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At least 559 records · Page 31

Can Selforganizing Maps Accurately Predict Photometric Redshifts?

We present an unsupervised machine-learning approach that can be employed for estimating photometric redshifts. The proposed method is based on a vector quantization called the self-organizing-map (SOM) approach. A variety of photometrically derived input values were utilized from the Sloan Digital Sky Survey's main galaxy sample, luminous red galaxy, and quasar samples, along with the PHAT0 data set from the Photo-z Accuracy Testing project. Regression results obtained with this new approach were evaluated in terms of root-mean-square error (RMSE) to estimate the accuracy of the photometric redshift estimates. The results demonstrate competitive RMSE and outlier percentages when compared with several other popular approaches, such as artificial neural networks and Gaussian process regression. SOM RMSE results (using delta(z) = z(sub phot) - z(sub spec)) are 0.023 for the main galaxy sample, 0.027 for the luminous red galaxy sample, 0.418 for quasars, and 0.022 for PHAT0 synthetic data. The results demonstrate that there are nonunique solutions for estimating SOM RMSEs. Further research is needed in order to find more robust estimation techniques using SOMs, but the results herein are a positive indication of their capabilities when compared with other well-known methods

Way, Michael J.↗

shiftNMFk 1.1: Robust Nonnegative matrix factorization with kmeans clustering and signal shift, for allocation of unknown physical sources, toy version for open sourcing with publications

This code is a toy (short) version of CODE-2016-83. From a general perspective, the code represents an unsupervised adaptive machine learning algorithm that allows efficient and high performance de-mixing and feature extraction of a multitude of non-negative signals mixed and recorded by a network of uncorrelated sensor arrays. The code identifies the number of the mixed original signals and their locations. Further, the code also allows deciphering of signals that have been delayed in regards to the mixing process in each sensor. This code is high customizable and it can be efficiently used for a fast macro-analyses of data. The code is applicable to a plethora of distinct problems: chemical decomposition, pressure transient decomposition, unknown sources/signal allocation, EM signal decomposition. An additional procedure for allocation of the unknown sources is incorporated in the code.

Alexandrov, Boian S.↗

Locating underground features with seismic data processing

Methods are presented for determining the location of underground features (e.g., CO 2 ). One method includes capturing, by sensors distributed throughout a region, seismic traces associated with seismic signals generated by a seismic source. For multiple sensors, active noise is identified or passive noise is measured within each seismic trace and values for attributes associated with the active or passive noise are determined. Further, an unsupervised machine-learning model, based on the values of the attributes, is utilized to determine noise characteristics for multiple sensors. The sensors are grouped in clusters based on the noise characteristics for each sensor. For multiple clusters, a noise filter is created based on the noise characteristics of the sensors in the cluster, and the noise filter of the cluster is applied, for multiple sensors, to the seismic traces of the sensor. Additionally, the filtered seismic traces are analyzed to determine a location of CO 2 underground.

47 OTHER INSTRUMENTATION↗

Unsupervised Anomaly Detection in High-Dimensional Flight Data Using Convolutional Variational Auto-Encoder

The modern National Airspace System (NAS) is an extremely safe system and the aviation industry has experienced a steady decrease in fatalities over the years. This can be attributed to both improved flight critical systems with redundant hardware and software protections, as well as an increased focus on active monitoring and response to real time and historically identified vulnerabilities by implementing more resilient procedures and protocols. The main approach for identifying vulnerabilities in operations leverages domain expertise using knowledge about how the system should behave within the expected tolerances to known safety margins. This approach works well when the system has a well-defined operating condition. However, the operations in the NAS can be highly complex with various nuances that render it difficult to clearly pre-define all known safety vulnerabilities. With the advancement of data science and machine learning techniques, the potential to automatically identify emerging vulnerabilities in the observed operations has become more practical in recent years. The state-of-the-art anomaly detection approaches in aerospace data usually rely on supervised or semi-supervised learning. However, in many real-world problems such as flight safety, creating labels for the data requires huge amount of effort and is largely impractical. To address this challenge, we developed a Convolutional Variational Auto-Encoder (CVAE), which is an unsupervised learning approach for anomaly detection in high-dimensional heterogeneous time-series data. We validate performance of CVAE compared to the state-of-the-art supervised learning approach as well as unsupervised clustering-based approach using KMeans++ and kernel-based approach using One-Class Support Vector Machine (OC-SVM) on Yahoo!'s benchmark time series anomaly detection data. Finally, we showcase performance of CVAE on a case study of identifying anomalies in the first 60 seconds of commercial flights' take-offs using Flight Operational Quality Assurance (FOQA) data.

