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At least 145 records · Page 8

Observable optimization for precision theory: machine learning energy correlators

The practice of collider physics typically involves the marginalization of multi-dimensional collider data to uni-dimensional observables relevant for some physics task. In many cases, such as classification or anomaly detection, the observable can be arbitrarily complicated, such as the output of a neural network. However, for precision measurements, the observable must correspond to something computable systematically beyond the level of current simulation tools. In this work, we demonstrate that precision-theory-compatible observable space exploration can be systematized by using neural simulation-based inference techniques from machine learning. We illustrate this approach by exploring the space of marginalizations of the energy 3-point correlator to optimize sensitivity to the top quark mass. We first learn the energy-weighted probability density from simulation, then search in the space of marginalizations for an optimal triangle shape. Although simulations and machine learning are used in the process of observable optimization, the output is an observable definition which can be then computed to high precision and compared directly to data without any memory of the computations which produced it. We find that the optimal marginalization is isosceles triangles on the sphere with a side ratio approximately $1 : 1 : \sqrt{2}$ (i.e. right triangles) within the set of marginalizations we consider.

Jets and Jet Substructure↗

Evaluation of KDP Estimation Algorithm Performance in Rain Using a Known-Truth Framework

Accurate estimation of specific differential phase ( K DP ) is necessary for rain rate estimation, attenuation correction, and hydrometeor classification algorithms. There are numerous published methods to process polarimetric radar observations of propagation differential phase shift (Φ DP ) and estimate K DP , but the corresponding K DP estimate uncertainty is unquantified. This study provides guidance on how commonly used K DP estimation algorithms perform in various environments. Here, we create numerous synthetic (“true”) K DP profiles, integrate over them to obtain “smoothed” Φ DP , and then add noise typical of S-band operational weather radar measurements. Each algorithm is applied to our noisy Φ DP profiles and compared to the true K DP profile such that the errors and uncertainty are quantified. The synthetic K DP profiles are Gaussian in shape, which allows systematic variations in their magnitude and width to determine how each algorithm performs in smooth, slowly changing K DP profiles, as well as steep profiles. Results demonstrate that algorithm performance is dependent on the Φ DP field received. These results are further supported by an error analysis of each algorithm for two more complicated synthetic K DP profiles. Some K DP algorithms allow users to change various tuning parameters; a subset of these tuning parameters is tested to provide guidance on how changing these parameters impacts algorithm performance. We then provide evidence that our known-truth framework provides insight into algorithm performance in observed data through two case studies.

54 ENVIRONMENTAL SCIENCES↗

Complete genome sequence of Planctomyces brasiliensis type strain (DSM 5305 T ), phylogenomic analysis and reclassification of Planctomycetes including the descriptions of Gimesia gen. nov., Planctopirus gen. nov. and Rubinisphaera gen. nov. and emended descriptions of the order Planctomycetales and the family Planctomycetaceae

Planctomyces brasiliensis Schlesner 1990 belongs to the order Planctomycetales , which differs from other bacterial taxa by several distinctive features such as internal cell compartmentalization, multiplication by forming buds directly from the spherical, ovoid or pear-shaped mother cell and a cell wall consisting of a proteinaceous layer rather than a peptidoglycan layer. The first strains of P. brasiliensis , including the type strain IFAM 1448 T, were isolated from a water sample of Lagoa Vermelha, a salt pit near Rio de Janeiro, Brasil. This is the second completed genome sequence of a type strain of the genus Planctomyces to be published and the sixth type strain genome sequence from the family Planctomycetaceae . The 6,006,602 bp long genome with its 4,811 protein-coding and 54 RNA genes is a part of the Genomic Encyclopedia of Bacteria and Archaea project. We study phylogenomic analyses that indicate that the classification within the Planctomycetaceae is partially in conflict with its evolutionary history, as the positioning of Schlesneria renders the genus Planctomyces paraphyletic. A re-analysis of published fatty-acid measurements also does not support the current arrangement of the two genera. A quantitative comparison of phylogenetic and phenotypic aspects indicates that the three Planctomyces species with type strains available in public culture collections should be placed in separate genera. Thus the genera Gimesia, Planctopirus and Rubinisphaera are proposed to accommodate P. maris, P. limnophilus and P. brasiliensis , respectively. Pronounced differences between the reported G + C content of Gemmata obscuriglobus, Singulisphaera acidiphila and Zavarzinella formosa and G + C content calculated from their genome sequences call for emendation of their species descriptions. Lastly, in addition to other features, the range of G + C values reported for the genera within the Planctomycetaceae indicates that the descriptions of the family and the order should be emended.

