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DOE OSTI2019

Topology Inference of Unknown Networks Based on Robust Virtual Coordinate Systems

Learning and exploring the connectivity of unknown networks represent an important problem in practical applications of communication networks and social-media networks. Modeling large-scale networks as connected graphs is highly desirable to extract their connectivity information among nodes to visualize network topology, disseminate data, and improve routing efficiency. This paper investigates a simple measurement model in which a small subset of source nodes collect hop distance information from networked nodes in order to generate a virtual coordinate system (VCS) for networks of unknown topology. We establish the VCS to define logical distance among nodes based on principal component analysis and to determine connectivity relationship and effective routing methods. More importantly, we present a robust analytical algorithm to derive the VCS against practical issues of missing and corrupted measurements. We also develop a connectivity inference method which classifies nodes into layers based on the hop distances and derives partial information on network connectivity.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1977

Scientific rationale and strategies for a first comet mission: Report of the Comet Halley science working group

The science objectives of a first comet mission are reviewed and related to what is known or can be expected to be learned in the near future from ground-based and near earth observations. A set of instruments and their science objectives are defined for a mission to Comet Halley during its 1985/86 apparition. The benefits from a fast flyby, a slow flyby, or a rendezvous mission and the relative impact of each on the instrument payload were assessed. The relative scientific value of encounters with the comet at distances from the sun ranging from 1 AU to 2.5 AU, including possible tradeoffs between flyby velocity and distance was considered. Pre- and post-perihelion encounters were likewise evaluated.

Source record↗

DOE OSTI2023

Emulation of seismic-phase traveltimes with machine learning

SUMMARY We present a machine learning (ML) method for emulating seismic-phase traveltimes that are computed using a global-scale 3-D earth model and physics-based ray tracing. Accurate traveltime predictions based on 3-D earth models are known to reduce the bias of event location estimates, increase our ability to assign phase labels to seismic detections and associate detections to events. However, practical use of 3-D models is challenged by slow computational speed and the unwieldiness of pre-computed lookup tables that are often large and have prescribed computational grids. In this work, we train a ML emulator using pre-computed traveltimes, resulting in a compact and computationally fast way to approximate traveltimes that are based on a 3-D earth model. Our model is trained using approximately 850 million P-wave traveltimes that are based on the global LLNL-G3D-JPS model, which was developed for more accurate event location. The training-set consists of traveltimes between 10 393 global seismic stations and randomly sampled event locations that provide a prescribed, distance-dependent geographic sample density for each station. Prediction accuracy is dependent on event-station distance and whether the station was included in the training set. For stations included in the training set the mean absolute deviation (MAD) of the difference between traveltimes computed using ray tracing through the 3-D model and the ML emulator for local, regional, and teleseismic distances are 0.090, 0.125 and 0.121 s, respectively. For tested station locations not included in the training set, MAD values for the three distance ranges increase to 0.173, 0.219 and 0.210 s, respectively. Empirical traveltime residuals for a global reference data are indistinguishable when ML emulation or the 3-D model is used to compute traveltimes. This result holds regardless of whether the recording station is used in ML training or not.

58 GEOSCIENCES↗

DOE OSTI2022

The Gaia EDR3 view of Johnson-Kron-Cousins standard stars: the curated Landolt and Stetson collections

