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DOE OSTI2022

Graph Neural Networks for low-energy event classification & reconstruction in IceCube

IceCube, a cubic-kilometer array of optical sensors built to detect atmospheric and astrophysical neutrinos between 1 GeV and 1 PeV, is deployed 1.45 km to 2.45 km below the surface of the ice sheet at the South Pole. The classification and reconstruction of events from the in-ice detectors play a central role in the analysis of data from IceCube. Reconstructing and classifying events is a challenge due to the irregular detector geometry, inhomogeneous scattering and absorption of light in the ice and, below 100 GeV, the relatively low number of signal photons produced per event. To address this challenge, it is possible to represent IceCube events as point cloud graphs and use a Graph Neural Network (GNN) as the classification and reconstruction method. The GNN is capable of distinguishing neutrino events from cosmic-ray backgrounds, classifying different neutrino event types, and reconstructing the deposited energy, direction and interaction vertex. Based on simulation, we provide a comparison in the 1 GeV–100 GeV energy range to the current state-of-the-art maximum likelihood techniques used in current IceCube analyses, including the effects of known systematic uncertainties. For neutrino event classification, the GNN increases the signal efficiency by 18% at a fixed background rate, compared to current IceCube methods. Alternatively, the GNN offers a reduction of the background (i.e. false positive) rate by over a factor 8 (to below half a percent) at a fixed signal efficiency. For the reconstruction of energy, direction, and interaction vertex, the resolution improves by an average of 13%–20% compared to current maximum likelihood techniques in the energy range of 1 GeV–30 GeV. The GNN, when run on a GPU, is capable of processing IceCube events at a rate nearly double of the median IceCube trigger rate of 2.7 kHz, which opens the possibility of using low energy neutrinos in online searches for transient events.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Enhancing Docking Accuracy with PECAN2, a 3D Atomic Neural Network Trained without Co-Complex Crystal Structures

Decades of drug development research have explored a vast chemical space for highly active compounds. The exponential growth of virtual libraries enables easy access to billions of synthesizable molecules. Computational modeling, particularly molecular docking, utilizes physics-based calculations to prioritize molecules for synthesis and testing. Nevertheless, the molecular docking process often yields docking poses with favorable scores that prove to be inaccurate with experimental testing. To address these issues, several approaches using machine learning (ML) have been proposed to filter incorrect poses based on the crystal structures. However, most of the methods are limited by the availability of structure data. Here, we propose a new pose classification approach, PECAN2 (Pose Classification with 3D Atomic Network 2), without the need for crystal structures, based on a 3D atomic neural network with Point Cloud Network (PCN). The new approach uses the correlation between docking scores and experimental data to assign labels, instead of relying on the crystal structures. We validate the proposed classifier on multiple datasets including human mu, delta, and kappa opioid receptors and SARS-CoV-2 Mpro. Our results demonstrate that leveraging the correlation between docking scores and experimental data alone enhances molecular docking performance by filtering out false positives and false negatives.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1932

Meteorological conditions during the formation of ice on aircraft

These are the results of a number of records recently secured from autographic meteorological instruments mounted on airplanes at times when ice formed. Ice is found to collect on an airplane only when the airplane is in some form of visible moisture, such as cloud, fog, mist, rain. etc., and the air temperature is within certain critical limits. Described here are the characteristics of clear ice and rime ice and the specific types of hazards they present to airplanes and lighter than air vehicles. The weather records are classified according to the two general types of formation (clear ice and rime) together with the respective temperatures, relative humidities, clouds, and elevations above ground at which formations occurred. This classification includes 108 cases where rime formed, 43 cases in which clear ice formed, and 4 cases when both rime and clear ice formed during the same flight. It is evident from the above figures that there was a preponderance of rime by the ratio of 2.5 to 1, while in only a few cases both types of ice formation occurred during the same flight.

Samuels, L T↗

NASA NTRS1989

Classification of merged AVHRR and SMMR Arctic data with neural networks

A forward-feed back-propagation neural network is used to classify merged AVHRR and SMMR summer Arctic data. Four surface and eight cloud classes are identified. Partial memberships of each pixel to each class are examined for spectral ambiguities. Classification results are compared to manual interpretations and to those determined by a supervised maximum likelihood procedure. Results indicate that a neural network approach offers advantages in ease of use, interpretability, and utility for indistinct and time-variant spectral classes.