59 BASIC BIOLOGICAL SCIENCES↗

SPEQTACLE: An automated generalized fuzzy C-means algorithm for tumor delineation in PET

Purpose: Accurate tumor delineation in positron emission tomography (PET) images is crucial in oncology. Although recent methods achieved good results, there is still room for improvement regarding tumors with complex shapes, low signal-to-noise ratio, and high levels of uptake heterogeneity. Methods: The authors developed and evaluated an original clustering-based method called spatial positron emission quantification of tumor—Automatic Lp-norm estimation (SPEQTACLE), based on the fuzzy C-means (FCM) algorithm with a generalization exploiting a Hilbertian norm to more accurately account for the fuzzy and non-Gaussian distributions of PET images. An automatic and reproducible estimation scheme of the norm on an image-by-image basis was developed. Robustness was assessed by studying the consistency of results obtained on multiple acquisitions of the NEMA phantom on three different scanners with varying acquisition parameters. Accuracy was evaluated using classification errors (CEs) on simulated and clinical images. SPEQTACLE was compared to another FCM implementation, fuzzy local information C-means (FLICM) and fuzzy locally adaptive Bayesian (FLAB). Results: SPEQTACLE demonstrated a level of robustness similar to FLAB (variability of 14% ± 9% vs 14% ± 7%, p = 0.15) and higher than FLICM (45% ± 18%, p < 0.0001), and improved accuracy with lower CE (14% ± 11%) over both FLICM (29% ± 29%) and FLAB (22% ± 20%) on simulated images. Improvement was significant for the more challenging cases with CE of 17% ± 11% for SPEQTACLE vs 28% ± 22% for FLAB (p = 0.009) and 40% ± 35% for FLICM (p < 0.0001). For the clinical cases, SPEQTACLE outperformed FLAB and FLICM (15% ± 6% vs 37% ± 14% and 30% ± 17%, p < 0.004). Conclusions: SPEQTACLE benefitted from the fully automatic estimation of the norm on a case-by-case basis. This promising approach will be extended to multimodal images and multiclass estimation in future developments.

60 APPLIED LIFE SCIENCES↗

SPRUCE Microtopography of Experimental Plots Derived from Terrestrial Laser Scans Beginning in 2016

This dataset consists of maps and summaries of very high resolution (1 cm2) spatial data derived from terrestrial laser scans (TLS) characterizing the microtopography (hummocks and hollows) in 12 SPRUCE experimental plots from 2016-2018. The SPRUCE experiment is located in the S1-Bog of the Marcell Experimental Forest (MEF) near Grand Rapids, Minnesota. Additional data will be added through Summer 2021.The TLS sampling plan follows the SPRUCE experimental design, with scanning of the ten enclosed treatment plots with five temperature treatments (0, 2.25, 4.5, 6.75, and 9°C) with and without elevated CO2 (~900 ppm) and the two monitored ambient plots without enclosures. Enclosures are octagonal in shape and are 12.8 m in diameter (114.8 m2 in area), 8 m tall, with a belowground corral that penetrates through the peat to glacial material below, which averages 2.5 m deep across the site. In the spring of each year, four TLS scans were taken per plot/enclosure and registered together to produce a single point cloud for each plot (Figure 2A). Digital surface models (DSMs) were generated from the point clouds and clipped to the inside boundary of the boardwalk in each plot resulting in an approximately 9 x 9 m study area. . All other characterization data types were derived from plot DSMs (elevation), including: slope (Figure 3), concavity (Figure 4), index used for microform classification (Hollow Index) (Figure 6), and microforms (Figure 2C; hummocks and hollows) classified using three methodologies.