In the era of large surveys and space missions, it is necessary to rely on large samples of well-characterized stars for inter-calibrating and comparing measurements from different surveys and catalogues. Among the most employed photometric systems, the Johnson-Kron-Cousins has been used for decades and for a large amount of important datasets. Our goal is to profit from the Gaia EDR3 data, Gaia official cross-match algorithm, and Gaia -derived literature catalogues, to provide a well-characterized and clean sample of secondary standards in the Johnson-Kron-Cousins system, as well as a set of transformations between the main photometric systems and the Johnson-Kron-Cousins one. Using Gaia as a reference, as well as data from reddening maps, spectroscopic surveys, and variable stars monitoring surveys, we curated and characterized the widely used Landolt and Stetson collections of more than 200 000 secondary standards, employing classical as well as machine learning techniques. In particular, our atmospheric parameters agree significantly better with spectroscopic ones, compared to other machine learning catalogues. We also cross-matched the curated collections with the major photometric surveys to provide a comprehensive set of reliable measurements in the most widely adopted photometric systems. We provide a curated catalogue of secondary standards in the Johnson-Kron-Cousins system that are well-measured and as free as possible from variable and multiple sources. We characterize the collection in terms of astrophysical parameters, distance, reddening, and radial velocity. We provide a table with the magnitudes of the secondary standards in the most widely used photometric systems (ugriz, grizy, Gaia , HIPPARCOS, Tycho , 2MASS). We finally provide a set of 167 polynomial transformations, valid for dwarfs and giants, metal-poor and metal-rich stars, to transform UBVRI magnitudes in the above photometric systems and vice-versa.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Improving materials property predictions for graph neural networks with minimal feature engineering *

Graph neural networks (GNNs) have been employed in materials research to predict physical and functional properties, and have achieved superior performance in several application domains over prior machine learning approaches. Recent studies incorporate features of increasing complexity such as Gaussian radial functions, plane wave functions, and angular terms to augment the neural network models, with the expectation that these features are critical for achieving a high performance. Here, we propose a GNN that adopts edge convolution where hidden edge features evolve during training and extensive attention mechanisms, and operates on simple graphs with atoms as nodes and distances between them as edges. As a result, the same model can be used for very different tasks as no other domain-specific features are used. With a model that uses no feature engineering, we achieve performance comparable with state-of-the-art models with elaborate features for formation energy and band gap prediction with standard benchmarks; we achieve even better performance when the dataset size increases. Although some domain-specific datasets still require hand-crafted features to achieve state-of-the-art results, our selected architecture choices greatly reduce the need for elaborate feature engineering and still maintain predictive power in comparison.

42 ENGINEERING↗

DOE OSTI2024

Physics-Based Machine Learning Methods for U-235 Forensics Signatures

Signatures of low-intensity U-235 sources have been recently studied by utilizing a variety of machine learning (ML) classifiers using features derived from gamma spectral measurements collected under structured campaigns. Several ML classifiers, such as ensemble of tress and classification trees, revealed misleadingly-optimistic training error due to over-fitting, and furthermore, their performance is not directly relatable to the physical properties due to their data-driven, opaque designs. We present a regression-based ML method that first estimates the inverse distance to the source and then utilizes a threshold to infer its presence, by representing the background as a source located at an infinite distance. For the inverse distance estimation, we study the ensemble of trees and Gaussian process regression methods, and a hyper parameter auto-tuning and selection method that employs five regression estimators. These methods avoid the over-fitting observed in several ML classifiers, while providing the classification error nearly comparable to them based on independent test data. Their error is directly related to estimates of the inverse physical distance to source, and the precision of error determines the seperability property that determines the false alarm and missed detection rates. The property of monotonic decrease of the source strength with increasing detector distance combined with Poisson distribution of measurements is utilized to analytically validate these methods by deriving the generalization equations of underlying regression methods.

Rao, Nageswara↗

NASA NTRS1972

Sky-wave backscatter - A means for observing our environment at great distances.

During the last five years, much progress has been made in the understanding of sky-wave backscatter. An explanation of the various interacting phenomena is presented, as is a review of the current state of knowledge reflecting recent advances in observational methods and analytic techniques. New narrow-beam antennas, coupled with signal modulations that permit fine resolution in time delay, are beginning to yield information concerning the character of the scatterers, which now can be separately discerned. These narrow beams also permit study of polarization fading from small regions, and this shows promise as a means for learning the distant sea state. Doppler shifts of a fraction of a hertz on signals of tens of megahertz are separable, permitting isolation of sea returns from ground returns by virtue of the Doppler effect resulting from sea-wave speed; this also suggests a potential sea-monitoring principle. Despite these advances, there is little practical application of sky-wave backscatter as a means of environmental monitoring. This lack is attributed to the large remaining gaps in our understanding of the echoes and our inability to interpret the forms of data that can be acquired with equipment of reasonable cost.

