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At least 1,603 records · Page 89

pixelvar79/ESGAN-Flowering-Detection-paper

Machine learning (ML) can accelerate biological research. However, the adoption of such tools to facilitate phenotyping based on sensor data has been limited by (i) the need for a large amount of human-annotated training data for each context in which the tool is used and (ii) phenotypes varying across contexts defined in terms of genetics and environment. This is a major bottleneck because acquiring training data is generally costly and time-consuming. This study demonstrates how a ML approach can address these challenges by minimizing the amount of human supervision needed for tool building. A case study was performed to compare ML approaches that examine images collected by an uncrewed aerial vehicle to determine the presence/absence of panicles (i.e. “heading”) across thousands of field plots containing genetically diverse breeding populations of 2 Miscanthus species. Automated analysis of aerial imagery enabled the identification of heading approximately 9 times faster than in-field visual inspection by humans. Leveraging an Efficiently Supervised Generative Adversarial Network (ESGAN) learning strategy reduced the requirement for human-annotated data by 1 to 2 orders of magnitude compared to traditional, fully supervised learning approaches. The ESGAN model learned the salient features of the data set by using thousands of unlabeled images to inform the discriminative ability of a classifier so that it required minimal human-labeled training data. This method can accelerate the phenotyping of heading date as a measure of flowering time in Miscanthus across diverse contexts (e.g. in multistate trials) and opens avenues to promote the broad adoption of ML tools.

Varela, Sebastian↗

Thermodynamic modeling of the U 3 O 8-x solid solution phase

It is important to accurately characterize the equilibrium behavior of U 3 O 8 during UO 2 nuclear fuel fabrication as the determination of the oxygen to uranium ratio in UO 2 powders and pellets is dependent on U 3 O 8 stoichiometry. Prior thermodynamic modeling efforts have treated U 3 O 8 as stoichiometric; however, it is experimentally known that the phase exhibits hypostoichiometric behavior at temperatures >850 K. The goal of this work was to model U 3 O 8 as a solid solution using the compound energy formalism and optimize the model to experimental data according to the CALPHAD methodology. Results of the U 3 O 8-x model assessment were visualized by recalculating the previously assessed U–O binary phase diagram replacing a stoichiometric representation of U 3 O 8 with a U 3 O 8-x solid solution model. Moreover, a recommendation is made to revise the U 3 O 8 to U conversion factor used in the ASTM C 1453 standard based on the literature and updated thermodynamic representation for U 3 O 8-x presented in this work.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Updated resources for exploring experimentally-determined PDB structures and Computed Structure Models at the RCSB Protein Data Bank

The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB, RCSB.org), the US Worldwide Protein Data Bank (wwPDB, wwPDB.org) data center for the global PDB archive, provides access to the PDB data via its RCSB.org research-focused web portal. We report substantial additions to the tools and visualization features available at RCSB.org, which now delivers more than 227000 experimentally determined atomic-level three-dimensional (3D) biostructures stored in the global PDB archive alongside more than 1 million Computed Structure Models (CSMs) of proteins (including models for human, model organisms, select human pathogens, crop plants and organisms important for addressing climate change). In addition to providing support for 3D structure motif searches with user-provided coordinates, new features highlighted herein include query results organized by redundancy-reduced Groups and summary pages that facilitate exploration of groups of similar proteins. Newly released programmatic tools are also described, as are enhanced training opportunities.

Burley, Stephen K.↗

becquerel (bq) v0.4.0

Becquerel is a Python package for analyzing nuclear spectroscopic measurements. The core functionalities are reading and writing different spectrum file types, fitting spectral features, rebinning spectrum counts to different bin edges, performing detector calibrations and interpreting measurement results. It also includes tools for visualizing radiation spectra and fits of different spectral features, as well as convenient access to tabulated nuclear data both from remote servers and local caches. It relies heavily on the standard scientific Python stack of numpy, scipy, matplotlib, pandas, and numba. It is intended to be general-purpose enough that it can be useful to anyone from an undergraduate taking a laboratory course to the advanced

Bandstra, Mark↗

becquerel (bq) v0.7.0

Becquerel is a Python package for analyzing nuclear spectroscopic measurements. The core functionalities are reading and writing different spectrum file types, fitting spectral features, rebinning spectrum counts to different bin edges, performing detector calibrations and interpreting measurement results. It also includes tools for visualizing radiation spectra and fits of different spectral features, as well as convenient access to tabulated nuclear data both from remote servers and local caches. It relies heavily on the standard scientific Python stack of numpy, scipy, matplotlib, pandas, and numba. It is intended to be general-purpose enough that it can be useful to anyone from an undergraduate taking a laboratory course to the advanced researcher.