54 ENVIRONMENTAL SCIENCES↗

What drives the scatter of local star-forming galaxies in the BPT diagrams? A Machine Learning based analysis

ABSTRACT We investigate which physical properties are most predictive of the position of local star forming galaxies on the BPT diagrams, by means of different Machine Learning (ML) algorithms. Exploiting the large statistics from the Sloan Digital Sky Survey (SDSS), we define a framework in which the deviation of star-forming galaxies from their median sequence can be described in terms of the relative variations in a variety of observational parameters. We train artificial neural networks (ANN) and random forest (RF) trees to predict whether galaxies are offset above or below the sequence (via classification), and to estimate the exact magnitude of the offset itself (via regression). We find, with high significance, that parameters primarily associated to variations in the nitrogen-over-oxygen abundance ratio (N/O) are the most predictive for the [N ii]-BPT diagram, whereas properties related to star formation (like variations in SFR or EW(H α)) perform better in the [S ii]-BPT diagram. We interpret the former as a reflection of the N/O–O/H relationship for local galaxies, while the latter as primarily tracing the variation in the effective size of the S+ emitting region, which directly impacts the [S ii] emission lines. This analysis paves the way to assess to what extent the physics shaping local BPT diagrams is also responsible for the offsets seen in high redshift galaxies or, instead, whether a different framework or even different mechanisms need to be invoked.

79 ASTRONOMY AND ASTROPHYSICS↗

Size, shade, or shape? The contribution of galaxies of different types to the star formation history of the Universe from SDSS-IV MaNGA

ABSTRACT By fitting stellar populations to the fourth generation of the Sloan Digital Sky Survey (SDSS-IV) Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) survey observations of ∼7000 suitably weighted individual galaxies, we reconstruct the star formation history of the Universe, which we find to be in reasonable agreement with previous studies. Dividing the galaxies by their present-day stellar mass, we demonstrate the downsizing phenomenon, whereby the more massive galaxies hosted the most star formation at earlier times. Further dividing the galaxy sample by colour and morphology, we find that a galaxy’s present-day colour tells us more about its historical contribution to the cosmic star formation history than its current morphology. We show that downsizing effects are greatest among galaxies currently in the blue cloud, but that the level of downsizing in galaxies of different morphologies depends quite sensitively on the morphological classification used, due largely to the difficulty in classifying the smaller low-mass galaxies from their ground-based images. Nevertheless, we find agreement that among galaxies with stellar masses $M_{\star } \gt 6\times 10^{9}\, \mathrm{ M}_{\odot }$, downsizing is most significant in spirals. However, there are complicating factors. For example, for more massive galaxies, we find that colour and morphology are predictors of the past star formation over a longer time-scale than in less massive systems. Presumably this effect is reflecting the longer period of evolution required to alter these larger galaxies’ physical properties, but shows that conclusions based on any single property do not tell the full story.

Peterken, Thomas↗

Cerium Tetrakis(tropolonate) and Cerium Tetrakis(acetylacetonate) Are Not Diamagnetic but Temperature-Independent Paramagnets