Key, J.↗

NASA NTRS1972

A study of the utilization of ERTS-A data from the Wabash River Basin. An early analysis of ERTS-1 data

The author has identified the following significant results. A classification of a portion of frame E-1016-16050 CCT was completed using the LARSYS software. The categories: row crops (corn or soybeans), forest and woodland areas, diverted acres of pastureland or nonproductive grassland areas, water (rivers), clouds, and cloud shadows, were represented by one or more spectral classes. The results of this classification are significant in that they show potential for accurate identification and delineation of forested and agricultural areas using automatic data handling techniques.

Landgrebe, D. A.↗

NASA NTRS2019

Application of High-Dimensional Fuzzy K-Means Cluster Analysis to CALIOP/CALIPSO Version 4.1 Cloud-Aerosol Discrimination

This study applies fuzzy k-means (FKM) cluster analyses to a subset of the parameters reported in the CALIPSO lidar level 2 data products in order to classify the layers detected as either clouds or aerosols. The results obtained are used to assess the reliability of the cloud–aerosol discrimination (CAD) scores reported in the version 4.1 release of the CALIPSO data products. FKM is an unsupervised learning algorithm, whereas the CALIPSO operational CAD algorithm (COCA) takes a highly supervised approach. Despite these substantial computational and architectural differences, our statistical analyses show that the FKM classifications agree with the COCA classifications for more than 94 % of the cases in the troposphere. This high degree of similarity is achieved because the lidar-measured signatures of the majority of the clouds and the aerosols are naturally distinct, and hence objective methods can independently and effectively separate the two classes in most cases. Classification differences most often occur in complex scenes (e.g., evaporating water cloud filaments embedded in dense aerosol) or when observing diffuse features that occur only intermittently (e.g., volcanic ash in the tropical tropopause layer). The two methods examined in this study establish overall classification correctness boundaries due to their differing algorithm uncertainties. In addition to comparing the outputs from the two algorithms, analysis of sampling, data training, performance measurements, fuzzy linear discriminants, defuzzification, error propagation, and key parameters in feature type discrimination with the FKM method are further discussed in order to better understand the utility and limits of the application of clustering algorithms to space lidar measurements. In general, we find that both FKM and COCA classification uncertainties are only minimally affected by noise in the CALIPSO measurements, though both algorithms can be challenged by especially complex scenes containing mixtures of discrete layer types. Our analysis results show that attenuated backscatter and color ratio are the driving factors that separate water clouds from aerosols; backscatter intensity, depolarization, and mid-layer altitude are most useful in discriminating between aerosols and ice clouds; and the joint distribution of backscatter intensity and depolarization ratio is critically important for distinguishing ice clouds from water clouds.

Zeng, Shan↗

NASA NTRSDate not supplied

The Seasonal Evolution of Atmospheric Vertical Structure of Smoke and Humidity Over the Southeast Atlantic Biomass Burning Region