Croft, T. A.↗

NASA NTRS1991

Efficient visual grasping alignment for cylinders

Monocular information from a gripper-mounted camera is used to servo the robot gripper to grasp a cylinder. The fundamental concept for rapid pose estimation is to reduce the amount of information that needs to be processed during each vision update interval. The grasping procedure is divided into four phases: learn, recognition, alignment, and approach. In the learn phase, a cylinder is placed in the gripper and the pose estimate is stored and later used as the servo target. This is performed once as a calibration step. The recognition phase verifies the presence of a cylinder in the camera field of view. An initial pose estimate is computed and uncluttered scan regions are selected. The radius of the cylinder is estimated by moving the robot a fixed distance toward the cylinder and observing the change in the image. The alignment phase processes only the scan regions obtained previously. Rapid pose estimates are used to align the robot with the cylinder at a fixed distance from it. The relative motion of the cylinder is used to generate an extrapolated pose-based trajectory for the robot controller. The approach phase guides the robot gripper to a grasping position. The cylinder can be grasped with a minimal reaction force and torque when only rough global pose information is initially available.

Nicewarner, Keith E.↗

NASA NTRS1992

Efficient visual grasping alignment for cylinders

Nicewarner, Keith E.↗

NASA NTRS1933

A simple method for increasing the lift of airplane wings by means of flaps

Aerodynamic considerations led us, not long ago, to investigate a device which seemed to promise a contribution to the problem of reducing the landing speed of an airplane. We have subsequently learned that similar devices had already been proposed and investigated by others, but it seems advisable, nevertheless, to report our results. The problem is to create, in landing, a region of turbulence on the lower side of the wing near the trailing edge by some obstacle to the air flow. The devices tested by us consisted of flaps of varying chord and position, the chord s being equal to the distance of the pivot from the trailing edge.

Gruschwitz, Eugen↗

DOE OSTI2019

From Cosmological Observations to Fundamental Interactions (Final Report)

This research has focused on exploring how to learn about what happened at the beginning of the universe and about the fundamental laws of physics from cosmological observations. In particular, it has focused on understanding the possible observable consequence of the theory of inflation, which is an epoch of extremely rapid expansion that is supposed to have happened at the very beginning of the universe. Additionally, it has explored how to describe the clustering of galaxies at the longest distances in the universe, using simple equations that can be solved with simple calculus methods. These provide a useful tool to imagine to evolve the universe backwards and understand what were the initial conditions from which it started.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1976

DHARMA - Discriminant hyperplane abstracting residuals minimization algorithm for separating clusters with fuzzy boundaries

Learning of discriminant hyperplanes in imperfectly supervised or unsupervised training sample sets with unreliably labeled samples along the fuzzy joint boundaries between sample clusters is discussed, with the discriminant hyperplane designed to be a least-squares fit to the unreliably labeled data points. (Samples along the fuzzy boundary jump back and forth from one cluster to the other in recursive cluster stabilization and are considered unreliably labeled.) Minimization of the distances of these unreliably labeled samples from the hyperplanes does not sacrifice the ability to discriminate between classes represented by reliably labeled subsets of samples. An equivalent unconstrained linear inequality problem is formulated and algorithms for its solution are indicated. Landsat earth sensing data were used in confirming the validity and computational feasibility of the approach, which should be useful in deriving discriminant hyperplanes separating clusters with fuzzy boundaries, given supervised training sample sets with unreliably labeled boundary samples.