Bandstra, Mark [Lawrence Berkeley National Laborat↗

An Interactive Spectral Analysis Tool for Chemical Identification and Quantification of Gas-Phase Species in Complex Spectra

A spectral analysis tool has been developed to interactively identify and quantify individual gas-phase species from complex infrared absorbance spectra obtained from laboratory or field data. The SpecQuant program has an intuitive graphical interface that accommodates both reference and experimental data with varying resolution and instrumental lineshape, as well as algorithms to readily align the wavenumber axis of a sample spectrum with the raster of a reference spectrum. Using a classical least squares model in conjunction with reference spectra such as those from the Pacific Northwest National Laboratory (PNNL) gas-phase infrared database or simulated spectra derived from the HITRAN line-by-line database, the mixing ratio of each identified species is determined along with its associated estimation error. After correcting the wavelength and intensity of the field data, SpecQuant displays the calculated mixing ratio versus the experimental data for each analyte along with the residual spectrum with any or all analyte fits subtracted for visual inspection of the fit and residuals. The software performance for multianalyte quantification was demonstrated using moderate resolution (0.5 cm –1 ) infrared spectra that were collected during the time-resolved infrared photolysis of methyl iodide.

Thompson, Christopher J.↗

Scalable, resilient, and configurable permissioned blockchain fabric

With the advent of Bitcoin, the interest of the database community in blockchain systems has steadily grown. Many existing blockchain applications use blockchains as a platform for monetary transactions, however. We deviate from this philosophy and present ResilientDB, which can serve in a suite of non-monetary data-processing blockchain applications. Our ResilientDB uses state-of-the-art technologies and includes a novel visualization that helps in monitoring the state of the blockchain application.

97 MATHEMATICS AND COMPUTING↗

Exploring Wholesale Energy Price Trends: The Renewables and Wholesale Electricity Prices (ReWEP) tool (Ver. 2024.1)

The Renewables and Wholesale Electricity Prices (ReWEP) visualization tool from Berkeley Lab has been updated with nodal electricity pricing and wind and solar generation data through the end of 2023. ReWEP users can explore trends in wholesale electricity prices and their relationship to wind and solar generation. ReWEP includes nodal pricing trends across locations, regions, and different timeframes. The tool consists of maps, time series, and other interactive figures that provide: (1) a general overview of how average pricing, negative price frequency, and extreme high prices vary over time, and (2) a summary of how pricing patterns are related to wind and solar generation. Interactive functionality allows investigation by year, season, time of day, and region, where region is defined as the Independent System Operators (ISO) or Regional Transmission Organizations (RTO) region. ReWEP also contains prices throughout much of the western United States from the Western Energy Imbalance Market and the Western Energy Imbalance Service Market.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Exploring Wholesale Energy Price Trends: The Renewables and Wholesale Electricity Prices (ReWEP) tool (Ver. 2024.1)

The Renewables and Wholesale Electricity Prices (ReWEP) visualization tool from Berkeley Lab has been updated with nodal electricity pricing and wind and solar generation data through the end of 2023. ReWEP users can explore trends in wholesale electricity prices and their relationship to wind and solar generation. ReWEP includes nodal pricing trends across locations, regions, and different timeframes. The tool consists of maps, time series, and other interactive figures that provide: (1) a general overview of how average pricing, negative price frequency, and extreme high prices vary over time, and (2) a summary of how pricing patterns are related to wind and solar generation. Interactive functionality allows investigation by year, season, time of day, and region, where region is defined as the Independent System Operators (ISO) or Regional Transmission Organizations (RTO) region. ReWEP also contains prices throughout much of the western United States from the Western Energy Imbalance Market and the Western Energy Imbalance Service Market.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

CRADA Number NFE-24-10110 with Qubit Engineering Inc. (CRADA Final Report)

