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Contaminant Source Identification from Finite Sensor Data: Perron–Frobenius Operator and Bayesian Inference

Sensors in the built environment ensure safety and comfort by tracking contaminants in the occupied space. In the event of contaminant release, it is important to use the limited sensor data to rapidly and accurately identify the release location of the contaminant. Identification of the release location will enable subsequent remediation as well as evacuation decision-making. In previous work, we used an operator theoretic approach—based on the Perron–Frobenius (PF) operator—to estimate the contaminant concentration distribution in the domain given a finite amount of streaming sensor data. In the current work, the approach is extended to identify the most probable contaminant release location. The release location identification is framed as a Bayesian inference problem. The Bayesian inference approach requires considering multiple release location scenarios, which is done efficiently using the discrete PF operator. The discrete PF operator provides a fast, effective and accurate model for contaminant transport modeling. The utility of our PF-based Bayesian inference methodology is illustrated using single-point release scenarios in both two and three-dimensional cases. The method provides a fast, accurate, and efficient framework for real-time identification of contaminant source location.

42 ENGINEERING↗

Heuristic based analytics for gas leak source identification

Heuristic-based techniques for gas leak source identification are provided. In one aspect, a method for identifying a location of a gas leak source includes: obtaining gas sensor data and wind data synchronously from a gas leak detection system having a network of interconnected motes comprising gas sensors and wind sensors, with the gas sensors arranged around possible gas leak sources in a given area of interest; identifying the location of the gas leak source using the gas sensor data and wind data; and determining a magnitude of gas leak from the gas leak source using the location of the gas leak source and a distance d between the location of the gas leak source and a select one of the gas sensors from which the gas sensor data was obtained. A gas leak detection system is also provided.

03 NATURAL GAS↗

Testing contamination source identification methods for water distribution networks

In the event of contamination in a water distribution network (WDN), source identification (SI) methods that analyze sensor data can be used to identify the source location(s). Knowledge of the source location and characteristics are important to inform contamination control and cleanup operations. Various SI strategies that have been developed by researchers differ in their underlying assumptions and solution techniques. The following manuscript presents a systematic procedure for testing and evaluating SI methods. The performance of these SI methods is affected by various factors including the size of WDN model, measurement error, modeling error, time and number of contaminant injections, and time and number of measurements. This paper includes test cases that vary these factors and evaluates three SI methods on the basis of accuracy and specificity. The tests are used to review and compare these different SI methods, highlighting their strengths in handling various identification scenarios. These SI methods and a testing framework that includes the test cases and analysis tools presented in this paper have been integrated into EPA’s Water Security Toolkit (WST), a suite of software tools to help researchers and others in the water industry evaluate and plan various response strategies in case of a contamination incident. Lastly, a set of recommendations are made for users to consider when working with different categories of SI methods.

54 ENVIRONMENTAL SCIENCES↗

Contaminant source identification using semi-supervised machine learning

Identification of the original groundwater types present in geochemical mixtures observed in an aquifer is a challenging but very important task. Frequently, some of the groundwater types are related to different infiltration and/or contamination sources associated with various geochemical signatures and origins. The characterization of groundwater mixing processes typically requires solving complex inverse models representing groundwater flow and geochemical transport in the aquifer, where the inverse analysis accounts for available site data. Usually, the model is calibrated against the available data characterizing the spatial and temporal distribution of the observed geochemical types. Numerous different geochemical constituents and processes may need to be simulated in these models which further complicates the analyses. In this paper, we propose a new contaminant source identification approach that performs decomposition of the observation mixtures based on Non-negative Matrix Factorization (NMF) method for Blind Source Separation (BSS), coupled with a custom semi-supervised clustering algorithm. Our methodology, called NMFk, is capable of identifying (a) the unknown number of groundwater types and (b) the original geochemical concentration of the contaminant sources from measured geochemical mixtures with unknown mixing ratios without any additional site information. NMFk is tested on synthetic and real-world site data. Finally, the NMFk algorithm works with geochemical data represented in the form of concentrations, ratios (of two constituents; for example, isotope ratios), and delta notations (standard normalized stable isotope ratios).