Dasarathy, B. V.↗

DOE OSTI2023

Machine Learning for Daily Forecasts of Arctic Sea Ice Motion: An Attribution Assessment of Model Predictive Skill

Physics-based simulations of Arctic sea ice are highly complex, involving transport between different phases, length scales, and time scales. Resultantly, numerical simulations of sea ice dynamics have a high computational cost and model uncertainty. We employ data-driven machine learning (ML) to make predictions of sea ice motion. The ML models are built to predict present-day sea ice velocity given present-day wind velocity and previous-day sea ice concentration and velocity. Models are trained using reanalysis winds and satellite-derived sea ice properties. We compare the predictions of three different models: persistence (PS), linear regression (LR), and a convolutional neural network (CNN). We quantify the spatiotemporal variability of the correlation between observations and the statistical model predictions. Additionally, we analyze model performance in comparison to variability in properties related to ice motion (wind velocity, ice velocity, ice concentration, distance from coast, bathymetric depth) to understand the processes related to decreases in model performance. Results indicate that a CNN makes skillful predictions of daily sea ice velocity with a correlation up to 0.81 between predicted and observed sea ice velocity, while the LR and PS implementations exhibit correlations of 0.78 and 0.69, respectively. The correlation varies spatially and seasonally: lower values occur in shallow coastal regions and during times of minimum sea ice extent. LR parameter analysis indicates that wind velocity plays the largest role in predicting sea ice velocity on 1-day time scales, particularly in the central Arctic. Regions where wind velocity has the largest LR parameter are regions where the CNN has higher predictive skill than the LR.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Spatiotemporal Dynamics of the Relative Abundance of Soil Nutrient‐Degrading Enzyme‐Encoding Genes Across Continental US Ecoregions

Understanding the spatiotemporal patterns in the relative abundance of soil extracellular enzyme‐encoding genes is critical for predicting microbial responses to environmental change and their potential role in nutrient cycling. Yet, integrating novel metagenomic observations with spatiotemporal environmental gradients to infer regional patterns and future trajectories has remained unclear. To address this gap, we applied a machine learning (ML) approach, integrating soil metagenomic data with environmental variables—soil properties, topography, vegetation, and climate—to predict the relative abundance of enzyme‐encoding genes for soil carbon (C), nitrogen (N), and phosphorus (P) across surface soils of the continental United States. We assessed potential responses under future emission scenarios (SSP2‐4.5 and SSP5‐8.5) by comparing a baseline (1985–2014) to a future period (2071–2100). The ML model explained 57%–63% of baseline variation. Precipitation was identified as the most influential factor for the relative abundance of C‐ and N‐degrading enzyme‐encoding genes, while slope length, representing horizontal distance that water can travel downslope, was the primary driver for P‐degrading enzyme‐encoding genes abundance. Projections revealed spatially heterogeneous shifts across continental US ecoregions: the relative abundance of C‐ and N‐degrading enzyme‐encoding genes decreased in wetter ecoregions and increased in drier ecoregions under future climate, while P‐degrading enzyme‐encoding genes abundance decreased significantly in semiarid and Mediterranean ecoregions. This study demonstrates the utility of metagenomic data for mapping soil genetic potential and predicting its regional response to environmental change, to inform ecosystem management strategies.

extracellular enzyme-encoding genes↗

DOE OSTI2019

A Comparison of Adaptive and Template Matching Techniques for Radio-Isotope Identification

We compare and contrast the effectiveness of a set of adaptive and non-adaptive algorithms for isotope identi cation based on gamma-ray spectra. One dimensional energy spectra are simulated for a variety of dwell-times and source to detector distances in order to reflect conditions typically encountered in radiological emergency response and environmental monitoring applications. We nd that adaptive methods are more accurate and computationally efficient than non-adaptive in cases of operational interest.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2000

Information Theoretic Extraction of EEG Features for Monitoring Subject Attention

The goal of this project was to test the applicability of information theoretic learning (feasibility study) to develop new brain computer interfaces (BCI). The difficulty to BCI comes from several aspects: (1) the effective data collection of signals related to cognition; (2) the preprocessing of these signals to extract the relevant information; (3) the pattern recognition methodology to detect reliably the signals related to cognitive states. We only addressed the two last aspects in this research. We started by evaluating an information theoretic measure of distance (Bhattacharyya distance) for BCI performance with good predictive results. We also compared several features to detect the presence of event related desynchronization (ERD) and synchronization (ERS), and concluded that at least for now the bandpass filtering is the best compromise between simplicity and performance. Finally, we implemented several classifiers for temporal - pattern recognition. We found out that the performance of temporal classifiers is superior to static classifiers but not by much. We conclude by stating that the future of BCI should be found in alternate approaches to sense, collect and process the signals created by populations of neurons. Towards this goal, cross-disciplinary teams of neuroscientists and engineers should be funded to approach BCIs from a much more principled view point.

