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At least 127 records · Page 7

Photometric redshift estimation with convolutional neural networks and galaxy images: Case study of resolving biases in data-driven methods

Deep-learning models have been increasingly exploited in astrophysical studies, but these data-driven algorithms are prone to producing biased outputs that are detrimental for subsequent analyses. In this work, we investigate two main forms of biases: class-dependent residuals, and mode collapse. We do this in a case study, in which we estimate photometric redshift as a classification problem using convolutional neural networks (CNNs) trained with galaxy images and associated spectroscopic redshifts. We focus on point estimates and propose a set of consecutive steps for resolving the two biases based on CNN models, involving representation learning with multichannel outputs, balancing the training data, and leveraging soft labels. The residuals can be viewed as a function of spectroscopic redshift or photometric redshift, and the biases with respect to these two definitions are incompatible and should be treated individually. We suggest that a prerequisite for resolving biases in photometric space is resolving biases in spectroscopic space. Experiments show that our methods can better control biases than benchmark methods, and they are robust in various implementing and training conditions with high-quality data. Our methods hold promises for future cosmological surveys that require a good constraint of biases, and they may be applied to regression problems and other studies that make use of data-driven models. Nonetheless, the bias-variance tradeoff and the requirement of sufficient statistics suggest that we need better methods and optimized data usage strategies.

79 ASTRONOMY AND ASTROPHYSICS↗

Mechanical Ventilation and Indoor Air Quality in Recently Constructed U.S. Homes in Marine and Cold-Dry Climates Data from Building America Project

Data were collected to characterize whole-house mechanical ventilation (WHMV) and indoor air quality (IAQ) in 55 homes in the Marine climate of Oregon and Cold-Dry climate of Colorado in the U.S. Sixteen homes were monitored for two weeks, with and without WHMV operating. Ventilation airflows; airtightness; time-resolved CO2, PM2.5 and radon; and time-integrated NO2, NOX and formaldehyde were measured. Participants provided information about IAQ-impacting activities, perceptions and ventilation use. All homes had operational cooktop ventilation and bathroom exhaust. Thirty homes had equipment that could meet the ASHRAE 62.2-2010 standard with continuous or controlled runtime and 34 had some WHMV operating as found. Thirty-five of 46 participants with WHMV reported they did not know how to operate it, and only half of the systems were properly labeled. Two-week homes had lower formaldehyde, radon, CO2, and NO (NOX-NO2) when operated with WHMV; and also had faster PM2.5 decays following indoor emission events. Overall IAQ satisfaction was similar in Oregon and Colorado, but more Colorado participants (19 vs. 3%) felt their IAQ could be improved and more reported dryness as a problem (58 vs. 14%). The collected data indicate that there are benefits of operating WHMV, even when continuous use may not be needed because outdoor pollutant concentrations are low and indoor sources do not present substantial challenges.

air quality↗

Automated Credibility Assessments of User Features in Scientific Software

Scientific software (SciSoft) is complex, often containing a mixture of production capabilities co-mingled with features under active research and development. Furthermore, SciSoft is often developed over decades by non-computer scientists who may not have a strong background in or prioritize software architecture design, testing, and quality (e.g., test coverage). These conditions lead to difficulty in understanding which software components or functions implement what user-facing features and therefore those features’ software quality pedigree. This lack of understanding poses challenges in assessing readiness and credibility of user features, and often relies on a SciSoft subject matter expert’s (SME) laborious investigation and assertion. This final report of a one-year Computing and Information Sciences Lab Directed Research and Development project presents a general framework for modeling SciSoft architecture as a direct relationship between user features and the software components/functions that implement them. Our approach leverages automated labeling of the SciSoft’s regression test suite and employs machine learning algorithms to construct the architecture model. We demonstrate this framework on the Solid Mechanics component of the SIERRA multi-physics engineering analysis suite developed at Sandia National Laboratories.