Over the past year, the Qubit Engineering team has pushed the frontiers of power‑grid optimization, working in close collaboration with Oak Ridge National Laboratory (ORNL) and the Tennessee Valley Authority (TVA). Their progress is reflected in three newly submitted conference papers, “Unified Relational GNN Architecture for AC Optimal Power Flow Calculations in Electric Grids,” “Graph‑Based Attention Mechanisms for Solving the AC Optimal Power Flow Problem in Electrical‑Power Networks,” and “Enhanced Power‑Grid Maintenance Planning and Quantum‑Inspired Combinatorial Prospects.” These publications showcase state‑of‑the‑art graph‑neural‑network methods for AC‑OPF and novel quantum‑inspired heuristics for maintenance scheduling. Beyond the academic results, the Qubit team has converted the research into two production‑grade tools built on TVA data: Neuro‑Grid, an AI‑driven power‑flow simulator that provides instant, interactive full‑grid load‑flow visualizations, and Quanta‑Grid, a quantum‑inspired maintenance‑scheduling engine to support logistics optimization for power utilities. Together, these advances demonstrate how Qubit’s partnership with ORNL and TVA is delivering practical, physics‑grounded analytics for next‑generation grid management.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Measurement report: Vertically resolved atmospheric properties observed over the Southern Great Plains with the ArcticShark uncrewed aerial system

Abstract. This study presents the unique capability of the Department of Energy (DOE) ArcticShark – a mid-size fixed-wing uncrewed aerial system (UAS) – for measuring vertically resolved atmospheric properties over the Southern Great Plains (SGP) of the United States. Focusing on atmospheric states, such as ambient temperature, wind, and aerosol properties, we overview measurements from 32 research flights (∼ 97 flight hours) in 2023. The August operations, aided by a visual observer on a chase plane, allowed for extensive UAS coverage, surpassing typical UAS operation envelopes. Our data from March, June, and August 2023 reveal distinctive seasonal patterns within the atmospheric column through unique chemical composition measurements. In situ measurements combined with remote sensing retrievals and radiosonde measurements provided valuable insights into their consistency and complementarity. Furthermore, we demonstrate the capabilities of the ArcticShark through several case studies, including the analyses of correlations between UAS-derived atmospheric profiles and conventional radiosonde measurements, as well as the derivation of vertically resolved profiles of aerosol chemical, optical, and microphysical properties. These case studies highlight the versatility of the ArcticShark UAS as a powerful tool for comprehensive atmospheric research, effectively bridging data gaps and enhancing our understanding of vertical atmospheric structures in the region.

54 ENVIRONMENTAL SCIENCES↗

Raptor

Raptor is an efficient Python-based tool for predicting the formation and morphology of stochastic lack of fusion defects in metal AM processes. A major obstacle for the qualification and certification of additively manufactured parts in critical applications continues to be performance variability caused in part by porosity-related defects. High-fidelity process models that could predict these defect features are currently too computationally expensive for component-level analysis. To address this, Raptor employs a high-performance geometric method to model the dynamic melt pool rather than relying on computationally intensive thermal fluid dynamics. This allows Raptor to rapidly identify regions of unmelted material that correspond to lack of fusion pores. The efficiency of this approach significantly reduces the time and resources needed for generating 3D defect predictions, which enables users to conduct large-scale parameter studies and evaluate how process variations affect part quality. The framework offers operational flexibility; users can execute simulations through a simple command line interface or integrate core functions as a library within larger computational workflows. Simulation outputs include 3D porosity maps for visualization and tools for quantitative morphological analysis. These results are suitable for direct comparison with experimental characterization data from methods such as X-ray computed tomography and can be used for statistical process optimization.

