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At least 865 records · Page 48

Convolutional neural network identification of galaxy post-mergers in UNIONS using IllustrisTNG

ABSTRACT The Canada–France Imaging Survey (CFIS) will consist of deep, high-resolution r-band imaging over ∼5000 deg2 of the sky, representing a first-rate opportunity to identify recently merged galaxies. Because of the large number of galaxies in CFIS, we investigate the use of a convolutional neural network (CNN) for automated merger classification. Training samples of post-merger and isolated galaxy images are generated from the IllustrisTNG simulation processed with the observational realism code RealSim. The CNN’s overall classification accuracy is 88 per cent, remaining stable over a wide range of intrinsic and environmental parameters. We generate a mock galaxy survey from IllustrisTNG in order to explore the expected purity of post-merger samples identified by the CNN. Despite the CNN’s good performance in training, the intrinsic rarity of post-mergers leads to a sample that is only ∼6 per cent pure when the default decision threshold is used. We investigate trade-offs in purity and completeness with a variable decision threshold and find that we recover the statistical distribution of merger-induced star formation rate enhancements. Finally, the performance of the CNN is compared with both traditional automated methods and human classifiers. The CNN is shown to outperform Gini–M20 and asymmetry methods by an order of magnitude in post-merger sample purity on the mock survey data. Although the CNN outperforms the human classifiers on sample completeness, the purity of the post-merger sample identified by humans is frequently higher, indicating that a hybrid approach to classifications may be an effective solution to merger classifications in large surveys.

Bickley, Robert W.↗

Few measurement shots challenge generalization in learning to classify entanglement

The ability to extract general laws from a few known examples depends on the complexity of the problem and on the amount of training data. In the quantum setting, the learner's generalization performance is further challenged by the destructive nature of quantum measurements that, together with the no-cloning theorem, limits the amount of information that can be extracted from each training sample. In this paper we focus on hybrid quantum learning techniques where classical machine-learning methods are paired with quantum algorithms and show that, in some settings, the uncertainty coming from a few measurement shots can be the dominant source of errors. We identify an instance of this possibly general issue by focusing on the classification of maximally entangled vs. separable states, showing that this toy problem becomes challenging for learners unaware of entanglement theory. Finally, we introduce an estimator based on classical shadows that performs better in the big data, few copy regime. Our results show that the naive application of classical machine-learning methods to the quantum setting is problematic, and that a better theoretical foundation of quantum learning is required.

97 MATHEMATICS AND COMPUTING↗

Machine learning for photovoltaic single axis tracker fault detection and classification

More than 81% of the annual capacity of utility-scale photovoltaic (PV) power plants in the U.S. use single-axis trackers (SATs) due to SATs delivering 4% in capacity factor on average over fixed-array systems. However, SATs are subject to faults, such as software misconfigurations and mechanical failures, resulting in suboptimal tracking. If left undetected, the overall power yield of the PV power plant is reduced significantly. Minimizing downtime and ensuring efficient operation of SATs requires robust detection and diagnosis mechanisms for SAT faults. We present a machine learning framework for implementing real-time SAT fault detection and classification. Our implementation of the proposed framework reliably identifies measurements taken from a test PV system undergoing emulated SAT faults relative to state-of-the-art algorithms and produces nearly zero false positives on our testing days. Code and data are available at https://pvpmc.sandia.gov/tools.

Fault classification↗

Chemical and genetic characterization of the ungrouped pallasite Lieksa

The meteorite Lieksa was found in 2017 in Löpönvaara, Finland, and later donated to the Finnish Museum of Natural History. Here, we report siderophile element concentrations, genetic isotopic data, and a metal–silicate segregation age for the meteorite. The ~280 g Lieksa is ~80% metal and ~20% silicate and oxide inclusions by volume, with the inclusions consisting primarily of Fe-rich olivine. Due to Lieksa's silicate content, coupled with a texture characterized by metal enclosing the silicates, it has been classified as a pallasite. Lieksa's olivine and bulk chemical characteristics are distinct from those of the known pallasite and iron meteorite groups, consistent with its classification as ungrouped. The meteorite exhibits a flat, chondrite-normalized highly siderophile element pattern, consistent with an origin as an early crystallization product from a metallic melt with chondritic relative abundances. Molybdenum, Ru, and 183 W isotopic data indicate that Lieksa formed in the non-carbonaceous (NC) domain of the solar nebula. Radiogenic 182 W abundances for Lieksa yield a model metal–silicate segregation age of 1.5 ± 0.8 Myr after calcium-aluminum-rich inclusion formation, which is within the range established for other NC-type pallasite and iron meteorite parent bodies.