54 ENVIRONMENTAL SCIENCES↗

A case study in contrastive learning information combination: Application to technical forensics of additive manufacturing filament source identification

Combination of information from disparate data sources into a single decision is a core challenge in many fields, including the field of technical forensics. Technical forensics (TF) utilizes technical characterization of questioned samples to determine properties of that sample; these properties are then used to infer information of forensic interest, such as provenance, age, or attribution. TF is utilized in traditional forensic applications, such as the attribution of material fragments from an explosive, and in nuclear forensic applications, such as the attribution of actinides which have been interdicted out of regulatory control. The challenge of combining information from disparate sources, described alternately by many terms including “Data Fusion” and “Data Integration”, is exacerbated in the technical forensics domain due to at least two factors: the challenge of interpreting each information source singularly, and the relatively small data set sizes available. Extensive literature exists attempting to combine technical forensics information sources, both in manual and automated processes. These attempts are often bespoke to the specific information sources (such as the bi-, tri-, or quad-isotope chart (Moody, Grant, and Hutcheon 2005)), with some emerging examples of simple early- and late- fusion (, respectively). Simultaneous to the information combination efforts described in the previous paragraph, the field of natural language processing attempted (and largely succeeded) in combining information from multiple non-technical information sources. The ecosystem of “multi-modal” language models, which can take text and images as input, and generate text and images as output, became large and diverse by 2025 (Khan et al. 2025). In a generalized sense, many of these methods are trained by learning neural networks which can convert raw text or images into a vector of numbers describing the text or image, hereafter called “embeddings” and the neural networks performing the conversion are called “embedders”. By using a separate embedder for text and images, finding coincident text and images (such as images with their captions), and optimizing the parameters of the embedders such that the embeddings for the text and the image are similar, the field has found a bridge between text and images (Girdhar et al. 2023). It is the contention of the authors of this report that this insight is not limited to text and images but instead can be extended to any modality which can be found coincidently. The subject of the rest of this report is the application of this method to example multi-modal technical forensic data. Some details about the data used in this report are not appropriate for this report, and are included in a companion report (PNNL-38669).

36 MATERIALS SCIENCE↗

Real breakthrough in detection of radioactive sources by portal monitors with plastic detectors and New Advanced Source Identification Algorithm (ASIA-New)

Radiation Portal Monitors (RPM) with plastic detectors represent the main instruments used for primary border (customs) radiation control. RPM are widely used because they are simple, reliable, relatively inexpensive and have a high sensitivity. However, experience using the RPM in various countries has revealed the systems have some grave shortcomings. There is a dramatic decrease of the probability of detection of radioactive sources under high suppression of the natural gamma background (radiation control of heavy cargoes, containers and, especially, trains). NORM (Naturally Occurring Radioactive Material) existing in objects under control trigger the so-called 'nuisance alarms', requiring a secondary inspection for source verification. At a number of sites, the rate of such alarms is so high it significantly complicates the work of customs and border officers. This paper presents a brief description of new variant of algorithm ASIA-New (New Advanced Source Identification Algorithm), which was developed by the Rapiscan company. It also demonstrates results of different tests and the capability of a new system to overcome the shortcomings stated above. New electronics and ASIA-New enables RPM to detect radioactive sources under a high background suppression (tested at 15-30%) and to verify the detected NORM (KCl) and the artificial isotopes (Co- 57, Ba-133 and other). New variant of ASIA is based on physical principles, a phenomenological approach and analysis of some important parameter changes during the vehicle passage through the monitor control area. Thanks to this capability main advantage of new system is that this system can be easily installed into any RPM with plastic detectors. Taking into account that more than 4000 RPM has been installed worldwide their upgrading by ASIA-New may significantly increase probability of detection and verification of radioactive sources even masked by NORM. This algorithm was tested for 1,395 passages of different transports (cars, trucks and trailers) without radioactive sources. It also was tested for 4,015 passages of these transports with radioactive sources of different activity (Co-57, Ba-133, Cs-137, Co-60, Ra-226, Th-232) and these sources masked by NORM (K-40) as well. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