Memarzadeh, Milad↗

Classification of multispectral image data by the Binary Diamond neural network and by nonparametric, pixel-by-pixel methods

The classification of multispectral image data obtained from satellites has become an important tool for generating ground cover maps. This study deals with the application of nonparametric pixel-by-pixel classification methods in the classification of pixels, based on their multispectral data. A new neural network, the Binary Diamond, is introduced, and its performance is compared with a nearest neighbor algorithm and a back-propagation network. The Binary Diamond is a multilayer, feed-forward neural network, which learns from examples in unsupervised, 'one-shot' mode. It recruits its neurons according to the actual training set, as it learns. The comparisons of the algorithms were done by using a realistic data base, consisting of approximately 90,000 Landsat 4 Thematic Mapper pixels. The Binary Diamond and the nearest neighbor performances were close, with some advantages to the Binary Diamond. The performance of the back-propagation network lagged behind. An efficient nearest neighbor algorithm, the binned nearest neighbor, is described. Ways for improving the performances, such as merging categories, and analyzing nonboundary pixels, are addressed and evaluated.

Salu, Yehuda↗

Machine Learning in Multimodal Medical Imaging

Machine learning techniques have been increasingly applied in the medical imaging field for developing computer-aided diagnosis and prognosis models. Multimodal medical imaging can provide us with separate yet complementary structure and function information of a patient study and hence has transformed the way we study living bodies. Therefore, using machine learning techniques to deal with multimodal medical images is much more challenging due to the diversity of biophysical-biochemical mechanisms. In these years, researchers mainly adapt modern machine learning and pattern recognition techniques such as supervised, unsupervised, semi-supervised, and deep learning to solve multimodal medical imaging related problems.

60 APPLIED LIFE SCIENCES↗

Fast and efficient identification of anomalous galaxy spectra with neural density estimation

ABSTRACT Current large-scale astrophysical experiments produce unprecedented amounts of rich and diverse data. This creates a growing need for fast and flexible automated data inspection methods. Deep learning algorithms can capture and pick up subtle variations in rich data sets and are fast to apply once trained. Here, we study the applicability of an unsupervised and probabilistic deep learning framework, the probabilistic auto-encoder, to the detection of peculiar objects in galaxy spectra from the SDSS survey. Different to supervised algorithms, this algorithm is not trained to detect a specific feature or type of anomaly, instead it learns the complex and diverse distribution of galaxy spectra from training data and identifies outliers with respect to the learned distribution. We find that the algorithm assigns consistently lower probabilities (higher anomaly score) to spectra that exhibit unusual features. For example, the majority of outliers among quiescent galaxies are E+A galaxies, whose spectra combine features from old and young stellar population. Other identified outliers include LINERs, supernovae, and overlapping objects. Conditional modelling further allows us to incorporate additional information. Namely, we evaluate the probability of an object being anomalous given a certain spectral class, but other information such as metrics of data quality or estimated redshift could be incorporated as well. We make our code publicly available.

Böhm, Vanessa↗

Unsupervised Anomaly Detection in High-Dimensional Flight Data Using Convolutional Variational Auto-Encoder

The modern National Airspace System (NAS) is an extremely safe system. The industry has experienced a steady decrease in fatalities over the years. This can be contributed to both improved flight critical systems with redundant hardware and software protections as well as an increased focus on active monitoring and response to real time and historically identified vulnerabilities by implementing more resilient procedures and protocols. The main practice for identifying vulnerabilities in operations leverages domain expertise using knowledge about how the system should behave with the expected tolerances to known safety margins. This approach works well when the system has a well-defined operating condition. However, the operations in the NAS can be highly complex with various nuances that render it difficult to clearly pre-define all known safety vulnerabilities. With the advancement of data science and machine learning techniques, the potential to automatically identify emerging vulnerabilities in the observed operations has become more practical in recent years. The state-of-the-art anomaly detection approaches in aerospace data usually rely on supervised or semi-supervised learning. However, in many real-world problems such as flight safety creating labels for the data requires huge amount of efforts and is largely expensive. As a result, in this article, we develop a Convolutional Variational Auto-Encoder (CVAE), an unsupervised learning approach for anomaly detection in high-dimensional heterogeneous time-series data. We validate performance of CVAE compared to the state-of-the-art supervised learning approach (as an upper bound) as well as an supervised clustering based on K-Means (as a lower bound) on Yahoo!'s benchmark time series anomaly detection data. Finally, we showcase performance of CVAE on a case study of identifying anomalies in the first 60 seconds of commercial flights' take-offs using Flight Operational Quality Assurance (FOQA) data.