97 MATHEMATICS AND COMPUTING↗

AI Applications to Physics Experiments at Jefferson Lab

We survey how AI/ML is being deployed across Jefferson Lab's experimental and accelerator programs. In EPSCI, Hydra applies computer vision to automate real-time data-quality monitoring across all four experimental halls, replacing manual inspection of hundreds to thousands of histograms per shift. AIEC (AI Experiment Controls) uses ML to stabilize drift chamber gains and is now part of standard CEBAF production running, while AI Optimized Polarization (AIOP) targets autonomous control of polarized targets and photon beam angular alignment. In CASA, cavity fault classification models identify faulted cavities and trip types from waveform data with ~85% and ~78% agreement to labeled data, respectively, and are deployed in production; a separate effort applies LLMs and hybrid search to make the CEBAF operations logbook AI-ready. QCD-focused work includes transformer- and GAN-based generative models for particle-level event simulation, with distributed GAN training scaling studies on Polaris. Additional efforts span ML-on-FPGA for the EIC and a new Data Science Department coordinating anomaly detection, uncertainty quantification, and HPC-scalable ML lab-wide. Collectively, these projects illustrate AI's growing role in improving efficiency across JLab's nuclear physics mission.

Mei, Xinxin [Thomas Jefferson National Accelerator↗

Cleaned 5-Minute Resolution Air Quality and Meteorological Data from Nine TCEQ CAMS Sites in Houston, Texas (Nov 2021 – Oct 2022)

These data encompass 5-minute air monitoring and meteorological observations collected in the greater Houston, Texas metropolitan region, at nine (9) Continuous Ambient Monitoring Stations (CAMS) operated by the Texas Commission on Environmental Quality (TCEQ) between November 1, 2021 and October 31, 2022. The CAMS sites (CAMS 1, 8, 35, 45, 148, 403, 405, 410, and 1052) were chosen because their instrumentation includes measurements of PM2.5. These sites also provide continuous multi-parameter air-quality and meteorological measurements. Particulate matter (PM2.5, PM10) was sampled along with several trace gases, including ozone (O3), nitrogen oxides (NO, NO2, NOx), sulfur dioxide (SO2), and carbon monoxide (CO). The data set also contains standard surface meteorological parameters (temperature, humidity, pressure, wind speed, and wind direction). Several sites also include AutoGC-based measurements of volatile organic compounds (VOCs). Air monitoring instruments deployed at the selected sites comprise the following systems: BAM-1020 or TEOM (PM2.5), Thermo Scientific TEI 49i (O3), TEI 42i (NOx), and AutoGCs (VOCs). This data set is similar to the data included within the houairq5mX1.00 datastream, except for a few additional quality control steps. A systematic data cleaning and verification process was performed on the data set to ensure its quality and preparation for analysis. Removal of non-numeric status flags (e.g., [LIM], [QAS], [SPZ], [CAL], [PMA], [AQI], [SPN], [MAL]) was accomplished by employing rule-based string parsing to extract valid numerical values. Missing entries were set to -9999; however, invalid or anomalous values (e.g., 99999) were retained as originally reported by the TCEQ to preserve data provenance. The time sequence was verified for completeness, removal of duplicates, and uniformity at 5-minute intervals. Column labeling was standardized, and corresponding values were assessed for physical plausibility. All timestamps in the data set were reported in Coordinated Universal Time (UTC) as provided by the TCEQ. Further, the latitude and longitude coordinates were added for each CAMS site. A subset of the data (June 1–September 30, 2022) has been used in the following publication: Subba et al. 2025. “Implications of sea breeze circulations on boundary layer aerosols in the southern coastal Texas region.” EGUsphere 2025: 1–49, https://doi.org/10.5194/egusphere-2025-2659.

latitude↗

Stable parallel training of Wasserstein conditional generative adversarial neural networks

In this work, we propose a stable, parallel approach to train Wasserstein conditional generative adversarial neural networks (W-CGANs) under the constraint of a fixed computational budget. Differently from previous distributed GANs training techniques, our approach avoids inter-process communications, reduces the risk of mode collapse and enhances scalability by using multiple generators, each one of them concurrently trained on a single data label. The use of the Wasserstein metric also reduces the risk of cycling by stabilizing the training of each generator. We illustrate the approach on the CIFAR10, CIFAR100, and ImageNet1k datasets, three standard benchmark image datasets, maintaining the original resolution of the images for each dataset. Performance is assessed in terms of scalability and final accuracy within a limited fixed computational time and computational resources. To measure accuracy, we use the inception score, the Fréchet inception distance, and image quality. An improvement in inception score and Fréchet inception distance is shown in comparison to previous results obtained by performing the parallel approach on deep convolutional conditional generative adversarial neural networks as well as an improvement of image quality of the new images created by the GANs approach. Weak scaling is attained on both datasets using up to 2000 NVIDIA V100 GPUs on the OLCF supercomputer Summit.

