to structural characteristics of three-dimensional canopy structure. Theoretical and empirical analyses of ground and airborne data acquired by Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) over two sites in New England, USA, suggest that the canopy spectral invariants convey information about canopy structure at both the macro- and micro-scales. The total escape probability (one minus recollision probability) varies as a power function with the exponent related to the number of nested hierarchical levels present in the pixel. Its base is a geometrical mean of the local total escape probabilities and accounts for the cumulative effect of canopy structure over a wide range of scales. The ratio of the directional to the total escape probability becomes independent of the number of hierarchical levels and is a function of the canopy structure at the macro-scale such as tree spatial distribution, crown shape and size, within-crown foliage density and ground cover. These properties allow for the natural separation of dominant forest classes based on the location of points on the total escape probability vs the ratio log-log plane.

Schull, M. A.↗

Machine learning of 27Al NMR electric field gradient tensors for crystalline structures from DFT

NMR crystallography has emerged as a promising technique for the determination and refinement of atomic coordinates in crystal structures. The crystal structure of compounds containing quadrupolar nuclei, such as 27Al, can be improved by directly comparing solid-state NMR measurements to DFT computations of the electric field gradient (EFG) tensor. The non-negligible computational cost of these first-principles calculations limits the applicability of this method to all but the most well-defined structures. We developed a fast, low-cost machine learning model to predict EFG parameters based on local structural motifs and elemental parameters. We computed 8081 EFG tensors from 1681 27Al crystalline solids using DFT and benchmarked them against 105 experimentally measured 27Al sites. Surprisingly, simple local geometric features dominate the predictive performance of the resulting random-forest model, yielding an R2 value of 0.98 and an RMSE of 0.61 MHz for CQ, the quadrupolar coupling constant. This model accuracy should enable pre-refining future structural assignments before finally validating with first-principles calculations. Such a catalogue of 27Al NMR tensors can serve as a tool for researchers assigning complex NMR spectra influenced by the nuclear electric quadrupole interaction.

Sun, He↗

Evaluation of the Planetary Boundary Layer Height From ERA5 Reanalysis With MOSAiC Observations Over the Arctic Ocean

The planetary boundary layer height (PBLH) is a crucial indicator reflecting the region of the atmosphere characterized by continuous turbulence. Here, we use radiosonde and surface meteorological observations (4–7 times per day, year-round measurements) during the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition to derive the PBLH (PBLH MOSAiC ), and further evaluate the PBLH from the ERA5 reanalysis (PBLH ERA5 ). Comparisons between PBLH MOSAiC and PBLH ERA5 from different perspectives reveal that: (a) The overestimation of PBLH ERA5 when the sea ice concentration is >90% is significant with the centered root mean squared error reaching up to 201 m; (b) The difference between the two products is notably pronounced in cold seasons, while it is comparatively diminished in warm seasons; (c) In neutral boundary layers, differences in PBLH ERA5 are larger compared with stable and convective boundary layers. In addition, the analysis of error sources indicates that the bias of PBLH ERA5 is sensitive to the bias of vertical thermal structure and wind speed profiles in ERA5 data sets in all conditions. Finally, we find a Random Forest model effectively reduces the bias of PBLH ERA5 with the index of agreement reaching up to 0.71 in the test data set, while a multiple linear regression demonstrates comparable performance to the Random Forest model.

54 ENVIRONMENTAL SCIENCES↗

Imaging Laser Altimetry in the Amazon: Mapping Large Areas of Topography, Vegetation Height and Structure, and Biomass

A flight mission of NASA GSFC's Laser Vegetation Imaging Sensor (LVIS) is planned for June-August 2003 in the Amazon region of Brazil. The goal of this flight mission is to map the vegetation height and structure and ground topography of a large area of the Amazon. This data will be used to produce maps of true ground topography, vegetation height, and estimated above-ground biomass and for comparison with and potential calibration of Synthetic Aperture Radar (SAR) data. Approximately 15,000 sq. km covering various regions of the Amazon will be mapped. The LVIS sensor has the unique ability to accurately sense the ground topography beneath even the densest of forest canopies. This is achieved by using a high signal-to-noise laser altimeter to detect the very weak reflection from the ground that is available only through small gaps in between leaves and between tree canopies. Often the amount of ground signal is 1% or less of the total returned echo. Once the ground elevation is identified, that is used as the reference surface from which we measure the vertical height and structure of the vegetation. Test data over tropical forests have shown excellent correlation between LVIS measurements and biomass, basal area, stem density, ground topography, and canopy height. Examples of laser altimetry data over forests and the relationships to biophysical parameters will be shown. Also, recent advances in the LVIS instrument will be discussed.