Here, a new synthesis of cerium tetrakis(tropolonate), Ce(trop) 4 , where trop is deprotonated 2-hydroxy-2,4,6-cycloheptatrienone) or Ce(O 2 C 7 H 5 ) 4 , is developed that results in dark-purple crystals whose X-ray crystal structure shows that the geometry of the eight-coordinate compound closely resembles a D 2d dodecahedron, based on shape parameters. The magnetic susceptibility as a function of the temperature (4-300 K) shows that it is a temperature-independent paramagnet, χ = 1.2(3) × 10 -4 emu/mol, and the L III -edge X-ray absorption near-edge structure spectrum shows that the molecule is multiconfigurational, comprised of a f 1 :f 0 configuration mixture in a 50:50 ratio. Ce(acac) 4 and Ce(tmtaa) 2 (where acac is acetylacetonate and tmtaaH 2 is tetramethyldibenzotetraaza[14]annulene) have similar physical properties, as does the solid-state compound CeO 2 . The concept is advanced that trop - , acac - , tmtaa 2- , cot 2- , and O 2- are redox-active ligands that function as electron donors, rendering the classification of these compounds according to their oxidation numbers misleading because their magnetic susceptibilities, χ, are positive and their effective magnetic moments, μeff, lie in the range of 0.1-0.7 μ B at 300 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The active CGCG 077-102 NED02 galaxy within the Abell 2063 galaxy cluster

Context.Within the framework of investigating the link between the central super massive black holes in the cores of galaxies and the galaxies themselves, we detected a variable X-ray source in the center of CGCG 077-102 NED02, which is a member of the CGCG 077-102 galaxy pair within the Abell 2063 cluster of galaxies. Aims.Our goal is to combine X-ray and optical data to demonstrate that this object harbors an active super massive black hole in its core, and to relate this to the dynamical status of the galaxy pair within the Abell 2063 cluster. Methods.We usedChandraandXMM-Newtonarchival data to derive the X-ray spectral shape and variability. We also obtained optical spectroscopy to detect the expected emission lines that are typically found in active galactic nuclei. Finally, we used public ZTF imaging data to investigate the optical variability. Results.There is no evidence of multiple X-ray sources or extended components within CGCG 077-102 NED02. Single X-ray spectral models fit the source well. We detect significant, nonrandom inter-observation 0.5–10 keV X-ray flux variabilities, for observations separated by ∼4 days for short-term variations and by up to ∼700 days for long-term variations. Optical spectroscopy points toward a passive galaxy for CGCG 077-102 NED01 and a Seyfert for CGCG 077-102 NED02. The classification of CGCG 077-102 NED02 is also consistent with its X-ray luminosity of over 10 42 erg s −1 . We do not detect short-term variability in the optical ZTF light curves. However, we find a significant long-term stochastic variability in theg-band that can be well described by the damped random walk model with a best-fit characteristic damping timescale ofτ DRW = 30 −12 +28 days. Finally, the CGCG 077-102 galaxy pair is deeply embedded within the Abell 2063 potential, with a long enough history within this massive structure to have been affected by the influence of this cluster for a long time. Conclusions.Our observations point toward a moderately massive black hole in the center of CGCG 077-102 NED02 of ∼10 6 M ⊙ . As compared to another similar pair in the literature, CGCG 077-102 NED02 is not heavily obscured, perhaps because of the surrounding intracluster medium ram-pressure stripping.

Astronomy & Astrophysics↗

Thin ice clouds in the Arctic: cloud optical depth and particle size retrieved from ground-based thermal infrared radiometry

Multiband downwelling thermal measurements of zenith sky radiance, along with cloud boundary heights, were used in a retrieval algorithm to estimate cloud optical depth and effective particle diameter of thin ice clouds in the Canadian High Arctic. Ground-based thermal infrared (IR) radiances for 150 semitransparent ice clouds cases were acquired at the Polar Environment Atmospheric Research Laboratory (PEARL) in Eureka, Nunavut, Canada (80° N, 86° W). We analyzed and quantified the sensitivity of downwelling thermal radiance to several cloud parameters including optical depth, effective particle diameter and shape, water vapor content, cloud geometric thickness and cloud base altitude. A lookup table retrieval method was used to successfully extract, through an optimal estimation method, cloud optical depth up to a maximum value of 2.6 and to separate thin ice clouds into two classes: (1) TIC1 clouds characterized by small crystals (effective particle diameter ≤ 30 µm), and (2) TIC2 clouds characterized by large ice crystals (effective particle diameter > 30 µm). The retrieval technique was validated using data from the Arctic High Spectral Resolution Lidar (AHSRL) and Millimeter Wave Cloud Radar (MMCR). Inversions were performed over three polar winters and results showed a significant correlation ( R 2 = 0.95) for cloud optical depth retrievals and an overall accuracy of 83 % for the classification of TIC1 and TIC2 clouds. A partial validation relative to an algorithm based on high spectral resolution downwelling IR radiance measurements between 8 and 21µm was also performed. It confirms the robustness of the optical depth retrieval and the fact that the broadband thermal radiometer retrieval was sensitive to small particle (TIC1) sizes.