97 MATHEMATICS AND COMPUTING↗

Machine Learning Automated Analysis of Enormous Synchrotron X-ray Diffraction Datasets

X-ray diffraction (XRD) data analysis can be a time-consuming and laborious task. Deep neural network (DNN) based models trained with synthetic XRD patterns have been proven to be a highly efficient, accurate, and automated method for analyzing common XRD data collected from solid samples in ambient environments. However, it remains unclear whether synthetic XRD-based models can be effective in solving micro(μ)-XRD mapping data for in situ experiments involving liquid phases, which always have lower quality and significant artifacts. In this study, we collected μ-XRD mapping data from a LaCl 3 -calcite hydrothermal fluid system and trained two categories of models to analyze the experimental XRD patterns. Here, the models trained solely with synthetic XRD patterns showed low accuracy (as low as 64%) when solving experimental μ-XRD mapping data. However, the accuracy of the DNN models significantly improved (90% or above) when we trained them with a data set containing both synthetic and a small number of labeled experimental μ-XRD patterns. This study highlights the importance of labeled experimental patterns in training DNN models to solve μ-XRD mapping data from in situ experiments involving liquid phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mass Detection for Heavy-Duty Vehicles using Gaussian Belief Propagation

Predicting vehicle mass is critical to accurately estimate energy use and emissions of commercial trucks. However, data from vehicle telematics is often not at sufficient temporal resolution or accuracy for use in model-based detection methods. In this work, a new statistical mass prediction technique is described for heavy-duty vehicles that incorporates the use Gaussian Belief Propagation (GBP) for probabilistic inference. Similar to Bayesian inference models, the GBP model typically requires less labeled training data than other contemporary machine learning techniques. First, a factor graph is constructed, and a set of Gaussian belief nodes with associated means and variances are fitted to the training data. To better handle noisy input data, the GBP mass prediction model utilizes a k-nearest factors (kNF) algorithm for probabilistic inference on unseen testing data. The proposed method is compared with a classical weighted k-nearest neighbors (kNN) regressor. This statistical kNF-GBP model works even with low-quantity, low-quality initial training data, while being capable of realtime mass estimation. Unlike the kNN regressor, the GBP model produces a measure of uncertainty with its predictions. The proposed method is validated using curve-sampled driving data collected from multiple cloud-connected Class 8 regional haul diesel trucks. Both the kNN regressor and the kNF-GBP mass prediction model were able to predict payload mass with coefficients of determination above 0.97 with minimal data preprocessing.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DeepAstroUDA: semi-supervised universal domain adaptation for cross-survey galaxy morphology classification and anomaly detection

Abstract Artificial intelligence methods show great promise in increasing the quality and speed of work with large astronomical datasets, but the high complexity of these methods leads to the extraction of dataset-specific, non-robust features. Therefore, such methods do not generalize well across multiple datasets. We present a universal domain adaptation method, DeepAstroUDA , as an approach to overcome this challenge. This algorithm performs semi-supervised domain adaptation (DA) and can be applied to datasets with different data distributions and class overlaps. Non-overlapping classes can be present in any of the two datasets (the labeled source domain, or the unlabeled target domain), and the method can even be used in the presence of unknown classes. We apply our method to three examples of galaxy morphology classification tasks of different complexities (three-class and ten-class problems), with anomaly detection: (1) datasets created after different numbers of observing years from a single survey (Legacy Survey of Space and Time mock data of one and ten years of observations); (2) data from different surveys (Sloan Digital Sky Survey (SDSS) and DECaLS); and (3) data from observing fields with different depths within one survey (wide field and Stripe 82 deep field of SDSS). For the first time, we demonstrate the successful use of DA between very discrepant observational datasets. DeepAstroUDA is capable of bridging the gap between two astronomical surveys, increasing classification accuracy in both domains (up to 40 % on the unlabeled data), and making model performance consistent across datasets. Furthermore, our method also performs well as an anomaly detection algorithm and successfully clusters unknown class samples even in the unlabeled target dataset.