Subraveti, Vamsi [Vanderbilt Univ., Nashville, TN ↗

Evaluation of Geologic Carbon Storage Resource Estimates (SREs) of Cambrian Ordovician Units within the CarbonSAFE Prefeasibility Study Region Subtasks 4.2 and 4.3 – Topical Report

This report by the Indiana Geological & Water Survey (IGWS) assessed the storage resource estimate (SRE) of Cambrian-Ordovician stratigraphic units located within the CarbonSAFE prefeasibility area within the Illinois Basin. A comprehensive data set of wireline logs and petrophysical information was used. These data include core analysis for porosity and permeability, and existing well data including location and stratigraphic information. This report includes storage resource estimates (SREs) for four potential storage reservoirs (Upper Ordovician Trenton Limestone/Black River Group, Middle Ordovician St. Peter Sandstone, Lower Ordovician and Upper Cambrian Knox Supergroup, including a separate assessment for the lower Knox Potosi Dolomite. The resultant SREs volumes are displayed using georeferenced maps and boxplots. The latter allow for comparing data statistics (mean values and variability) between five methods employed for the SRE calculations. Differences observed in SRE results from the five methods are mainly attributable to differences in the data used for porosity in each method. ArcMap 10.5.1 software was used to portray SREs to help visualize spatial variance of estimates for each methodology, and more importantly, to highlight those areas having the greatest total storage potential estimates.

01 COAL, LIGNITE, AND PEAT↗

MTUQ: a framework for estimating moment tensors, point forces, and their uncertainties

SUMMARY We introduce MTUQ, an open-source Python package for seismic source estimation and uncertainty quantification, emphasizing flexibility and operational scalability. MTUQ provides MPI-parallelized grid search and global optimization capabilities, compatibility with 1-D and 3-D Green’s function database formats, customizable data processing, C-accelerated waveform and first-motion polarity misfit functions, and utilities for plotting seismic waveforms and visualizing misfit and likelihood surfaces. Applicability to a range of full- and constrained-moment tensor, point force, and centroid inversion problems is possible via a documented application programming interface, accompanied by example scripts and integration tests. We demonstrate the software using three different types of seismic events: (1) a 2009 intraslab earthquake near Anchorage, Alaska; (2) an episode of the 2021 Barry Arm landslide in Alaska; and (3) the 2017 Democratic People’s Republic of Korea underground nuclear test. With these events, we illustrate the well-known complementary character of body waves, surface waves, and polarities for constraining source parameters. We also convey the distinct misfit patterns that arise from each individual data type, the importance of uncertainty quantification for detecting multimodal or otherwise poorly constrained solutions, and the software’s flexible, modular design.

58 GEOSCIENCES↗

Classifying Radio Galaxies with the Convolutional Neural Network

We present the application of a deep machine learning technique to classify radio images of extended sources on a morphological basis using convolutional neural networks (CNN). In this study, we have taken the case of the Fanaroff–Riley (FR) class of radio galaxies as well as radio galaxies with bent-tailed morphology. We have used archival data from the Very Large Array (VLA)—Faint Images of the Radio Sky at Twenty Centimeters survey and existing visually classified samples available in the literature to train a neural network for morphological classification of these categories of radio sources. Our training sample size for each of these categories is ∼200 sources, which has been augmented by rotated versions of the same. Our study shows that CNNs can classify images of the FRI and FRII and bent-tailed radio galaxies with high accuracy (maximum precision at 95%) using well-defined samples and a “fusion classifier,” which combines the results of binary classifications, while allowing for a mechanism to find sources with unusual morphologies. The individual precision is highest for bent-tailed radio galaxies at 95% and is 91% and 75% for the FRI and FRII classes, respectively, whereas the recall is highest for FRI and FRIIs at 91% each, while the bent-tailed class has a recall of 79%. These results show that our results are comparable to that of manual classification, while being much faster. Finally, we discuss the computational and data-related challenges associated with the morphological classification of radio galaxies with CNNs.