54 ENVIRONMENTAL SCIENCES↗

Assessing Dynamic Time Warping Techniques for Discriminating Seismic Sources at Local and Regional Distances

Effective monitoring of seismic explosions and hazard assessment relies heavily on the accurate discrimination of underground seismic sources. This study investigates the application of novel nonlinear alignment techniques, specifically Dynamic Time Warping (DTW), for event-type discrimination at regional and local distances. Building on prior research that used DTW and Elastic Shape Analysis (ESA) in discrimination at regional distances, we evaluate the performance of recently developed variants of DTW, including a method that employs Pearson cross-correlation as a measure of warping distance and a time distortion coefficient that quantifies the type and degree of time distortion between signals. By analyzing observational datasets that include different source types, we assess the performance of these approaches for realistic monitoring scenarios. Specifically, we consider a dataset recorded at regional distances in the Korean Peninsula and a local-distance subset from the Unconstrained Utah Event Bulletin catalog to evaluate DTW-based discrimination across multiple distance scales. Additionally, we introduce the maximum cross-correlations of warped waveforms as a similarity metric for event classification. Through hierarchical cluster analysis and dendrogram interpretation, we present our findings, highlighting the strengths and limitations of these techniques in seismic event classification.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

A new sample of obscured AGNs selected from the XMM-Newton and AKARI surveys

We report a new sample of obscured active galactic nuclei (AGNs) selected from the XMM-Newton serendipitous source and AKARI point-source catalogs. We match X-ray sources with infrared (18 and 90 μm) sources located at |b|>10{sup ∘} to create a sample consisting of 173 objects. Their optical classifications and absorption column densities measured by X-ray spectra are compiled and study efficient selection criteria to find obscured AGNs. We apply the criteria (1) X-ray hardness ratio defined by using the 2–4.5 keV and 4.5–12 keV bands > −0.1 and (2) EPIC-PN count rate (CR) in the 0.2–12 keV to infrared flux ratio CR/F{sub 90}<0.1 or CR/F{sub 18}<1, where F{sub 18} and F{sub 90} are infrared fluxes at 18 and 90 μm in Jy, respectively, to search for obscured AGNs. X-ray spectra of 48 candidates, for which no X-ray results have been published, are analyzed and X-ray evidence for the presence of obscured AGNs such as a convex shape X-ray spectrum indicative of absorption of N{sub H} ∼ 10{sup 22–24} cm{sup −2}, a very flat continuum, or a strong Fe–K emission line with an equivalent width of >700 eV is found in 26 objects. Six of them are classified as Compton-thick AGNs, and four are represented by either Compton-thin or Compton-thick spectral models. The success rate of finding obscured AGNs combining our analysis and the literature is 92% if the 18 μm condition is used. Of the 26 objects, 4 are optically classified as an H ii nucleus and are new “elusive AGNs” in which star formation activity likely overwhelms AGN emission in the optical and infrared bands.