58 GEOSCIENCES↗

CROCUS Forward Scatter Disdrometer Data at Argonne National Laboratory Prairie Site

The Vaisala FD70 is a multi-parameter present weather and visibility sensor designed to measure precipitation type, intensity, and visibility with high accuracy in diverse environmental conditions. It uses a combination of forward-scatter measurement and optical disdrometer technologies to detect drop size, fall speeds, and optical properties, enabling the classification of various precipitation types such as rain, snow, sleet, and freezing rain along is visibility estimates. The FD70 provides quantitative estimates of liquid-equivalent precipitation rate and meteorological optical range (MOR), supporting applications in meteorological research, aviation, and road weather monitoring. These measurements are collected at the Argonne Testbed for Multiscale Observational Science (ATMOS), a 20 acre prairie site at Argonne National Lab, located in Lemont, IL. Data is available in netcdf format. Each file contains one second interval data, for approximately 24 hrs each day. File naming convention includes the project (CROCUS), location (ATMOS), instrument name, data level (raw, a1), and date (year, month, day).

54 ENVIRONMENTAL SCIENCES↗

Unpaired image translation to mitigate domain shift in liquid argon time projection chamber detector responses

Deep learning algorithms often are developed and trained on a training dataset and deployed on test datasets. Any systematic difference between the training and a test dataset may severely degrade the final algorithm performance on the test dataset—what is known as the domain shift problem . This issue is prevalent in many scientific domains where algorithms are trained on simulated data but applied to real-world datasets. Typically, the domain shift problem is solved through various domain adaptation (DA) methods. However, these methods are often tailored for a specific downstream task, such as classification or semantic segmentation, and may not easily generalize to different tasks. This work explores the feasibility of using an alternative way to solve the domain shift problem that is not specific to any downstream algorithm. The proposed approach relies on modern Unpaired Image-to-Image (UI2I) translation techniques, designed to find translations between different image domains in a fully unsupervised fashion. In this study, the approach is applied to a domain shift problem commonly encountered in Liquid Argon Time Projection Chamber (LArTPC) detector research when seeking a way to translate samples between two differently distributed LArTPC detector datasets deterministically. This translation allows for mapping real-world data into the simulated data domain where the downstream algorithms can be run with much less domain-shift-related performance degradation. Conversely, using the translation from the simulated data to a real-world domain can increase the realism of the simulated dataset and reduce the magnitude of any systematic uncertainties. To evaluate the quality of the translations, we use both pixel-wise metrics and a downstream task to measure the effectiveness of UI2I methods for mitigating the domain shift problem. We adapted several popular UI2I translation algorithms to work on scientific data and demonstrated the viability of these techniques for solving the domain shift problem with LArTPC detector data. To facilitate further development of DA techniques for scientific datasets, the ‘Simple Liquid-Argon Track Samples’ dataset used in this study is also published.

97 MATHEMATICS AND COMPUTING↗

Snekmer: a scalable pipeline for protein sequence fingerprinting based on amino acid recoding

Abstract Motivation The vast expansion of sequence data generated from single organisms and microbiomes has precipitated the need for faster and more sensitive methods to assess evolutionary and functional relationships between proteins. Representing proteins as sets of short peptide sequences (kmers) has been used for rapid, accurate classification of proteins into functional categories; however, this approach employs an exact-match methodology and thus may be limited in terms of sensitivity and coverage. We have previously used similarity groupings, based on the chemical properties of amino acids, to form reduced character sets and recode proteins. This amino acid recoding (AAR) approach simplifies the construction of protein representations in the form of kmer vectors, which can link sequences with distant sequence similarity and provide accurate classification of problematic protein families. Results Here, we describe Snekmer, a software tool for recoding proteins into AAR kmer vectors and performing either (i) construction of supervised classification models trained on input protein families or (ii) clustering for de novo determination of protein families. We provide examples of the operation of the tool against a set of nitrogen cycling families originally collected using both standard hidden Markov models and a larger set of proteins from Uniprot and demonstrate that our method accurately differentiates these sequences in both operation modes. Availability and implementation Snekmer is written in Python using Snakemake. Code and data used in this article, along with tutorial notebooks, are available at http://github.com/PNNL-CompBio/Snekmer under an open-source BSD-3 license. Supplementary information Supplementary data are available at Bioinformatics Advances online.