Blair, J. Bryan↗

Operational use of Landsat data for timber inventory

Landsat TM data, digital elevation model (DEM) data, and field observations were used to generate a timber type/structure and land-cover strata map of the Sequoia National Forest in California, U.S. and to create a classification data set. The spectral classes were identified as 32 information classes of land cover or timber type and structure. DEM data were used for the determination of major timber specie types by topographic regions of natural occurrence. The results suggest that, for inventories over large areas, traditional per-pixel classifiers are not appropriate for TM-resolution data sets over spatially complex regions such as forest lands; either resolution must be degraded, or more context-dependent classifiers, such as the ECHO classifier described by Landgrebe (1979), must be used.

Price, Curtis V.↗

Virtual Growth of SRF Materials

Niobium's native surface oxide affects SRF cavity and superconducting qubit performance, motivating interest in controlling its crystalline structure. We combine a literature-derived machine-learning analysis with temperature-dependent XRD to study crystalline ordering in Nb2O5. Random Forest models, trained on 74 processing conditions from 17 papers and validated by leave-one-group-out cross-validation, predicted broad crystallinity outcomes well (balanced accuracy 0.809), but struggled with specific polymorph identity (0.577). Annealing temperature was the dominant predictor across all targets; oxygen partial pressure showed negligible importance, reflecting narrow literature coverage rather than physical irrelevance. Temperature-dependent XRD on anodized and H2O2-treated Niobium showed structural evolution consistent with the machine learning predictions. Our model and overall approach provide a data-driven framework for identifying and optimizing conditions that promote crystallization in initially amorphous oxides. This framework can guide the selection of growth and post-annealing conditions for Nb surfaces by narrowing the experimental parameter space, thereby reducing trial-and-error efforts in developing oxide structures relevant to SRF applications.

Tilkin, Anthony [Fermilab]↗

Virtual Growth of SRF Materials: A Machine Learning Approach to Predict the Crystalline Structural Ordering in Nb Surface Oxides

Niobium's native surface oxide affects SRF cavity and superconducting qubit performance, motivating interest in controlling its crystalline structure. We combine a literature-derived machine-learning analysis with temperature-dependent XRD to study crystalline ordering in Nb2O5. Random Forest models, trained on 74 processing conditions from 17 papers and validated by leave-one-group-out cross-validation, predicted broad crystallinity outcomes well (balanced accuracy 0.809), but struggled with specific polymorph identity (0.577). Annealing temperature was the dominant predictor across all targets; oxygen partial pressure showed negligible importance, reflecting narrow literature coverage rather than physical irrelevance. Temperature-dependent XRD on anodized and H2O2-treated Niobium showed structural evolution consistent with the machine learning predictions. Our model and overall approach provide a data-driven framework for identifying and optimizing conditions that promote crystallization in initially amorphous oxides. This framework can guide the selection of growth and post-annealing conditions for Nb surfaces by narrowing the experimental parameter space, thereby reducing trial-and-error efforts in developing oxide structures relevant to SRF applications.

Tilkin, Anthony [Unlisted, US, IL; Fermilab]↗

Fusion of AIRSAR and TM Data for Parameter Classification and Estimation in Dense and Hilly Forests