79 ASTRONOMY AND ASTROPHYSICS↗

Machine learning-assisted upscaling analysis of reservoir rock core properties based on micro-computed tomography imagery

Optimum solutions for geologic modeling and reservoir simulation in industries such as oil and gas recovery and carbon capture and storage require accurate characterization of reservoir properties, which are often heterogeneous. In this study, high-quality micro-computed tomography (CT) images (1.475-μm/pixel resolution) of a sandstone core acquired from the Bell Creek oil field, USA, were used to provide nondestructive analysis of pore- and core-scale heterogeneity across measurement scales of 94–566 μm. In addition to characterizing the as-received sample, the core sample was flooded with brine to evaluate the capacity of the core sample to receive injected fluids. The micro-CT images were systematically segmented into pore spaces and grains via machine learning (ML) steps including image preprocessing, label creation using a traditional ML method based on limited manual image annotation, and finally U-Net segmentation. The segmented image stacks were reconstructed into digital cubes of various scales of voxel lengths. The 3D porosity values were calculated for all the digital cubes, and the fractal dimensions of the cubes were estimated using a box-counting method. The results showed that smaller cubes had greater heterogeneity and that the porosity values could be accurately estimated by fractal dimension and voxel lengths using ML models. For the core sample with brine flooding, the ratio of pores filled by brine to the total pore space was related to the porosity and could also be accurately estimated by porosity, fractal dimension, and voxel lengths using ML models. In conclusion, the results of this study demonstrate that the concept of fractal dimension can be a useful vector to perform upscaling analysis of sandstone rock heterogeneity from the pore to core scale and that fractal dimensions can be used to estimate porosity values and pore space-filling capacity across those scales.

58 GEOSCIENCES↗

PSpecteR: A User-Friendly and Interactive Application for Visualizing Top-Down and Bottom-Up Proteomics Data in R

Visual examination of mass spectrometry data is necessary to assess data quality and to facilitate data exploration. Graphics provide the means to evaluate spectral properties, test alternative peptide/protein sequence matches, prepare annotated spectra for publication, and fine-tune parameters during wet lab procedures. Visual inspection of MS data is hindered by proprietary proteomics visualization software designed for particular workflows and academic software that lack visualization tools. We built PSpecteR, an open-source and interactive R Shiny web application to address these issues, with support for several steps of proteomics data processing, including: reading various mass spectrometry files, running open-source database search tools, labelling spectra with fragmentation patterns, testing post-translational modifications, plotting where identified fragments map to reference sequences, and visualizing algorithmic output and metadata. All figures, tables, and spectra are exportable within one easy-to-use graphical user interface. Our current software provides a flexible and modern R framework to support fast implementation of additional features. The open source code is readily available (https://github.com/EMSL-Computing/PSpecteR), and a PSpecteR Docker container (https://hub.docker.com/r/emslcomputing) is available for easy local installation.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Multiview Incomplete Knowledge Graph Integration with application to cross-institutional EHR data harmonization