79 ASTRONOMY AND ASTROPHYSICS↗

ILLICIT TRANSIT INTERDICTION GLOBAL ANALYSIS

This study aims to enhance the security of radioactive materials during transport by analyzing commonalities in cargo thefts conducted by non-state groups such as thieves and terrorists. This research focuses on identifying patterns and trends in the methods used to steal high-value cargo, with the goal of applying these insights to improve transport security of radioactive materials. Key questions addressed include the frequency of specific tools, techniques, and insider involvement in thefts, as well as the use of weapons, electronic jamming equipment, and specialized tools. Findings will inform security design improvements and industry practices to mitigate vulnerabilities. The study involves a comprehensive review of literature and case studies, utilizing data sources from 2018 to 2023. Articles will be selected based on their relevance to thefts of valuable cargo in transit, with a focus on incidents involving non-state actors. The methodology will include statistical and inferential analysis to identify trends, with results visualized through pie charts, frequency analyses, and terrain maps. The discussion will highlight the implications of findings and provide actionable recommendations for strengthening security measures. Limitations such as data availability and reporting inconsistencies will be acknowledged. Suggestions for future improvements will be constructed using existing case studies and expert feedback. The study’s outcomes aim to raise awareness within the industry, inform policy decisions, and enhance security protocols for radioactive material transport. Metrics for impact include the potential publication of findings, presentations at conferences to raise awareness, and the subsequent actions taken by stakeholders based on the research. By identifying trends and vulnerabilities and suggesting improvements, this research contributes to preventing the illicit use of nuclear and radiological materials.

Zineddin, Dr. Z. [ORNL] (ORCID:0009000848740725)↗

Understanding the Hierarchy of Dense Subgraphs in Stationary and Temporally Varying Setting

Graphs are widely used to model relationships in a wide variety of domains such as sociology, bioinformatics, infrastructure, the WWW, to name a few. One of the key observations is that while real-world graphs are often globally sparse, they are locally dense. In other words, the average degree is often quite small (say at most 10 in a million vertex graph), but vertex neighborhoods are often dense. Finding dense subgraphs is a critical aspect of graph mining It has been used for finding communities and spam link farms in web graphs, graph visualization, real-time story identification, DNA motif detection in biological networks, finding correlated genes, epilepsy prediction, finding price value motifs in financial data, graph compression, distance query indexing, and increasing the throughput of social networking site servers. However, most standard formulations of this problem (like clique, quasi-clique, k-densest subgraph) are NP-hard. Furthermore, current dense subgraph finding algorithms usually optimize some objective, and only find a few such subgraphs without providing any structural relations, whereas the goal is rarely to find the "true optimum," but to identify many (if not all) dense substructures, understand their distribution in the graph, and ideally determine relationships among them. In this project, we first aim to devise algorithms and provide 3 implementations with nice visualizations to find the hierarchy between dense subgraphs, and then understand the structure of the hierarchy to gain more insight on the hidden patterns in real-world networks. Another important aspects in graph analysis is the temporal nature of networks. Networks evolve over time and in many applications data arrives at a high velocity, and thus it is important to design algorithms that can process data efficiently. We report three main results towards identifying dense structures in large evolving graphs. First, we will show how the hierarchical connectedness structure can be maintained efficiently, where connectedness is defined by increasing levels of connectivity strength. Next, we present dense structure can be identified in bipartite graphs without building projection graphs. And finally, we present a new method for peeling algorithms This new approach avoids sequential nature of peeling algorithms and is amenable to parallelization, which is crucial for processing high velocity data.

97 MATHEMATICS AND COMPUTING↗

Beyond PCA: Additional Dimension Reduction Techniques to Consider in the Development of Climate Fingerprints

Abstract Dimension reduction techniques are an essential part of the climate analyst’s toolkit. Due to the enormous scale of climate data, dimension reduction methods are used to identify major patterns of variability within climate dynamics, to create compelling and informative visualizations, and to quantify major named modes such as El Niño–Southern Oscillation. Principal components analysis (PCA), also known as the method of empirical orthogonal functions (EOFs), is the most commonly used form of dimension reduction, characterized by a remarkable confluence of attractive mathematical, statistical, and computational properties. Despite its ubiquity, PCA suffers from several difficulties relevant to climate science: high computational burden with large datasets, decreased statistical accuracy in high dimensions, and difficulties comparing across multiple datasets. In this paper, we introduce several variants of PCA that are likely to be of use in climate sciences and address these problems. Specifically, we introduce non-negative , sparse , and tensor PCA and demonstrate how each approach provides superior pattern recognition in climate data. We also discuss approaches to comparing PCA-family results within and across datasets in a domain-relevant manner. We demonstrate these approaches through an analysis of several runs of the E3SM climate model from 1991 to 1995, focusing on the simulated response to the Mt. Pinatubo eruption; our findings are consistent with a recently identified stratospheric warming fingerprint associated with this type of stratospheric aerosol injection.

Weylandt, Michael↗