New Advanced Source Identification Algorithm (ASIA-NEW) for radiation monitors with plastic detectors

Radiation Portal Monitors (RPM) with plastic detectors represent the main instruments used for primary border (customs) radiation control. RPM are widely used because they are simple, reliable, relatively inexpensive and have a high sensitivity. However, experience using the RPM in various countries has revealed the systems have some grave shortcomings. There is a dramatic decrease of the probability of detection of radioactive sources under high suppression of the natural gamma background (radiation control of heavy cargoes, containers and, especially, trains). NORM (Naturally Occurring Radioactive Material) existing in objects under control trigger the so-called 'nuisance alarms', requiring a secondary inspection for source verification. At a number of sites, the rate of such alarms is so high it significantly complicates the work of customs and border officers. This paper presents a brief description of new variant of algorithm ASIA-New (New Advanced Source Identification Algorithm), which was developed by the authors and based on some experimental test results. It also demonstrates results of different tests and the capability of a new system to overcome the shortcomings stated above. New electronics and ASIA-New enables RPM to detect radioactive sources under a high background suppression (tested at 15-30%) and to verify the detected NORM (KCl) and the artificial isotopes (Co-57, Ba-133 and other). New variant of ASIA is based on physical principles and does not require a lot of special tests to attain statistical data for its parameters. That is why this system can be easily installed into any RPM with plastic detectors. This algorithm was tested for 1,395 passages of different transports (cars, trucks and trailers) without radioactive sources. It also was tested for 4,015 passages of these transports with radioactive sources of different activity (Co-57, Ba-133, Cs-137, Co-60, Ra-226, Th-232) and these sources masked by NORM (K-40) as well. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

An adaptive Gaussian process-based method for efficient Bayesian experimental design in groundwater contaminant source identification problems: ADAPTIVE GAUSSIAN PROCESS-BASED INVERSION

Surrogate models are commonly used in Bayesian approaches such as Markov Chain Monte Carlo (MCMC) to avoid repetitive CPU-demanding model evaluations. However, the approximation error of a surrogate may lead to biased estimations of the posterior distribution. This bias can be corrected by constructing a very accurate surrogate or implementing MCMC in a two-stage manner. Since the two-stage MCMC requires extra original model evaluations, the computational cost is still high. If the information of measurement is incorporated, a locally accurate approximation of the original model can be adaptively constructed with low computational cost. Based on this idea, we propose a Gaussian process (GP) surrogate-based Bayesian experimental design and parameter estimation approach for groundwater contaminant source identification problems. A major advantage of the GP surrogate is that it provides a convenient estimation of the approximation error, which can be incorporated in the Bayesian formula to avoid over-confident estimation of the posterior distribution. The proposed approach is tested with a numerical case study. Without sacrificing the estimation accuracy, the new approach achieves about 200 times of speed-up compared to our previous work using two-stage MCMC.

Zhang, Jiangjiang↗

Nonnegative tensor factorization for contaminant source identification

Unsupervised Machine Learning (ML) is becoming increasingly popular for solving various types of data analytics problems including feature extraction, blind source separation, exploratory analyses, model diagnostics, etc. In this work, we have developed a new unsupervised ML method based on Nonnegative Tensor Factorization (NTF) for identification of the original groundwater types (including contaminant sources) present in geochemical mixtures observed in an aquifer. Frequently, groundwater types with different geochemical signatures are related to different background and/or contamination sources. The characterization of groundwater mixing processes is a challenging but very important task critical for any environmental management project aiming to characterize the fate and transport of contaminants in the subsurface and perform contaminant remediation. This task typically requires solving complex inverse models representing groundwater flow and geochemical transport in the aquifer, where the inverse analysis accounts for available site data. Usually, the model is calibrated against the available data characterizing the spatial and temporal distribution of the observed geochemical types. Numerous different geochemical constituents and processes may need to be simulated in these models which further complicates the analyses. Additionally, the application of inverse methods may introduce biases in the analyses through the assumptions made in the model development process. Here, we substitute the model inversion with unsupervised ML analysis. The ML analysis does not make any assumptions about underlying physical and geochemical processes occurring in the aquifer. Our ML methodology, called NTFk, is capable of identifying (1) the unknown number of groundwater types (contaminant sources) present in the aquifer, (2) the original geochemical concentrations (signatures) of these groundwater types and (3) spatial and temporal dynamics in the mixing of these groundwater types. These results are obtained only from the measured geochemical data without any additional site information. In general, the NTFk methodology allows for interpretation of large high-dimensional datasets representing diverse spatial and temporal components such as state variables and velocities. NTFk has been tested on synthetic and real-world site three-dimensional datasets. Finally, the NTFk algorithm is designed to work with geochemical data represented in the form of concentrations, ratios (of two constituents; for example, isotope ratios), and delta notations (standard normalized stable isotope ratios).