59 BASIC BIOLOGICAL SCIENCES↗

The phase space distance between collider events

How can one fully harness the power of physics encoded in relativistic N-body phase space? Topologically, phase space is isomorphic to the product space of a simplex and a hypersphere and can be equipped with explicit coordinates and a Riemannian metric. This natural structure that scaffolds the space on which all collider physics events live opens up new directions for machine learning applications and implementation. Here we present a detailed construction of the phase space manifold and its differential line element, identifying particle ordering prescriptions that ensure that the metric satisfies necessary properties. We apply the phase space metric to several binary classification tasks, including discrimination of high-multiplicity resonance decays or boosted hadronic decays of electroweak bosons from QCD processes, and demonstrate powerful performance on simulated data. Our work demonstrates the many benefits of promoting phase space from merely a background on which calculations take place to being geometrically entwined with a theory’s dynamics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Machine Learning Models to Predict Inhibition of the Bile Salt Export Pump

Cholestatic liver injury is frequently associated with drug inhibition of bile salt transporters, such as the bile salt export pump (BSEP). Reliable in silico models to predict BSEP inhibition directly from chemical structures would significantly reduce costs during drug discovery and could help avoid injury to patients. We report our development of classification and regression models for BSEP inhibition with substantially improved performance over previously published models. We assessed the performance effects of different methods of chemical featurization, data set partitioning, and class labeling and identified the methods producing models that generalized best to novel chemical entities.

59 BASIC BIOLOGICAL SCIENCES↗

Exploring the interplay between distributed wind generators and solar photovoltaic systems

This study investigates the spatial and temporal dynamics of wind and solar energy generation across the continental United States, focusing on energy availability, reliability, variability, and cooperation. Using data from the National Renewable Energy Laboratory, we analyze the performance of wind turbines and photovoltaic systems, revealing distinct patterns in energy production and reliability. The classification of wind and solar zones based on energy availability and reliability provides valuable insights for renewable energy planning and grid integration strategies. Overall, this methodology contributes to understanding wind and solar interactions, which will lead to informing effective renewable energy deployment and grid integration efforts.

14 SOLAR ENERGY↗

A simple framework to characterize land aridity based on surface energy partitioning regimes

Land aridity is often characterized by the aridity index (AI), which does not account for land surface water-energy interactions that are crucially important in determining regional climate. Such interactions can be captured by the evaporative fraction (EF, ratio of evapotranspiration to available energy) regimes. As EF is subject to energy and water limitations in humid and dry areas, respectively, EF regimes may be used to characterize land aridity to account for the influence of complex land characteristics and their impact on water availability. Here, we propose a simple framework to characterize land aridity by statistically ranking the coupling strength between EF and surface energy and water terms. The framework is demonstrated using gridded data and compared with AI over the U.S. and China. Results show that regionalization of aridity zones based on EF regimes and a two-tiered classification scheme may provide information such as surface energy and water variability complementary to the background aridity depicted by AI, with implications for extreme events.

54 ENVIRONMENTAL SCIENCES↗

Overview of RFID Applications Utilizing Neural Networks

As Radio Frequency Identification (RFID) methods continue to evolve to higher levels of complexity, one form of machine learning is making its appearance. The use of Neural Networks (NN) in the RFID field is steadily increasing, and in the fields of localization and activity recognition, promising results are being shown from a variety of research. RFID applications fall primarily under two types of problems including regression and classification. We analyze RIFD localization techniques which fall under regression, and activity recognition which falls under classification. Many works don’t classify themselves as activity recognition methods, but because they fall under the classification category, we still consider them as activity recognition techniques. This research overviews the Neural Network models in the localization field based on whether they can perform independently of the environment in which they were tested. For activity recognition and accessory fields, the major methods involve tag-based and tag-free approaches. In conclusion, after the models are surveyed, a comparison study is given to examine what may be the cause for increased accuracy between different Neural Network models.

