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At least 451 records · Page 25

Weakly Supervised Event Classification Using Imperfect Real-world PMU Data with Scarce Labels

This paper studies event classification using imperfect real-world phasor measurement unit (PMU) data with scarce event types (labels). By investigating the real-world PMU data, it is observed that most real-world PMU data's event type is unknown, which makes it challenging to directly use such dataset to build event classifiers as existing classification techniques require high-quality training data with known event type (i.e., label). To address this challenge, a weakly supervised learning based event classification approach is developed, which can use noisy and low-quality PMU data for the training. First, data quality issues are fixed using data preprocessing techniques and then event features are constructed from the PMU data. Using these features, a series of labeling functions are learnt to generate initial estimates of the labels of large amounts of unlabeled PMU data. As the labeling functions are learnt using the same data with scarce labels, the label estimates from the labeling functions can be correlated, noisy, and bias. To enhance these initial estimates, a generative model is developed to characterize the dependencies among the estimated labels, based on which better labels are obtained for training event classifiers. Numerical experiments using the real-world dataset from the Western Interconnection of the U.S. power transmission grid show that the proposed weakly supervised event classifier trained using the dataset with only 5% labeled data can achieve 78.4% classification accuracy.

Liu, Yunchuan↗

Making Invisible Visible: Data-Driven Seismic Inversion With Spatio-Temporally Constrained Data Augmentation

Deep learning and data-driven approaches have shown great potential in scientific domains. The promise of data-driven techniques relies on the availability of a large volume of high-quality training datasets. Due to the high cost of obtaining data through expensive physical experiments, instruments, and simulations, data augmentation techniques for scientific applications have emerged as a new direction for obtaining scientific data recently. However, existing data augmentation techniques originating from computer vision yield physically unacceptable data samples that are not helpful for the domain problems that we are interested in. In this article, we develop new data augmentation techniques based on convolutional neural networks. Specifically, our generative models leverage different physics knowledge (such as governing equations, observable perception, and physics phenomena) to improve the quality of the synthetic data. To validate the effectiveness of our data augmentation techniques, we apply them to solve a subsurface seismic full-waveform inversion using simulated CO 2 leakage data. Our interest is to invert for subsurface velocity models associated with very small CO 2 leakage. We validate the performance of our methods using comprehensive numerical tests. Here via comparison and analysis, we show that data-driven seismic imaging can be significantly enhanced by using our data augmentation techniques. Particularly, the imaging quality has been improved by 15% in test scenarios of general-sized leakage and 17% in small-sized leakage when using an augmented training set obtained with our techniques.

58 GEOSCIENCES↗

Identification of short-range ordering motifs in semiconductors

Chemical short-range ordering is expected to be a key factor for tuning the electronic structure of semiconductors. However, experimental evidence of short-range ordering is still lacking due to the challenge of characterizing atomic-scale ordering motifs. Here, we determined the presence of short-range order in a ternary GeSiSn semiconductor system using advanced energy-filtered four-dimensional scanning transmission electron microscopy and large-scale atomistic models generated by a machine learning neuroevolution potential of first-principles accuracy. This approach revealed preferred ordering of different atomic species with the dominant occurrence of Si–Ge–Sn triplets. Our findings not only confirmed the presence of short-range order but also directly revealed the actual atomic structure, demonstrating the potential for informed atomic order–based band engineering as a third degree of freedom beyond composition and strain tuning.

Vogl, Lilian M. [University of California Berkeley↗

ProteinTuneRL

ProteinTuneRL is a framework designed to harness the power of reinforcement learning for advanced protein design. The project enables fine-tuning of generative models to explore and optimize protein sequences with tailored structural and functional properties.