58 GEOSCIENCES↗

Source identification by non-negative matrix factorization combined with semi-supervised clustering

Machine-learning methods and apparatus are provided to solve blind source separation problems with an unknown number of sources and having a signal propagation model with features such as wave-like propagation, medium-dependent velocity, attenuation, diffusion, and/or advection, between sources and sensors. In exemplary embodiments, multiple trials of non-negative matrix factorization are performed for a fixed number of sources, with selection criteria applied to determine successful trials. A semi-supervised clustering procedure is applied to trial results, and the clustering results are evaluated for robustness using measures for reconstruction quality and cluster separation. The number of sources is determined by comparing these measures for different trial numbers of sources. Source locations and parameters of the signal propagation model can also be determined. Disclosed methods are applicable to a wide range of spatial problems including chemical dispersal, pressure transients, and electromagnetic signals, and also to non-spatial problems such as cancer mutation.

97 MATHEMATICS AND COMPUTING↗

Source identification by non-negative matrix factorization combined with semi-supervised clustering

Machine-learning methods and apparatus are provided to solve blind source separation problems with an unknown number of sources and having a signal propagation model with features such as wave-like propagation, medium-dependent velocity, attenuation, diffusion, and/or advection, between sources and sensors. In exemplary embodiments, multiple trials of non-negative matrix factorization are performed for a fixed number of sources, with selection criteria applied to determine successful trials. A semi-supervised clustering procedure is applied to trial results, and the clustering results are evaluated for robustness using measures for reconstruction quality and cluster separation. The number of sources is determined by comparing these measures for different trial numbers of sources. Source locations and parameters of the signal propagation model can also be determined. Disclosed methods are applicable to a wide range of spatial problems including chemical dispersal, pressure transients, and electromagnetic signals, and also to non-spatial problems such as cancer mutation.

Alexandrov, Boian S.↗

SOURCE IDENTIFICATION IN THE IGR J17448-3232 FIELD: DISCOVERY OF THE SCORPIUS GALAXY CLUSTER

We use a 43 ks XMM-Newton observation to investigate the nature of sources first distinguished by a follow-up Chandra observation of the field surrounding INTEGRAL source IGR J17448-3232, which includes extended emission and a bright point source previously classified as a blazar. We establish that the extended emission is a heretofore unknown massive galaxy cluster hidden behind the Galactic bulge. The emission-weighted temperature of the cluster within the field of view is 8.8 keV, with parts of the cluster reaching temperatures of up to 12 keV; no cool core is evident. At a redshift of 0.055, the cluster is somewhat under-luminous relative to the X-ray luminosity-temperature relation, which may be attributable to its dynamical state. We present a preliminary analysis of its properties in this paper. We also confirm that the bright point source is a blazar, and we propose that it is either a flat spectrum radio quasar or a low-frequency peaked BL Lac object. We find four other fainter sources in the field, which we study and tentatively identify. Only one, which we propose is a foreground Galactic X-ray binary, is hard enough to contribute to IGR J17448-3232, but it is too faint to be significant. We thus determine that IGR J17448-3232 is in fact the galaxy cluster up to ≈45 keV and the blazar beyond.