The expanded remotely sensed data space consisting of coincident radar backscatter and optical reflectance data provides for a more complete description of the Earth surface. This is especially useful where many parameters are needed to describe a certain scene, such as in the presence of dense and complex-structured vegetation or where there is considerable underlying topography. The goal of this paper is to use a combination of radar and optical data to develop a methodology for parameter classification for dense and hilly forests, and further, class-specific parameter estimation. The area to be used in this study is the H. J. Andrews Forest in Oregon, one of the Long-Term Ecological Research (LTER) sites in the US. This area consists of various dense old-growth conifer stands, and contains significant topographic relief. The Andrews forest has been the subject of many ecological studies over several decades, resulting in an abundance of ground measurements. Recently, biomass and leaf-area index (LAI) values for approximately 30 reference stands have also become available which span a large range of those parameters. The remote sensing data types to be used are the C-, L-, and P-band polarimetric radar data from the JPL airborne SAR (AIRSAR), the C-band single-polarization data from the JPL topographic SAR (TOPSAR), and the Thematic Mapper (TM) data from Landsat, all acquired in late April 1998. The total number of useful independent data channels from the AIRSAR is 15 (three frequencies, each with three unique polarizations and amplitude and phase of the like-polarized correlation), from the TOPSAR is 2 (amplitude and phase of the interferometric correlation), and from the TM is 6 (the thermal band is not used). The range pixel spacing of the AIRSAR is 3.3m for C- and L-bands and 6.6m for P-band. The TOPSAR pixel spacing is 10m, and the TM pixel size is 30m. To achieve parameter classification, first a number of parameters are defined which are of interest to ecologists for forest process modeling. These parameters include total biomass, leaf biomass, LAI, and tree height. The remote sensing data from radar and TM are used to formulate a multivariate analysis problem given the ground measurements of the parameters. Each class of each parameter is defined by a probability density function (pdf), the spread of which defines the range of that class. High classification accuracy results from situations in which little overlap occurs between pdfs. Classification results provide the basis for the future work of class-specific parameter estimation using radar and optical data. This work was performed in part by the Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA, and in part by the NASA Ames Research Center, Moffett Field, CA, both under contract from the National Aeronautics and Space Administration.

Moghaddam, Mahta↗

The impact of curation errors in the PDBBind Database on machine learning predictions of protein–protein binding affinity

The PDBBind database has been widely utilized for the computational prediction of protein–protein binding affinities. While the accuracy of the PDBBind-curated equilibrium dissociation constants (K D ) has been reported for the protein–ligand subset of the PDBBind database, the curation accuracy has not been reported for the protein–protein subset. Here, we present a detailed manual analysis for the subset of PDBBind records with PubMed Central Open Access primary publications and find that ~19% of these records had K D values that were not supported by their primary publications. The impact of these putative curation errors on the machine learning-based prediction of K D from experimental protein–protein 3D structures was evaluated and correcting the curation errors improved the Pearson correlation coefficient between measured and random forest-predicted log 10 (K D ) values by ~8 percentage points. This finding underscores the importance of dataset accuracy for computational modelling and highlights the need for more stringent curation processes when extracting information from the scientific literature.

59 BASIC BIOLOGICAL SCIENCES↗

Topological grid structure - A data structure for earth science modeling

The automated analysis of land surface features is increasingly important to earth scientists. User-friendly algorithms for studying these features can be integrated into geographic information systems through the use of topological grid structure, which maintains the simplicity and transportability of standard grid structure while providing the essential capability to treat groups of contiguous, identically-classified pixels (corresponding to lakes, forests, fields, etc.) as distinct spatial entities.

Goldberg, M.↗

Taking the Pulse of PyroCumulus Clouds

Forest fires can burn large areas, but can also inject smoke into the upper troposphere/lower stratosphere (UT/LS), where stakes are even higher for climate, because emissions tend to have a longer lifetime, and can produce significant regional and even global climate effects, as is the case with some volcanoes. Large forest fires are now believed to be more common in summer, especially in the boreal regions, where pyrocumulus (pyroCu), and occasionally pyrocumuionimbus (pyroCb) clouds are formed, which can transport emissions into the UT/LS. A major difficulty in developing realistic fire plume models is the lack of observational data within fire plumes that resolves structure at a few 100 m scales, which can be used to validate these models. Here, we report detailed airborne radiation measurements within strong pyroCu taken over boreal forest fires in Saskatchewan, Canada during the Arctic Research of the Composition of the Troposphere from Aircraft and Satellites (ARCTAS) summer field campaign in 2008. We find that the angular distribution of radiance within the pyroCu is closely related to the diffusion domain in water clouds and can be described by very similar simple cosine functions. We demonstrate with Monte Carlo simulations that radiation transport in pyroCu is inherently a 3D phenomenon and must account for particle absorption. However, the simple cosine function promises to offer an easy solution for climate models. The presence of a prominent smoke core, defined by strong extinction in the UV, VIS and NIR, suggests that the core might be an important pathway for emission transport to the upper troposphere and lower stratosphere. We speculate that this plume injection core is generated and sustained by complex processes not yet well understood, but not necessarily related directly to the intense fires that originally initiated the plume rise.

Gatebe, C. K.↗