Landajuela Larma, Mikel [Lawrence Livermore Nation↗

GAN-BH

Generative Modeling for Black Hole Astrophysics

Lim, Hyun [Los Alamos National Laboratory]↗

CalyxFlow

CalyxFlow is a lightweight agentic artificial intelligent workflow. This workflow demonstrates the use of AI LLMs to generate modeling and simulation inputs for a scientific simulation and manage execution and analysis of a suite of simulations.

Shipman, Galen↗

Diabatic Eddy Forcing Increases Persistence and Opposes Propagation of the Southern Annular Mode in MERRA-2

Abstract As a dominant mode of jet variability on subseasonal time scales, the Southern Annular Mode (SAM) provides a window into how the atmosphere can produce internal oscillations on longer-than-synoptic time scales. While SAM’s existence can be explained by dry, purely barotropic theories, the time scale for its persistence and propagation is set by a lagged interaction between barotropic and baroclinic mechanisms, making the exact physical mechanisms challenging to identify and to simulate, even in latest generation models. By partitioning the eddy momentum flux convergence in MERRA-2 using an eddy–mean flow interaction framework, we demonstrate that diabatic processes (condensation and radiative heating) are the main contributors to SAM’s persistence in its stationary regime, as well as the key for preventing propagation in this regime. In SAM’s propagating regime, baroclinic and diabatic feedbacks also dominate the eddy–jet feedback. However, propagation is initiated by barotropic shifts in upper-level wave breaking and then sustained by a baroclinic response, leading to a roughly 60-day oscillation period. This barotropic propagation mechanism has been identified in dry, idealized models, but here we show evidence of this mechanism for the first time in reanalysis. The diabatic feedbacks on SAM are consistent with modulation of the storm-track latitude by SAM, altering the emission temperature and cloud cover over individual waves. Therefore, future attempts to improve the SAM time scale in models should focus on the storm-track location, as well as the roles of the cloud and moisture parameterizations. Significance Statement As they circumnavigate the planet, the tropospheric jet streams slowly drift north and south over about 30 days, longer than the normal limit of weather prediction. Understanding the source of this “memory” could improve our knowledge of how the atmosphere organizes itself and our ability to make long-term forecasts. Current theories have identified several possible internal atmospheric interactions responsible for this memory. Yet most of the theories for understanding the jets’ behavior assume that this behavior is only weakly influenced by atmospheric water vapor. We show that this assumption is not enough to understand jet persistence. Instead, clouds and precipitation are more important contributors in reanalysis data than internal “dry” mechanisms to this memory of the Southern Hemisphere jet.

54 ENVIRONMENTAL SCIENCES↗

The Essential Role of Westerly Wind Bursts in ENSO Dynamics and Extreme Events Quantified in Model “Wind Stress Shaving” Experiments

Abstract Westerly wind bursts (WWBs)—brief but strong westerly wind anomalies in the equatorial Pacific—are believed to play an important role in El Niño–Southern Oscillation (ENSO) dynamics, but quantifying their effects is challenging. Here, we investigate the cumulative effects of WWBs on ENSO characteristics, including the occurrence of extreme El Niño events, via modified coupled model experiments within Community Earth System Model (CESM1) in which we progressively reduce the impacts of wind stress anomalies associated with model-generated WWBs. In these “wind stress shaving” experiments we limit momentum transfer from the atmosphere to the ocean above a preset threshold, thus “shaving off” wind bursts. To reduce the tropical Pacific mean state drift, both westerly and easterly wind bursts are removed, although the changes are dominated by WWB reduction. As we impose progressively stronger thresholds, both ENSO amplitude and the frequency of extreme El Niño decrease, and ENSO becomes less asymmetric. The warming center of El Niño shifts westward, indicating less frequent and weaker eastern Pacific (EP) El Niño events. Removing most wind burst–related wind stress anomalies reduces ENSO mean amplitude by 22%. The essential role of WWBs in the development of extreme El Niño events is highlighted by the suppressed eastward migration of the western Pacific warm pool and hence a weaker Bjerknes feedback under wind shaving. Overall, our results reaffirm the importance of WWBs in shaping the characteristics of ENSO and its extreme events and imply that WWB changes with global warming could influence future ENSO.