Objective: The growing availability of electronic health records (EHR) data opens opportunities for integrative analysis of multi-institutional EHR to produce generalizable knowledge. A key barrier to such integrative analyses is the lack of semantic interoperability across different institutions due to coding differences. We propose a Multiview Incomplete Knowledge Graph Integration (MIKGI) algorithm to integrate information from multiple sources with partially overlapping EHR concept codes to enable translations between healthcare systems. Methods: The MIKGI algorithm combines knowledge graph information from (i) embeddings trained from the co-occurrence patterns of medical codes within each EHR system and (ii) semantic embeddings of the textual strings of all medical codes obtained from the Self-Aligning Pretrained BERT (SAPBERT) algorithm. Due to the heterogeneity in the coding across healthcare systems, each EHR source provides partial coverage of the available codes. MIKGI synthesizes the incomplete knowledge graphs derived from these multi-source embeddings by minimizing a spherical loss function that combines the pairwise directional similarities of embeddings computed from all available sources. MIKGI outputs harmonized semantic embedding vectors for all EHR codes, which improves the quality of the embeddings and enables direct assessment of both similarity and relatedness between any pair of codes from multiple healthcare systems. Results: With EHR co-occurrence data from Veteran Affairs (VA) healthcare and Mass General Brigham (MGB), MIKGI algorithm produces high quality embeddings for a variety of downstream tasks including detecting known similar or related entity pairs and mapping VA local codes to the relevant EHR codes used at MGB. Based on the cosine similarity of the MIKGI trained embeddings, the AUC was 0.918 for detecting similar entity pairs and 0.809 for detecting related pairs. For cross-institutional medical code mapping, the top 1 and top 5 accuracy were 91.0% and 97.5% when mapping medication codes at VA to RxNorm medication codes at MGB; 59.1% and 75.8% when mapping VA local laboratory codes to LOINC hierarchy. When trained with 500 labels, the lab code mapping attained top 1 and 5 accuracy at 77.7% and 87.9%. MIKGI also attained best performance in selecting VA local lab codes for desired laboratory tests and COVID-19 related features for COVID EHR studies. Compared to existing methods, MIKGI attained the most robust performance with accuracy the highest or near the highest across all tasks. Conclusions: The proposed MIKGI algorithm can effectively integrate incomplete summary data from biomedical text and EHR data to generate harmonized embeddings for EHR codes for knowledge graph modeling and cross-institutional translation of EHR codes.

Zhou, Doudou↗

Transport of intensity equation: a tutorial

When it comes to “phase measurement” or “quantitative phase imaging”, many people will automatically connect them with “laser” and “interferometry”. Indeed, conventional quantitative phase imaging and phase measurement techniques generally rely on the superposition of two beams with a high degree of coherence: complex interferometric configurations, stringent requirements on the environmental stabilities, and associated laser speckle noise severely limit their applications in optical imaging and microscopy. On a different note, as one of the most well-known phase retrieval approaches, the transport of intensity equation (TIE) provides a new non-interferometric way to access quantitative phase information through intensity only measurement. Despite the insufficiency for interferometry, TIE is applicable under partially coherent illuminations (like the Köhler’s illumination in a conventional microscope), permitting optimum spatial resolution, higher signal-to-noise ratio, and better image quality. In this tutorial, we give an overview of the basic principle, research fields, and representative applications of TIE, focus particularly on optical imaging, metrology, and microscopy. The purpose of this tutorial is twofold. It should serve as a self-contained introduction to TIE for readers with little or no knowledge of TIE. On the other hand, it attempts to give an overview of recent developments in this field. These results highlight a new era in which strict coherence and interferometry are no longer prerequisites for quantitative phase imaging and diffraction tomography, paving the way toward new generation label-free three-dimensional microscopy, with applications in all branches of biomedicine.

42 ENGINEERING↗

Automated theoretical chemical kinetics: Predicting the kinetics for the initial stages of pyrolysis

Large scale implementation of high level computational theoretical chemical kinetics offers the prospect for dramatically improving the fidelity of combustion chemical modeling. To facilitate such efforts, we have developed a suite of codes, collectively referred to as AutoMech, that allow for the automatic prediction of the kinetics for large sets of reactions via ab initio transition-state-theory based master-equation calculations. The primary input is simply the mechanism, a dictionary relating chemically identifiable species descriptors (e.g., SMILES or InChIs) to species labels in the mechanism, and a specification of the electronic structure and transition state theory models to be implemented. Here we illustrate the current utility of AutoMech through a study of the initial stages of pyrolysis for 3 sets of fuels: sequences of alkanes, alcohols, and aldehydes. For simplicity, the analysis focuses on abstractions from the fuel by H, CH 3 , and OH, and the decomposition of the resulting radicals. Altogether, there are a total of 166 input channels in these sets (more than 363 forward reactions when expanded to the full set of elementary reactions). The code successfully produces high quality rate estimates (with apparent uncertainties less than a factor of two in limited comparisons with experiment) for > 95% of these. For the radical decomposition reactions, the analysis includes predictions for the pressure dependence of the kinetics. This wide-ranging exploration illustrates (i) the effect of different levels of prediction on the expected accuracy, (ii) the branching between abstractions at different sites for different abstractors, (iii) the dependence of the rates on the chemical structure, and (iv) the variation in radical stabilities across chemical families. These results, as well as the demonstrated feasibility of the methodology, should find further utility in the development of accurate rate expressions for arbitrary fuels. (c) 2020 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