The atmosphere over the southeast Atlantic Ocean (SEA) sees a consistent springtime biomass burning (BB) smoke from widespread agricultural fires on the African continent. This smoke layer is initially lofted high in a continental mixed layer (~5-6km) and is then transported westward in the free troposphere, where it overlies and ultimately mixes into the SEA stratocumulus-topped oceanic boundary layer. Coincident with this smoke is an elevated humidity signal which is present from the time a given airmass is over the continental source region; this correlation is persistent through the biomass burning season, although varying through the course of the season. ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS) was a NASA Earth Venture Suborbital mission with the goal of measuring aerosol, cloud, and atmospheric properties over this region during three deployments in September 2016, August 2017, and October 2018. We use the ORACLES observations to assess this smoke-vapor relationship. First, we discuss the good agreement between the airborne ORACLES dataset and the ECMWF ERA5 and CAMS reanalyses, as well as results from NASA’s MERRA-2, as seen over the three deployment years. We then use the reanalyses to develop a framework in which to understand more broadly the radiative and dynamical interactions between the elevated smoke and water vapor over the SEA through the biomass burning season, beyond the three ORACLES observation periods. Looking at seven years of reanalysis data for the BB season, we find distinct variations between each month/deployment in terms of vertical smoke distribution and correlation to atmospheric specific humidity, due to changing conditions through the BB season. Using k-means clustering of these climatological reanalyses, we identify six canonical atmospheric profile types of varying total atmospheric humidity and vertical structure and describe their changing incidence spatially and throughout the season, and six analogous profile types for carbon monoxide, allowing us to characterize the atmospheric structure of both vapor and BB over time throughout the SEA region. The radiative heating of both aerosol and water vapor has potential to influence the cloud-top entrainment and atmospheric turbulence, thus modifying the underlying stratocumulus cloud properties. We next discuss how these smoke-humidity variations influence both the low-cloud fraction (as observed by MODIS and VIIRS, and output by ERA5) and the boundary layer height in the region. This classification will ultimately allow for a more complete analysis of the broader radiative and dynamical effects of humid aerosols overlying stratocumulus clouds.

Kristina Marie Myers Pistone↗

NASA NTRS1997

A study of the evolutionary stages of IRAS sources and outflows in the Mon OB1 dark cloud

An ongoing project aiming to relate the evolutionary stages of the Infrared Astronomy Satellite (IRAS) sources in the Mon OB1 dark cloud to the morphology and energetics of outflows associated with some of these sources, is reported on. Previous evolutionary classifications of IRAS sources are refined and potential class O objects are identified. The fully-sampled CO maps of the outflows in this cloud are presented. These observations yield information on outflow structure, kinematics and excitation conditions. Low-intensity, high velocity gas is observed in the youngest outflows. This emission is characterized by relatively flat line wings at the highest velocities in spectral line profiles obtained at the peaks of the outflow emission.

Wolf-Chase, G.↗

NASA NTRS2004

Application of Bayesian Classification to Content-Based Data Management

The high volume of Earth Observing System data has proven to be challenging to manage for data centers and users alike. At the Goddard Earth Sciences Distributed Active Archive Center (GES DAAC), about 1 TB of new data are archived each day. Distribution to users is also about 1 TB/day. A substantial portion of this distribution is MODIS calibrated radiance data, which has a wide variety of uses. However, much of the data is not useful for a particular user's needs: for example, ocean color users typically need oceanic pixels that are free of cloud and sun-glint. The GES DAAC is using a simple Bayesian classification scheme to rapidly classify each pixel in the scene in order to support several experimental content-based data services for near-real-time MODIS calibrated radiance products (from Direct Readout stations). Content-based subsetting would allow distribution of, say, only clear pixels to the user if desired. Content-based subscriptions would distribute data to users only when they fit the user's usability criteria in their area of interest within the scene. Content-based cache management would retain more useful data on disk for easy online access. The classification may even be exploited in an automated quality assessment of the geolocation product. Though initially to be demonstrated at the GES DAAC, these techniques have applicability in other resource-limited environments, such as spaceborne data systems.

Lynnes, Christopher↗

NASA NTRS1975

The problem of regime summaries of the data from radar observations

Peculiarities of the radar information about clouds are examined in comparison with visual data. An objective radar classification is presented and the relation of it to the meteorological classification is shown. The advisability of storage and summarization of the primary radar data for regime purposes is substantiated.

Divinskaya, B. S.↗

NASA NTRSDate not supplied

Mapping Aerosol Lidar Ratios Over Ocean for CALIPSO Using Modis AOD-Constrained Retrievals and A Global Aerosol Model