79 ASTRONOMY AND ASTROPHYSICS↗

Finding simplicity: unsupervised discovery of features, patterns, and order parameters via shift-invariant variational autoencoders *

Abstract Recent advances in scanning tunneling and transmission electron microscopies (STM and STEM) have allowed routine generation of large volumes of imaging data containing information on the structure and functionality of materials. The experimental data sets contain signatures of long-range phenomena such as physical order parameter fields, polarization, and strain gradients in STEM, or standing electronic waves and carrier-mediated exchange interactions in STM, all superimposed onto scanning system distortions and gradual changes of contrast due to drift and/or mis-tilt effects. Correspondingly, while the human eye can readily identify certain patterns in the images such as lattice periodicities, repeating structural elements, or microstructures, their automatic extraction and classification are highly non-trivial and universal pathways to accomplish such analyses are absent. We pose that the most distinctive elements of the patterns observed in STM and (S)TEM images are similarity and (almost-) periodicity, behaviors stemming directly from the parsimony of elementary atomic structures, superimposed on the gradual changes reflective of order parameter distributions. However, the discovery of these elements via global Fourier methods is non-trivial due to variability and lack of ideal discrete translation symmetry. To address this problem, we explore the shift-invariant variational autoencoders (shift-VAEs) that allow disentangling characteristic repeating features in the images, their variations, and shifts that inevitably occur when randomly sampling the image space. Shift-VAEs balance the uncertainty in the position of the object of interest with the uncertainty in shape reconstruction. This approach is illustrated for model 1D data, and further extended to synthetic and experimental STM and STEM 2D data. We further introduce an approach for training shift-VAEs that allows finding the latent variables that comport to known physical behavior. In this specific case, the condition is that the latent variable maps should be smooth on the length scale of the atomic lattice (as expected for physical order parameters), but other conditions can be imposed. The opportunities and limitations of the shift VAE analysis for pattern discovery are elucidated.

97 MATHEMATICS AND COMPUTING↗

Drop Size Distribution Variability in Central Argentina during RELAMPAGO-CACTI

The Remote sensing of Electrification, Lightning, And Meso-scale/micro-scale Processes with Adaptive Ground Observations (RELAMPAGO) and the Cloud, Aerosol, and Complex Terrain Interactions Experiment Proposal (CACTI) field campaigns provided an unprecedented thirteen-disdrometer dataset in Central Argentina during the Intensive (IOP, 15 November to 15 December 2018) and Extended (EOP, 15 October 2018 to 30 April 2019) Observational Periods. The drop size distribution (DSD) parameters and their variability were analyzed across the region of interest, which was divided into three subregions characterized by the differing proximity to the Sierras de Córdoba (SDC), in order to assess the impact of complex terrain on the DSD parameters. A rigorous quality control of the data was first performed. The frequency distributions of DSD-derived parameters were analyzed, including the normalized intercept parameter (logN w ), the mean volume diameter (D 0 ), the mean mass diameter (D m ), the shape parameter (μ), the liquid water content (LWC), and the rain rate (R). The region closest to the SDC presented higher values of logN w , lower D 0 , and higher μ, while the opposite occurred in the farthest region, i.e., the concentration of small drops decreased while the concentration of bigger drops increased with the distance to the east of the SDC. Furthermore, the region closest to the SDC showed a bimodal distribution of D 0 : the lower values of D 0 were associated with higher values of logN w and were found more frequently during the afternoon, while the higher D 0 were associated with lower logN w and occurred more frequently during the night. The data were analyzed in comparison to the statistical analysis of Dolan et al. 2018 and sorted according to the classification proposed in the cited study. The logN w -D 0 and LWC-D 0 two-dimensional distributions allowed further discussion around the applicability of other mid-latitude and global precipitation classification schemes (startiform/convection) in the region of interest. Finally, three precipitation case studies were analyzed with supporting polarimetric radar data in order to relate the DSD characteristics to the precipitation type and the microphysical processes involved in each case.