Milad Memarzadeh↗

Machine learning to discover mineral trapping signatures due to CO 2 injection

Mineral trapping is pursued as a geological CO 2 sequestration (GCS) mechanism because it permanently stores CO 2 in solid phases or minerals. However, CO 2 mineral-trapping mechanisms are poorly understood due to (1) lack of sufficient field and laboratory data characterizing these complex processes, and (2) challenges to develop site-specific reactive-transport models coupling fluid flow and geochemical reactions occurring at various temporal (from milliseconds to years) and spatial (from pore (millimeters) to field (kilometers)) scales. Reactive transport with additional complexities such as heterogeneity can make the simulation outputs even more difficult to interpret because of complex nonlinearity and multi-scale interdependencies. Furthermore, the values of model outputs such as concentrations can vary by several orders of magnitude, making it harder to correlate and characterize the impact of the variables via traditional data interpretation techniques such as exploratory data analyses. Recently, machine learning (ML) has shown promise in feature discovery and in highlighting hidden mechanisms that cannot be obtained by existing data-analytics and statistical methods. In this study, we applied an unsupervised ML approach, non-negative matrix factorization with custom -means clustering (NMF) to the data generated by reactive-transport simulations of GCS. The reactive-transport data consisted of 19 attributes, including four physio-chemical variables (pH, porosity, aqueous CO 2 , and sequestered CO 2 ), six chemical species (K + , Na + , HCO, Ca 2+ , Mg 2+ , Fe 2+ ), and four carbonate minerals (calcite, dolomite, siderite, and ankerite), a feldspar mineral (albite), and four clay minerals (illite, clinochlore, kaolinite, and smectite) over a period of 200 years of simulation time. Furthermore, the simulation data used was for Morrow B sandstone at the Farnsworth hydrocarbon unit in Texas. Data are sampled at two locations within the model domain: (1) at the injection well and (2) 200 m west of the injection well. The injection was performed for a period of 10 years. Using NMF, we estimated the temporal interdependencies among the 19 attributes over a span of 200 years. We found that NMF was able to identify four reaction stages and their dominant attributes; these cannot be directly discerned through traditional visualization (e.g., line plots, Pareto analysis, Glyph-based visualization methods) or exploratory data analysis tools of the simulation data. The four stages were: reactions in the injection phase followed by short-, mid-, and long-term reactions. The NMF analysis also revealed that 10 among the 19 attributes are dominant. These dominant attributes for mineral trapping include calcite, dolomite at injection well, siderite at 200 m away from the injection well, clinochlore, kaolinite, Na + , K + , Ca 2+ , Mg 2+ , pH, and aqeuous CO 2 . Finally, at late times (65–200 years), our results showed that calcite plays a major role in mineral trapping with insignificant contribution from siderite, ankerite, and clay minerals. These findings make the proposed unsupervised ML-model attractive for reactive-transport sensing towards real-time GCS monitoring.

54 ENVIRONMENTAL SCIENCES↗

Non-negative Tensor Factorization for Robust Exploratory Big-Data Analytics

Currently, large multidimensional datasets are being accumulated in almost every field. Data are: (1) collected by distributed sensor networks in real-time all over the globe, (2) produced by large-scale experimental measurements or engineering activities, (3) generated by high-performance simulations, and (4) gathered by electronic communications and socialnetwork activities, etc. Simultaneous analysis of these ultra-large heterogeneous multidimensional datasets is often critical for scientific discoveries, decision-making, emergency response, and national and global security. The importance of such analyses mandates the development of the next-generation of robust machine learning (ML) methods and tools for bigdata exploratory analysis.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Identification of Security related Bug Reports via Text Mining using Supervised and Unsupervised Classification

This paper is focused on automated classification of software bug reports to security and non-security related, using both supervised and unsupervised approaches. For both approaches, three types of feature vectors are used. For supervised learning, we experiment with multiple learning algorithms and training sets with different sizes. Furthermore, we propose a novel unsupervised approach based on anomaly detection. The evaluated is based on three NASA datasets. The results show that supervised classification is affected more by the learning algorithms than by feature vectors and using only 25% of the data for training provides as good results as if 90% of data are used for training. Both supervised and unsupervised learning can be used for identification of security bug reports; the former slightly outperforms the latter at the expense of labeling the testing set. In general, the performance differs across datasets, mainly due to the different amounts of security related information.

Goseva-Popstojanova, Katerina↗

Metric Learning to Enhance Hyperspectral Image Segmentation

Unsupervised hyperspectral image segmentation can reveal spatial trends that show the physical structure of the scene to an analyst. They highlight borders and reveal areas of homogeneity and change. Segmentations are independently helpful for object recognition, and assist with automated production of symbolic maps. Additionally, a good segmentation can dramatically reduce the number of effective spectra in an image, enabling analyses that would otherwise be computationally prohibitive. Specifically, using an over-segmentation of the image instead of individual pixels can reduce noise and potentially improve the results of statistical post-analysis. In this innovation, a metric learning approach is presented to improve the performance of unsupervised hyperspectral image segmentation. The prototype demonstrations attempt a superpixel segmentation in which the image is conservatively over-segmented; that is, the single surface features may be split into multiple segments, but each individual segment, or superpixel, is ensured to have homogenous mineralogy.