The CALIPSO aerosol algorithms currently assign one lidar ratio value for each of the seven tropospheric aerosol types. In a future data products release, the CALIPSO project aims to improve these algorithms by developing regional and seasonal lidar ratio climatologies. In this study, aerosol lidar ratios are inferred through Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) backscatter profiles constrained by collocated aerosol optical depth from Aqua Moderate Resolution Imaging Spectroradiometer (MODIS) datasets. The analysis is subsampled for only those profiles that are cloud-free and contain one aerosol type (based on CALIOP feature classification). In addition, the CALIOP profiles are collocated with aerosol volume fractions simulated by the Goddard Chemistry Aerosol Radiation and Transport (GOCART) model. In this talk, the twelve-year (2006-2017) mean spatial distributions of inferred aerosol lidar ratios for CALIOP-classified marine aerosols and the corresponding modeled sea salt volume fractions (SSVF) will be shown. Model-assisted climatological lidar ratio maps on a seasonal scale will also be presented, developed from the empirical relationship found between the modeled SSVF and lidar ratios. A comparison with past studies will be provided as well as results of a sensitivity study regarding the variability of retrieved lidar ratios as a function of horizontal averaging resolution. While the majority of this talk will focus on lidar ratios for CALIOP-classified marine aerosols, preliminary results will be shown for other aerosol types over ocean, such as dust and elevated smoke.

Travis Toth↗

NASA NTRS1973

Opportunities for space surveys of moisture anomalies

Review of a combination of infrared scanning, unsupervised spectroscopic classification, change detection, and perturbation spectroscopy for monitoring anomalous moisture exchange from space. Infrared sensors have been developed which can monitor the solar reflectance from droplet distributions in vegetation and clouds, the absorption of thermal radiation by water vapor, and the microwave attenuation by atmospheric water. Unsupervised spectroscopic classification techniques are emerging which have the potential to subdivide strip maps from infrared scanners into different moisture targets. Intersecting and parallel spacecraft orbits provide opportunities to study the change of recognized targets between two scans and to recognize anomalous moisture exchange from those changes which significantly exceed the statistical uncertainty of the spectroscopic target signature. The new concept of perturbation spectroscopy shows a potential to quantitatively determine the change of integrated water vapor pressure with a minimum of 'atmospheric truth' and with low spectroscopic resolution that is typical of simple interference filters.

Krause, F. R.↗

DOE OSTI2026

Two-Stage Wildlife Event Classification for Edge Deployment

Camera-based wildlife monitoring is often overwhelmed by non-target triggers and slowed by manual review or cloud-dependent inference, which can prevent timely intervention for high stakes human–wildlife conflicts. Our key contribution is a deployable, fully offline edge vision sensor that achieves near-real-time, highly accurate wildlife event classification by combining detector-based empty-image suppression with a lightweight classifier trained with a staged transfer-learning curriculum. Specifically, Stage 1 uses a pretrained You Only Look Once (YOLO)-family detector for permissive animal localization and empty-trigger suppression, and Stage 2 uses a lightweight EfficientNet-based binary classifier to confirm puma on detector crops and gate downstream actions. Our design is robust to low-quality nighttime monochrome imagery (motion blur, low contrast, illumination artifacts, and partial-body captures) and operates using commercially available components in connectivity-limited settings. In field deployments running since May 2025, end-to-end latency from camera trigger to action command is approximately 4 s. Ablation studies using a dataset of labeled wildlife images (pumas, not pumas) show that the two-stage approach substantially reduces false alarms in identifying pumas relative to a full-image classifier while maintaining high recall. On the held-out test set (N = 1434 events), the proposed two-stage cascade achieves precision 0.983, recall 0.975, F1 0.979, accuracy 0.986, and balanced accuracy 0.983, with only 8 false positives and 12 false negatives. The system can be easily adapted for other species, as demonstrated by rapid retraining of the second stage to classify ringtails. Downstream responses (e.g., notifications and optional audio/light outputs) provide flexible actuation capabilities that can be configured to support intervention.