Meteorology & Atmospheric Sciences↗

Attribution of North American Subseasonal Precipitation Prediction Skill

The skill of NOAA’s official monthly U.S. precipitation forecasts (issued in the middle of the prior month) has historically been low, having shown modest skill over the southern United States, but little or no skill over large portions of the central United States. The goal of this study is to explain the seasonal and regional variations of the North American subseasonal (weeks 3–6) precipitation skill, specifically the reasons for its successes and its limitations. The performances of multiple recent-generation model reforecasts over 1999–2015 in predicting precipitation are compared to uninitialized simulation skill using the atmospheric component of the forecast systems. This parallel analysis permits attribution of precipitation skill to two distinct sources: one due to slowly evolving ocean surface boundary states and the other to faster time-scale initial atmospheric weather states. A strong regionality and seasonality in precipitation forecast performance is shown to be analogous to skill patterns dictated by boundary forcing constraints alone. The correspondence is found to be especially high for the North American pattern of the maximum monthly skill that is achieved in the reforecast. The boundary forcing of most importance originates from tropical Pacific SST influences, especially those related to El Niño–Southern Oscillation. Furthermore, we discuss physical constraints that may limit monthly precipitation skill and interpret the performance of existing models in the context of plausible upper limits.

54 ENVIRONMENTAL SCIENCES↗

Generalizable, fast, and accurate DeepQSPR with fastprop

Abstract Quantitative Structure–Property Relationship studies (QSPR), often referred to interchangeably as QSAR, seek to establish a mapping between molecular structure and an arbitrary target property. Historically this was done on a target-by-target basis with new descriptors being devised to specifically map to a given target. Today software packages exist that calculate thousands of these descriptors, enabling general modeling typically with classical and machine learning methods. Also present today are learned representation methods in which deep learning models generate a target-specific representation during training. The former requires less training data and offers improved speed and interpretability while the latter offers excellent generality, while the intersection of the two remains under-explored. This paper introduces , a software package and general Deep-QSPR framework that combines a cogent set of molecular descriptors with deep learning to achieve state-of-the-art performance on datasets ranging from tens to tens of thousands of molecules. provides both a user-friendly Command Line Interface and highly interoperable set of Python modules for the training and deployment of feedforward neural networks for property prediction. This approach yields improvements in speed and interpretability over existing methods while statistically equaling or exceeding their performance across most of the tested benchmarks. is designed with Research Software Engineering best practices and is free and open source, hosted at github.com/jacksonburns/fastprop.

Burns, Jackson W. (ORCID:0000000206579426)↗

High-dimensional maximum-entropy phase space tomography

Reconstructing 4D or 6D phase space distributions from 1D or 2D measurements is a challenging inverse problem encountered in particle accelerators. Entropy maximization is an established method to incorporate prior information in the reconstruction, but it is typically infeasible in high-dimensional spaces. In this paper, I review two recent approaches to high-dimensional entropy maximization. The first approach utilizes differentiable simulations and a class of generative models known as normalizing flows, whereas the second approach employs the method of Lagrange multipliers and Markov Chain Monte Carlo (MCMC) sampling. My aim is to provide a short explanation of each method using a common notation. I conclude by mentioning several unsolved problems in phase space tomography.