42 ENGINEERING↗

Separating Sensor Anomalies From Process Anomalies in Data-Driven Anomaly Detection

Data-driven anomaly detection over time series data is studied from the perspective of separating data anomalies—corresponding to sensor failures—from process anomalies—that arise from equipment or operational failures. Herein, a semi-supervised approach is proposed that utilizes two predictive models trained on non-anomalous data using two different sensor groups as inputs, and a nested hypothesis test to reliably classify data or process anomalies. Conditions are derived on choice of sensor groups to guarantee reliable detection, and a case study is presented to demonstrate the proposed classification approach.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The HST See Change Program. I. Survey Design, Pipeline, and Supernova Discoveries*

The See Change survey was designed to make z > 1 cosmological measurements by efficiently discovering high-redshift Type Ia supernovae (SNe Ia) and improving cluster mass measurements through weak lensing. This survey observed twelve galaxy clusters with the Hubble Space Telescope (HST) spanning the redshift range z = 1.13–1.75, discovering 57 likely transients and 27 likely SNe Ia at z ~ 0.8–2.3. As in similar previous surveys, this proved to be a highly efficient use of HST for supernova observations; the See Change survey additionally tested the feasibility of maintaining, or further increasing, the efficiency at yet higher redshifts, where we have less detailed information on the expected cluster masses and star formation rates. Furthermore, we find that the resulting number of SNe Ia per orbit is a factor of ~8 higher than for a field search, and 45% of our orbits contained an active SN Ia within 22 rest-frame days of peak, with one of the clusters by itself yielding 6 of the SNe Ia. We present the survey design, pipeline, and supernova discoveries. Novel features include fully blinded supernova searches, the first random forest candidate classifier for undersampled IR data (with a 50% detection threshold within 0.05 mag of human searchers), real-time forward-modeling photometry of candidates, and semi-automated photometric classifications and follow-up forecasts. We also describe the spectroscopic follow-up, instrumental in measuring host galaxy redshifts. The cosmology analysis of our sample will be presented in a companion paper.

79 ASTRONOMY AND ASTROPHYSICS↗

Quantum Annealing for Real-World Machine Learning Applications

Optimizing the training of a machine learning pipeline is important for reducing training costs and improving model performance. One such optimizing strategy is quantum annealing, which is an emerging computing paradigm that has shown potential in optimizing the training of a machine learning model. The implementation of a physical quantum annealer has been realized by D-Wave systems and is available to the research community for experiments. Recent experimental results on a variety of machine learning applications have shown interesting results especially under the conditions where the performance of classical machine learning techniques are limited such as limited training data and high dimensional features. This chapter explores the application of D-Wave’s quantum annealer for optimizing machine learning pipelines for real-world classification problems. We review the application domains on which a physical quantum annealer has been used to train machine learning classifiers. We discuss and analyze the experiments performed on the D-Wave quantum annealer for applications such as image recognition, remote sensing imagery, security, computational biology, biomedical sciences, and physics. We discuss the possible advantages and the problems for which quantum annealing is likely to be advantageous over classical computation.

Kumar nath, Rajdeep↗

A Biochar Classification System and Associated Test Methods

In this chapter, a biochar classification system related to its use as soil amendment is proposed. This document builds upon previous work: “Standardized product definition and product testing guidelines for biochar that is used in soil” (IBI, 2015) (aka IBI Biochar Standards) and “Guidelines for biochar production for a sustainable production of biochar: European Biochar Certificate” (EBC, 2012-2022) (aka EBC Biochar Standards). It should be noted that the EBC guidelines constitute the basis for biochar certification through the independent government accredited inspection agency, Bio.Inspecta AG. The present document constrains its scope to materials with properties that satisfy the criteria for biochar as defined by either the IBI Biochar Standards or the EBC Standards (Annex I), as required by the current methodologies developed for accounting carbon credits associated with the biochar use in the voluntary market (e.g., Verra, Puro.Earth). The classification system envisions enabling stakeholders and commercial entities to (i) identify the most suitable biochar to fulfil the requirements for a particular soil and/or land-use, (ii) distinguish the application of biochar for specific niches (e.g., soilless agriculture), and (iii) assess the climate-impact value based on biochar properties, production efficiency, and alternative feedstock uses. It is based on the best current knowledge and will need to be improved as new data and knowledge become available in the scientific literature.