Elliott, Sarah N.↗

Probing Light-Dependent Regulation of the Calvin Cycle Using a Multi-Omics Approach

Photoautotrophic microorganisms are increasingly explored for the conversion of atmospheric carbon dioxide into biomass and valuable products. The Calvin-Benson-Bassham (CBB) cycle is the primary metabolic pathway for net CO 2 fixation within oxygenic photosynthetic organisms. The cyanobacteria, Synechocystissp. PCC 6803, is a model organism for the study of photosynthesis and a platform for many metabolic engineering efforts. The CBB cycle is regulated by complex mechanisms including enzymatic abundance, intracellular metabolite concentrations, energetic cofactors and post-translational enzymatic modifications that depend on the external conditions such as the intensity and quality of light. However, the extent to which each of these mechanisms play a role under different light intensities remains unclear. In this work, we conducted non-targeted proteomics in tandem with isotopically non-stationary metabolic flux analysis (INST-MFA) at four different light intensities to determine the extent to which fluxes within the CBB cycle are controlled by enzymatic abundance. The correlation between specific enzyme abundances and their corresponding reaction fluxes is examined, revealing several enzymes with uncorrelated enzyme abundance and their corresponding flux, suggesting flux regulation by mechanisms other than enzyme abundance. Additionally, the kinetics of 13 C labeling of CBB cycle intermediates and estimated inactive pool sizes varied significantly as a function of light intensity suggesting the presence of metabolite channeling, an additional method of flux regulation. These results highlight the importance of the diverse methods of regulation of CBB enzyme activity as a function of light intensity, and highlights the importance of considering these effects in future kinetic models.

54 ENVIRONMENTAL SCIENCES↗

Lignin Removal in Subcellular Location of Poplar Cell Wall During Pretreatment Significantly Impacts Cellulose Digestibility

The γ-valerolactone (GVL) pretreatment is one of the leading solvent-based methods for producing high-quality lignin under mild conditions. However, the glucan conversion yield from GVL pretreated biomass remains unsatisfactory. To explore the discrepancies between the relatively low glucan conversion and high lignin extraction, we conducted GVL−HCl and NaOH pretreatments on poplar and investigated their effects on lignin content and location, as well as on enzymatic hydrolysis of poplar cell walls at the subcellular level. Under designated pretreatment conditions of GVL−HCl (90% GVL, 0.1 M HCl, 100 °C, 1 h) and NaOH (1 M, 121 °C, 2 h), the glucan conversion yields were 69.4% and 95.8%, with lignin removal rates of 67.8% and 47.7%, respectively. Four types of GFP-labeled carbohydrate binding modules were used to identify different forms of cellulose in the pretreated cell walls. The overall binding intensities to pretreated poplar were stronger for NaOH compared to GVL−HCl pretreatment. Stimulated Raman scattering microscopy imaging revealed that GVL−HCl preferentially extracted lignin from the compound middle lamella and cell corner areas, while NaOH effectively dissolved lignin in the secondary cell walls. Real-time imaging of cellulase degradation of pretreated cell walls further indicated that digestion started from both the cell lumen and the compound middle lamella areas for GVL, whereas it occurred uniformly across the secondary cell walls for NaOH. Our findings suggest that the location of lignin removal during pretreatment is crucial for enzymatic cellulose degradation, in addition to the total amount of lignin extraction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Phasor-Measurement-Unit-Based Data Analytics Using Digital Twin and PhasorAnalytics Software