Hoover, Austin [ORNL] (ORCID:0000000153136962)↗

Monte Carlo Simulation of Background and Source Measurements with CSG and CAD Geometries

Detecting radioactive sources in an urban environment is difficult due to the large magnitude and variability of the background radiation. To support the search mission of the National Nuclear Security Administration, a project was undertaken to determine if first-principles modeling and simulation could be used to accurately predict the response of radiation detectors in urban environments. This study demonstrates that the simulated detector responses to photon radiation from both an isotopic source and the background compare well to benchmark-quality measurements in a large urban-like test environment. Simulation results using a traditional combinatorial solid geometry and a CAD model generated from LiDAR measurements gave very similar detector responses. With this validation, further simulations could be used to predict detector responses for various situations in real urban settings.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

SWP Summary Report for Individual Legacy Well Leakage Risk Analysis at Farnsworth Unit Site: Open Well Scenario

This report summarizes results of the individual legacy well leakage risk analysis of the Farnsworth Unit site (FWU) for Open Well scenario. NRAP tools Integrated Assessment Model for Carbon Storage (NRAP-IAM-CS) and Reservoir Reduced-Order Model Generator (RROMGen) were used (Dilmore et al., 2016; Pawar et al., 2016; King, 2016). This is part one of the additional analysis addressing SWP BP4 Subtask 7.4.1.2: Extend quantitative brine and CO2 leakage calculations (Chu et al., 2020).

58 GEOSCIENCES↗

Considerations for Developing a Regulatory Roadmap for Distributed Energy Resource (DER) Integration in Colombia

The USAID-NREL Partnership in Colombia, in conjunction with SURE and USEA, selected four action plan teams from the Young Professionals Leadership Program to receive tailored NREL technical assistance to support action plan implementation. The four plans selected represent various aspects associated with planning for the efficient integration of DERs, including electric mobility, residential and commercial energy applications, distributed generation modeling, and regulatory considerations. In response to national grid modernization, decentralization, digitalization, and electrification trends, CREG is looking to update Colombia's electric distribution code, with an emphasis on the integration of electric vehicles and charging stations, but also energy storage systems, non-conventional sources of renewable energy, and other distributed energy resources (DERs). CREG aims to establish the general steps that must be carried out to update the distribution code for the integration of DERs, with a view to the design and development of new markets. The objective of the TA provided to CREG was to support them in identifying and outlining the general processes and approaches to consider when updating Colombia's distribution code for the integration of electric vehicles, distributed renewable energy systems, and energy storage systems, with a view to the design and development of new markets.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Artificial Intelligence for Accelerating Nuclear Applications, Science, and Technology

Artificial intelligence (AI) and machine learning (ML) methods have had significant impacts in science and technology in recent years. These methods for generating models from datasets or logic-based algorithms that emulate aspects of human performance can similarly accelerate the fields of nuclear applications, science, and technology toward the IAEA goals of contributing to peace, health, and prosperity. In order to accomplish advances with AI in general and ML in particular across these fields, IAEA can play a significant role by establishing, hosting and curating centralised resources, including databases, adhering to FAIR (findable, accessible, interoperable and reusable) principles and Open Science best practices, providing stewardship of data sharing, supporting training efforts and development of relevant workforces, as well as enabling connections among the scientific, technology, mathematics, AI and ethics communities. Many areas can benefit from the use of AI in the realm of nuclear applications. In human health, these areas include clinical research, epidemiology, nutrition, medical imaging, radiotherapy and education of health professionals. AI-based tools are also being used to facilitate different clinical tasks in imaging, computer-assisted diagnosis in mammography and lung cancer screening programmes, and dose prediction in nuclear medicine procedures. ML methods in particular may also increase the efficiency and accuracy of the analysis of computerised tomography and dual-energy absorptiometry scans for body composition and bone analysis. The application of AI methods to nuclear and related technologies in food and agriculture can lead to significant advances and improved efficiency in the optimisation of agricultural production, food product development, management of supply chains, food safety and food authenticity control. In the water and environmental sector, AI can help inform policies to mitigate the world’s water problems. The application of AI techniques to hydrology and environmental sciences is expected to improve patterns identification and enable model predictions under a changing climate.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Initial OpenStudio Profiling Results