biochar, climate change impacts, soil amendment, c↗

Air classification of forest residue for tissue and ash separation efficiency

The goal of this Case Study was to evaluate the performance of air classification of logging residues toward meeting conversion CMAs for carbon and ash contents, as compared to the static status quo Base Case system in which the residues are first dried and then ground in a hammer mill with a 6 mm screen and fines < 1.18 mm are removed. Also considered were moisture and ash impacts on throughput and Overall Operating Effectiveness (OOE), as well as delivered feedstock cost and minimum fuel selling price (MFSP). Laboratory data on the impacts of fan speed and moisture content on the separation efficiency of soil ash, needles and bark from white wood were received from FCIC Subtask 5.2. Average throughput and energy consumption data were obtained from the Bioenergy Feedstock National User Facility (BFNUF) for the same air classifier. These data were utilized to develop the necessary response surface equations to perform throughput analysis using discrete event simulation. Because the Base Case status quo system utilizes drying prior to grinding, we modeled the Case Study with drying prior to air classification and subsequent grinding of the separated white wood to isolate the individual quality and cost impacts of air classification relative to the Base Case system. Key takeaways from this Case Study are that air classification improves the quality of the final material, but increases the production cost, especially when lights are disposed; this becomes a tradeoff between increased conversion yield and the extra cost. Removing material should be done as early in the process as possible. Each operation that occurs prior to removing the material increases the cost of the disposed material and leads to wasted energy expenditures. As processes are included or modified, the impact on monetary and energy cost should be included in the decision process. Identifying alternative uses and the associated value for material that is separated from the feedstock stream will have a significant impact on the delivered cost of the material. Although there was an increase in production cost by adding air classification, there was a resulting benefit to the MFSP when meeting or exceeding all of the conversion CMAs; this was an important finding that should be explored further with FCIC Subtask 8.3 and potentially FCIC Task 6.

09 BIOMASS FUELS↗

A k-mer based approach for classifying viruses without taxonomy identifies viral associations in human autism and plant microbiomes

Viruses are an underrepresented taxa in the study and identification of microbiome constituents; however, they play an essential role in health, microbiome regulation, and transfer of genetic material. Only a few thousand viruses have been isolated, sequenced, and assigned a taxonomy, which limits the ability to identify and quantify viruses in the microbiome. Additionally, the vast diversity of viruses represents a challenge for classification, not only in constructing a viral taxonomy, but also in identifying similarities between a virus’ genotype and its phenotype. However, the diversity of viral sequences can be leveraged to classify their sequences in metagenomic and metatranscriptomic samples, even if they do not have a taxonomy. To identify and quantify viruses in transcriptomic and genomic samples, we developed a dynamic programming algorithm for creating a classification tree out of 715,672 metagenome viruses. To create the classification tree, we clustered proportional similarity scores generated from the k-mer profiles of each of the metagenome viruses to create a database of metagenomic viruses. The resulting Kraken2 database of the metagenomic viruses can be found here: https://www.osti.gov/biblio/1615774 and is compatible with Kraken2. We then integrated the viral classification database with databases created with genomes from NCBI for use with ParaKraken (a parallelized version of Kraken provided in Supplemental Zip 1), a metagenomic/transcriptomic classifier. To illustrate the breadth of our utility for classifying metagenome viruses, we analyzed data from a plant metagenome study identifying genotypic and compartment specific differences between two Populus genotypes in three different compartments. We also identified a significant increase in abundance of eight viral sequences in post mortem brains in a human metatranscriptome study comparing Autism Spectrum Disorder patients and controls. We also show the potential accuracy for classifying viruses by utilizing both the JGI and NCBI viral databases to identify the uniqueness of viral sequences. Finally, we validate the accuracy of viral classification with NCBI databases containing viruses with taxonomy to identify pathogenic viruses in known COVID-19 and cassava brown streak virus infection samples. Our method represents the compulsory first step in better understanding the role of viruses in the microbiome by allowing for a more complete identification of sequences without taxonomy. Better classification of viruses will improve identifying associations between viruses and their hosts as well as viruses and other microbiome members. Despite the lack of taxonomy, this database of metagenomic viruses can be used with any tool that utilizes a taxonomy, such as Kraken, for accurate classification of viruses.

59 BASIC BIOLOGICAL SCIENCES↗