54 ENVIRONMENTAL SCIENCES↗

‘ Candidatus Dichloromethanomonas elyunquensis’ gen. nov., sp. nov., a dichloromethane-degrading anaerobe of the Peptococcaceae family

Taxonomic assignments of anaerobic dichloromethane (DCM)-degrading bacteria remain poorly constrained but are important for understanding the microbial diversity of organisms contributing to DCM turnover in environmental systems. Here, we describe the taxonomic classification of a novel DCM degrader in consortium RM obtained from pristine Rio Mameyes sediment. Phylogenetic analysis of full-length 16S rRNA gene sequences demonstrated that the DCM degrader was most closely related to members of the genera Dehalobacter and Syntrophobotulus, but sequence similarities did not exceed 94% and 93%, respectively. Genome-aggregate average amino acid identities against Peptococcaceae members did not exceed 66%, suggesting that the DCM degrader does not affiliate with any described genus. Phylogenetic analysis of conserved single-copy functional genes supported that the DCM degrader represents a novel clade. Growth strictly depended on the presence of DCM, which was consumed at a rate of 160 ± 3 μmol L -1 d -1 . The DCM degrader attained 5.25 × 10 7 ± 1.0 × 10 7 cells per μmol DCM consumed. Fluorescence in situ hybridization revealed rod-shaped cells 4 ± 0.8 μm long and 0.4 ± 0.1 μm wide. Furthermore, based on the unique phylogenetic, genomic, and physiological characteristics, we propose that the DCM degrader represents a new genus and species, ‘Candidatus Dichloromethanomonas elyunquensis’.

59 BASIC BIOLOGICAL SCIENCES↗

Automated Morphological and Morphometric Analysis of Mass Spectrometry Imaging Data: Application to Biomarker Discovery

Mass spectrometry imaging datasets are mostly analyzed in terms of average intensity in regions of interest. However, biological tissues have different morphologies with several sizes, shapes, and structures. The important biological information, contained in this highly heterogeneous cellular organization, could be hidden by analyzing the average intensities. Finding an analytical process of morphology would help to find such information, describe tissue model, and support identification of biomarkers. This study describes an informatics approach for the extraction and identification of mass spectrometry image features and its application to sample analysis and modeling. For the proof of concept, two different tissue types (healthy kidney and CT-26 xenograft tumor tissues) were imaged and analyzed. A mouse kidney model and tumor model were generated using morphometric – number of objects and total surface – information. The morphometric information was used to identify m/z that have a heterogeneous distribution. It seems to be a worthwhile pursuit as clonal heterogeneity in a tumor is of clinical relevance. This study provides a new approach to find biomarker or support tissue classification with more information. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Explainable Machine Learning for Functional Data

Black-box machine learning models are recognized as useful tools for prediction applications, but the algorithmic complexity of some models causes interpretation challenges. Explainability methods have been proposed to provide insight into these models, but there is little research focused on supervised modeling with functional data inputs. We argue that, especially in applications of high consequence, it is important to explicitly model the functional dependence in a black-box analysis to not obscure or misrepresent patterns in explanations. As such, we propose the V ariable importance E xplainable E lastic S hape A nalysis (VEESA) pipeline for training supervised machine learning models with functional inputs. The pipeline is an analysis process that includes the data preprocessing, modeling, and post-hoc explanations. The preprocessing is done using elastic functional principal components analysis, which accounts for vertical and horizontal variability in functional data and, ultimately, allows for explanations in the original data space that identify the important functional variability without bias due to correlated variables. Here, we demonstrate the pipeline on two high-consequence applications: explosives classification for national security and inkjet printer identification in forensic science. The applications exhibit the VEESA pipeline’s ability to provide an understanding of the characteristics of the functional data useful for prediction. Code for implementing the pipeline is available in the veesa R package (and supplemental python code).

Elastic Shape Analysis↗

Automating neutron resonances classification with Machine Learning [Slides]

Team reported the following accomplishments: the development of a Machine-Learning method to properly assign spins to neutron resonances (automated, general, reproducible); full integration with evaluated resonances in the Atlas (automation of new editions); training and optimization in synthetic data; validation and deployment to real experimental resonances. Future perspectives include exploration of other classifiers and hyper-parameter combinations, further validation with well-known nucleus (e.g. 235 U), and publication pipeline.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