58 GEOSCIENCES↗

NASA NTRS2021

Assessment of ICESat-2 Sea Ice Surface Classification with Sentinel-2 Imagery: Implications for Freeboard and New Estimates of Lead and Floe Geometry

NASA's Ice, Cloud, and Land Elevation Satellite-2 (ICESat-2) mission launched in September 2018 and is now providing high-resolution surface elevation profiling across the entire globe, including the sea ice cover of the Arctic and Southern Oceans. For sea ice applications, successfully discriminating returns between sea ice and open water is key for accurately determining freeboard (the extension of sea ice above local sea level) and new information regarding the geometry of sea ice floes and leads. We take advantage of near-coincident optical imagery obtained from the European Space Agency (ESA) Sentinel-2 (S-2) satellite over the Western Weddell Sea of the Southern Ocean in March 2019 and the Lincoln Sea of the Arctic Ocean in May 2019 to evaluate the surface classification scheme in the ICESat-2 ATL07 and ATL10 sea ice products. We find a high level of agreement between the ATL07 (specular) lead classification and visible leads in the S-2 imagery in these two coincident images across all six ICESat-2 beams, increasing our confidence in the freeboard products and deriving new estimates of the sea ice state. The S-2 overlays provide additional, albeit limited, evidence of the misclassification of dark leads due to clouds. Dark leads are no longer used to derive sea surface and thus freeboard as of the third release (r003) of the ICESat-2 sea ice products. We show estimates of lead fraction and more preliminary estimates of chord length (a proxy for floe size) using two metrics for classifying sea surface (lead) segments across both the Arctic and Southern Ocean for the first winter season of data collection.

A. A. Petty↗

NASA NTRS2023

The Calipso Version 4.5 Stratospheric Aerosol Subtyping Algorithm

The accurate classification of aerosol types injected into the stratosphere is important to properly characterize their chemical and radiative impacts within the Earth climate system. The updated stratospheric aerosol subtyping algorithm used in the version 4.5 (V4.5) release of the Cloud Aerosol Lidar with Orthogonal Polarization (CALIOP) level 2 data products now delivers more comprehensive and accurate classifications than its predecessor. The original algorithm identified four aerosol subtypes for layers detected above the tropopause: volcanic ash, smoke, sulfate/other, and polar stratospheric aerosol (PSA). In the revised algorithm, sulfates are separately identified as a distinct, homogeneous subtype, and the diffuse, weakly scattering layers previously assigned to the sulfate/other class are recategorized as a fifth “unclassified” subtype. By making two structural changes to the algorithm and revising two thresholds, the V4.5 algorithm improves the ability to discriminate between volcanic ash and smoke from pyrocumulonimbus injections, improves the fidelity of the sulfate subtype, and more accurately reflects the uncertainties inherent in the classification process. The 532 nm lidar ratio for volcanic ash was also revised to a value more consistent with the current state of knowledge. This paper briefly reviews the previous version of the algorithm (V4.1 and V4.2) then fully details the rationale and impact of the V4.5 changes on subtype classification frequency for specific events where the dominant aerosol type is known based on the literature. Classification accuracy is best for volcanic ash due to its characteristically high depolarization ratio. Smoke layers in the stratosphere are also classified with reasonable accuracy, though during the daytime a substantial fraction are misclassified as ash. It is also possible for mixtures of ash and sulfate to be misclassified as smoke. The V4.5 sulfate subtype accuracy is less than that for ash or smoke, with sulfates being misclassified as smoke about one-third of the time. However, because exceptionally tenuous layers are now assigned to the unclassified subtype and the revised algorithm levies more stringent criteria for identifying an aerosol as sulfate, it is more likely that layers labeled as this subtype are in fact sulfate compared to those assigned the sulfate/other classification in the previous data release.

Jason L Tackett↗

DOE OSTI2025

Synoptic Weather Regime Classifications for June, July, August, and September, 2022

The synoptic weather regime classification has become a highly demanded product for the ARM site in recent years. This type of regime classification has shown applications in various studies and topics, including aerosol-cloud interactions, land-atmosphere interactions, and cloud radiative effects. The VAP employs an unsupervised machine learning method, Self-organizing map (SOM), to classify weather regimes for each day of the AMF campaigns and fixed sites, using ERA5 data. This idea is mainly based on our published study for TRACER in Wang et al. (2022, JGR-A). This dataset includes the data in June, July, August, and September; the last year of the data is 2022.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Synoptic Weather Regime Classifications for the whole year, from 2014 to 2015

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Synoptic Weather Regime Classifications for June, July, August, from 2000 to 2024

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