OpenStudio’s performance has not historically been an area of much work, but as it has successfully replaced ad hoc model generation solutions, the performance of the software is more and more central to continuing success. This report describes an initial effort to profile OpenStudio, describes the problems encountered, the solutions to those problems, and some early recommendations for further work should funding become available. The approach taken here is to use special software, referred to as profilers, to assess the code and how it executes. This approach is more appropriate for this kind of software than the checkpoint-style timing that is often done with numerical codes. Profiling was most successful on the MacOS platform, where Apple’s Instruments software was able to decipher the complexities of OpenStudio’s command line execution of a workflow. Even with the limited exploration of performance done here, the team quickly ran into limitations imposed on the code by the stateless architecture, and the team recommends an evaluation of this architecture as a good next step to improve performance.

97 MATHEMATICS AND COMPUTING↗

Results from an Aeromagnetic Survey to Detect Steel-Cased Wells at a Marcellus Shale Well Site in Washington County, Pennsylvania

Pennsylvania has a 150-year history of oil and gas production—the longest of any state—and this enduring activity has resulted in the drilling of more than 300,000 recorded wells. However, unknown wells likely exist because innumerable wells were drilled during Pennsylvania’s intense early oil and gas history when incomplete records were kept of well locations. There is concern that early wells are likely to be ineffectively sealed because there were no laws that required plugging when the wells were abandoned. Today, many undocumented and unplugged wells are thought to be in areas of emerging shale gas and shale oil development where open wellbores can provide a pathway for undesired upward migration of fluids and gas from hydraulically fractured reservoirs. Due to this concern, Pennsylvania regulators have asked operators to locate orphaned and abandoned wells within a 1,000-ft buffer of proposed new wells. The objective of this report is to demonstrate that high-resolution aeromagnetic surveys, historic air photos, and Light Detection and Ranging (LiDAR) imagery can be rapid and effective methods to reconnoiter large, forested areas of moderate terrain for the presence of abandoned wells. These well-finding methods were evaluated at a proposed Marcellus Shale gas drilling site in Washington County, Pennsylvania, where the methods collectively located 18 confirmed wells: 15 wells were identified from aeromagnetic surveys, two wells were identified from inspection of historical air photos, and one well was identified by evaluation of state-wide LiDAR imagery. Only six wells were previously known, and their locations, as recorded in Pennsylvania’s statewide oil and gas wells database (PA/IRIS/WIS), were often too inaccurate for the wells to be found in the dense underbrush. Twelve wells identified in this study were abandoned, unmarked, and undocumented. Aeromagnetic surveys locate wells by detecting the unique magnetic signature of vertical, steel well casing, which is depicted on magnetic maps as a “bull’s eye” type anomaly that is centered directly over the well. However, when wells were drilled and found to be sub-economic, their casing was sometimes pulled and salvaged for reuse. Such wellbores provide no magnetic response and go undetected if all casing was removed. Oftentimes attempts to retrieve well casing were not 100% successful. For example, historical records for one well in the study area indicate that the well was completed in 1902 as a dry hole and that, to the extent possible, the casing was pulled for reuse. However, a section of 10-in. diameter steel casing was not recovered and remains at an unknown depth in the wellbore. This well was easily detected by the aeromagnetic survey although only deep casing remained in the well. To mitigate for the likelihood that wellbores exist where most or all casing has been removed, this study augmented aeromagnetic data with historic air photos and digital terrain models generated from LiDAR datasets—both databases are publicly available at no cost for areas within Pennsylvania. These complementary methods located three wells where the aeromagnetic anomaly, although present, was subtle and overlooked. Together, these methods determined accurate locations for six known wells within the study area and located 12 previously unknown wells. Although it is not certain that these methods successfully located all wells in the study area, the application of these methods does represent a significant improvement over relying on existing databases for well locations. For the Appendix to the report, see: https://www.netl.doe.gov/energy-analysis/details?id=b46c417a-7c9e-4d25-b810-e6248b0217f4</p>

04 OIL SHALES AND TAR SANDS↗