Principe, Jose C.↗

NASA NTRSDate not supplied

A New ML-Based Adaptive Thinning Methodology to Improve the Impact of AIRS and CrIS Assimilation on Global Tropical Cyclone Forecasts

This work builds on previous research performed by this team to improve the forecast of Tropical Cyclones (TCs) by assimilating AIRS and CrIS radiances into the NASA Global Earth Observing System (GEOS). Past published work demonstrated that the assimilation of radiances with variable density was beneficial to TC forecasting in the GEOS. In the previous setup, a fixed-size moving square named 'TC domain' was activated by the so-called TC-vitals, an international real-time message accessible to all NWP forecasting centers, that documents the existence of a TC, its estimated position, and its size. The information from TC-vitals activated a switch in the GEOS, which allowed to reduce the distance used for thinning AIRS and CrIS data inside a 15 degrees by 15 degrees moving TC domain centered on the storm, so that more data were assimilated in the vicinity of the TC during its lifetime. The methodology produced improved TC analyses and led to better forecasts, particularly related to intensity, without damaging the global forecast skill. In the new version, the adaptive thinning methodology is based on a machine-learning technique. The technique searches for TCs and creates TC masks by using cloud-top temperatures from all geostationary satellites without the need for additional information. It is being trained against the International Best Track Archive for Climate Stewardship (IBTrACS) data base. Once a TC mask is created, a switch identical to the one used in the previous adaptive thinning method is activated, allowing the GEOS to ingest more data in the TC-shaped size-changing domain that follows the storm. As of today, the team has been able to successfully assimilate data inside the ML-detected TC domains. Future work includes an improved capability of reducing false alarm rates (i.e., cloud systems that are erroneously labeled as TCs).

Oreste Reale↗

NASA NTRSDate not supplied

Interpretable Machine Learning Models for Autonomous Characterization of Analogue Ocean World Seawater Chemistry and Biosignature Potential Using Isotope Ratio Data

Background: Future missions to ocean worlds, such as Enceladus and Europa, will attempt to characterize the subsurface seawater chemistry and assess the potential for life. Such missions will be equipped with capabilities to precisely measure volatile isotopes in plumes, atmospheres, and exospheres. Motivation: While large isotopic fractionations can indicate a biological source, there are signatures resulting from abiotic geochemical processes that mimic isotopic biosignatures. While machine learning (ML) has the potential to disentangle competing effects and biotic mimicry, high-dimensional isotope ratio mass spectrometry (IRMS) data is likely to contain noise/irrelevant features and involve complex statistical interactions that make human inference and interpretation difficult. Further, ML predictions with as far-reaching implications as an extraterrestrial biosignature on an ocean world requires the use of interpretable models (i.e., not “black box” models) with physically and mathematically meaningful feature spaces along with false positive diagnostics. Methods: We use volatile CO2 IRMS data of analogue ocean world seawaters to validate an ML approach to provide biogeochemical context for biosignature detection. We employ a feature selection method called nearest-neighbor projected distance regression (NPDR) that detects statistical interactions and helps elucidate the mechanisms of the Random Forest classification models. Results: We train and validate predictive ML models on volatile CO2 IRMS data of analogue ocean world seawaters to predict major salt components (e.g., MgSO4, NaHCO3), pH, ionic strength, and the presence of biosignatures. Features derived from IRMS measurements are augmented with extracted time-series features. Our results show high test accuracy and interpretability, which is increased by interaction network visualization, sample-wise variable importance scores, and single-sample class probability estimates. We demonstrate an ML mission software solution that triggers autonomous data transmission and biogeochemical sample prediction.

geochemistry↗