A major objective of this project was to apply GE’s commercial machine learning and data analytics toolsets to large-scale, real-world, anonymized Phasor Measurement Unit (PMU) datasets in order to extract signatures, correlated and/or causal factors, and precursor patterns associated with significant power system phenomena. The project had a particular emphasis on extraction of insights relevant to asset health monitoring, real-time load modeling and cybersecurity monitoring. Additionally, the team was directed to undertake a comprehensive data quality analysis for the provided datasets and encouraged to estimate the ‘machine-learning readiness’ of the datasets by documenting any major obstacles to the application of commercial machine learning algorithms. To accomplish the aforementioned objectives, the project team’s work centered around the identification of key event signatures and application of the identified event signatures for event detection and event classification. The industry-validated, semi-supervised machine learning strategy employed for event signature identification involved several major tasks, including data-preprocessing, generation of an overabundance of features, normal data identification, normality modeling, and event signature identification through a methodical, quantitative ranking of features in order of relevance to each studied event type. Throughout the project, data quality issues and mitigation techniques were investigated. In this report, insights are provided regarding the readiness of the provided synchrophasor datasets for application of machine learning and data analytics. The methodologies employed for this technical strategy are summarized in this report. With regards to data preprocessing and feature generation, the provided Training and Test Datasets were ingested into GE’s big data environment. Subsequently, the team applied bad data cleansing and data imputation scripts, event detection scripts, and application programming interfaces (APIs) to the datasets for convenient data access. The project team completed development and validation of dozens of physics-based, statistics-based and transformation-based feature functions used for the extraction of over 60 synchrophasor features. Using a new parallel feature generation technology developed on this project, over 60 features have been rapidly generated for the full two years’ worth of Training and Test Dataset data associated with both the Eastern and Western interconnects. Even accommodating for temporal down-sampling inherent to the feature extraction procedure, this parallel feature generation activity resulted in a massive feature set with a storage requirement approximately equal to that of the raw training dataset itself. With regards to normal data identification and normality modeling, a normality model was built using the feature data extracted from the Training Dataset and iteratively refined subsequent to incremental adjustments and expansions of the Training Dataset feature data. With respect to event characterization and signature identification, an event signature identification pipeline was developed and used in conjunction with the normality model to identify over 15 event signatures for key event categories within the Training Dataset. The identified event signatures were used to characterize hundreds of key events in terms of relative severity, duration, and location of the event. An investigation was undertaken to identify correlated and causal factors involved in transformer events. A separate investigation into temporal trends in ring-down analysis results was undertaken to determine possible associations between system dynamics and various other factors such as loading, season or year. To validate the identified event signatures, additional work was undertaken to develop signature-based anomaly detection and classification tools suitable for convenient application to the synchrophasor datasets. The anomaly detection and classification tools, suitable for online application, were then applied to the entirety of the Eastern Interconnect Training and Test Datasets. Performance of the event detection and classification tools was evaluated upon receipt of the Test Dataset event logs (i.e., the labels for events contained in the Test Dataset), and promising results were obtained despite several challenges (documented herein) associated with application of supervised or semi-supervised machine learning methods to large-scale, anonymized datasets. Finally, the detection and classification tools were used to detect, classify, and characterize thousands of new events not included in the original event logs provided by the DOE within both the Training and Test Datasets.

24 POWER TRANSMISSION AND DISTRIBUTION↗

RINO: Renormalization Group Invariance with No Labels

A common challenge with supervised machine learning (ML) in high energy physics (HEP) is the reliance on simulations for labeled data, which can often mismodel the underlying collision or detector response. To help mitigate this problem of domain shift, we propose RINO (Renormalization Group Invariance with No Labels), a self-supervised learning approach that can instead pretrain models directly on collision data, learning embeddings invariant to renormalization group flow scales. In this work, we pretrain a transformer-based model on jets originating from quantum chromodynamic (QCD) interactions from the JetClass dataset, emulating real QCD-dominated experimental data, and then finetune on the JetNet dataset -- emulating simulations -- for the task of identifying jets originating from top quark decays. RINO demonstrates improved generalization from the JetNet training data to JetClass data compared to supervised training on JetNet from scratch, demonstrating the potential for RINO pretraining on real collision data followed by fine-tuning on small, high-quality MC datasets, to improve the robustness of ML models in HEP.

Hao, Zichun [Caltech] (ORCID:0000000256244907)↗