79 ASTRONOMY AND ASTROPHYSICS↗

Source identification of human exposure to lead in nine Cree Nations from Quebec, Canada (Eeyou Istchee territory)

Highlights: • Lead exposure remains a public health issue, especially in Indigenous communities who may rely on a subsistence diet. • We investigate sources of lead exposure in all 9 First Nations in Quebec, Canada. • Elevated levels of lead were found to be associated with hunting practices and consumption of traditional foods. • Educational campaigns and cost reductions in non-toxicsubstitutes may aid in reducing lead exposure. While policies to decrease lead in the environment have been implemented to reduce human exposure to various lead sources, the use of lead ammunition to harvest wild game may continue to contribute significantly to human blood lead levels (BLLs). As part of a multi-community environment-and-health study, BLLs representing all age groups were evaluated in the nine Cree Nations located in the James and Hudson Bay regions of Quebec, Canada. Personal, market food, traditional food and 24-h recall questionnaires were administered. Predictor variables were assessed for various exposure sources, including diet and hunting practices. Elevated BLLs were observed in association with increased hunting status, use of firearms and leaded ammunition, and consumption of traditional foods. Significant differences were observed between all communities, age groups and sexes. Recommendations include educational campaigns that promote switching to non-lead ammunition and, if lead ammunition continues to be used, careful removal from tissues of pellets, bullet fragments and ammunition paths.

54 ENVIRONMENTAL SCIENCES↗

CANDELS Multi-Wavelength Catalogs: Source identification and photometry in the CANDELS COSMOS survey field

We present a multi-wavelength photometric catalog in the COSMOS field as part of the observations by the Cosmic Assembly Near-infrared Deep Extragalactic Legacy Survey. The catalog is based on Hubble Space Telescope Wide Field Camera 3 (HST/WFC3) and Advanced Camera for Surveys observations of the COSMOS field (centered at R.A.: 10{sup h}00{sup m}28{sup s}, Decl.: +02{sup ∘}12{sup ′}21{sup ′′}). The final catalog has 38671 sources with photometric data in 42 bands from UV to the infrared (∼0.3--8 μm). This includes broadband photometry from HST, CFHT, Subaru, the Visible and Infrared Survey Telescope for Astronomy, and Spitzer Space Telescope in the visible, near-infrared, and infrared bands along with intermediate- and narrowband photometry from Subaru and medium-band data from Mayall NEWFIRM. Source detection was conducted in the WFC3 F160W band (at 1.6 μm) and photometry is generated using the Template FITting algorithm. We further present a catalog of the physical properties of sources as identified in the HST F160W band and measured from the multi-band photometry by fitting the observed spectral energy distributions of sources against templates.

79 ASTRONOMY AND ASTROPHYSICS↗

CANDELS Multi-wavelength Catalogs: Source Identification and Photometry in the CANDELS Extended Groth Strip

We present a 0.4–8 μm multi-wavelength photometric catalog in the Extended Groth Strip (EGS) field. This catalog is built on the Hubble Space Telescope (HST) WFC3 and ACS data from the Cosmic Assembly Near-infrared Deep Extragalactic Legacy Survey (CANDELS), and it incorporates the existing HST data from the All-wavelength Extended Groth strip International Survey (AEGIS) and the 3D-HST program. The catalog is based on detections in the F160W band reaching a depth of F160W = 26.62 AB (90% completeness, point sources). It includes the photometry for 41,457 objects over an area of ≈206 arcmin{sup 2} in the following bands: HST/ACS F606W and F814W; HST WFC3 F125W, F140W, and F160W; Canada–France–Hawaii Telescope (CFHT)/Megacam u*, g{sup ′}, r{sup ′}, i{sup ′} and z{sup ′}; CFHT/WIRCAM J, H, and K {sub S}; Mayall/NEWFIRM J1, J2, J3, H1, H2, and K; Spitzer IRAC 3.6, 4.5, 5.8, and 8.0 μm. We are also releasing value-added catalogs that provide robust photometric redshifts and stellar mass measurements. The catalogs are publicly available through the CANDELS repository.

79 ASTRONOMY AND ASTROPHYSICS↗