Thompson, David R.↗

Machine Learning Correlation of Electron Micrographs and ToF-SIMS for the Analysis of Organic Biomarkers in Mudstone

The spatial distribution of organics in geological samples can be used to determine when and how these organics were incorporated into the host rock. Mass spectrometry (MS) imaging can rapidly collect a large amount of data, but ions produced are mixed without discrimination, resulting in complex mass spectra that can be difficult to interpret. Here, we apply unsupervised and supervised machine learning (ML) to help interpret spectra from time-of-flight-secondary ion mass spectrometry (ToF-SIMS) of an organic-carbon-rich mudstone of the Middle Jurassic of England (UK). It was previously shown that the presence of sterane molecular biomarkers in this sample can be detected via ToF-SIMS (Pasterski, M. J. et al., Astrobiology 2023, 23, 936). We use unsupervised ML on scanning electron microscopy–electron dispersive spectroscopy (SEM-EDS) measurements to define compositional categories based on differences in elemental abundances. We then test the ability of four ML algorithms─k-nearest neighbors (KNN), recursive partitioning and regressive trees (RPART), eXtreme gradient boost (XGBoost), and random forest (RF)─to classify the ToF-SIM spectra using (1) the categories assigned via SEM-EDS, (2) organic and inorganic labels assigned via SEM-EDS, and (3) the presence or absence of detectable steranes in ToF-SIMS spectra. In terms of predictive accuracy and balanced accuracy, KNN was the best performing model and RPART the worst. The feature importance, or the specific features of the ToF-SIM spectra used by the models to make classifications, cannot be determined for KNN, preventing posthoc model interpretation. Nevertheless, the feature importance extracted from the other models was useful for interpreting spectra. In conclusion, we determined that some of the organic ions used to classify biomarker containing spectra may be fragment ions derived from kerogen which is abundant in this mudstone sample.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A transfer learning approach for acoustic emission zonal localization on steel plate-like structure using numerical simulation and unsupervised domain adaptation

The detection and localization of damage in metallic structures using acoustic emission (AE) monitoring and artificial intelligence technology such as deep learning has been widely studied. However, a current challenge of this approach is the difficulty of obtaining sufficient labeled historical AE signals for the training process of deep learning models. This problem can be approached through the implementation of transfer learning. The innovation of this paper lies in the development of a transfer learning approach for AE source localization on a stainless-steel structure when no historical labeled AE signals are available for training. A finite element model is developed to generate numerical AE signals for the training. Unsupervised domain adaptation (UDA) technology is utilized to reduce the distribution difference between the numerical and the realistic AE signals and to derive the localization results of the unlabeled realistic AE signals. Finally, the results suggest that the proposed approach is capable of localizing AE signals with high accuracy in the absence of labeled training data.

42 ENGINEERING↗

Machine-learning based approach to examine ecological processes influencing the diversity of riverine dissolved organic matter composition

Dissolved organic matter (DOM) assemblages in freshwater rivers are formed from mixtures of simple to complex compounds that are highly variable across time and space. These mixtures largely form due to the environmental heterogeneity of river networks and the contribution of diverse allochthonous and autochthonous DOM sources. Most studies are, however, confined to local and regional scales, which precludes an understanding of how these mixtures arise at large, e.g., continental, spatial scales. The processes contributing to these mixtures are also difficult to study because of the complex interactions between various environmental factors and DOM. Here we propose the use of machine learning (ML) approaches to identify ecological processes contributing toward mixtures of DOM at a continental-scale. We related a dataset that characterized the molecular composition of DOM from river water and sediment with Fourier-transform ion cyclotron resonance mass spectrometry to explanatory physicochemical variables such as nutrient concentrations and stable water isotopes ( 2 H and 18 O). Using unsupervised ML, distinctive clusters for sediment and water samples were identified, with unique molecular compositions influenced by environmental factors like terrestrial input and microbial activity. Sediment clusters showed a higher proportion of protein-like and unclassified compounds than water clusters, while water clusters exhibited a more diversified chemical composition. We then applied a supervised ML approach, involving a two-stage use of SHapley Additive exPlanations (SHAP) values. In the first stage, SHAP values were obtained and used to identify key physicochemical variables. These parameters were employed to train models using both the default and subsequently tuned hyperparameters of the Histogram-based Gradient Boosting (HGB) algorithm. The supervised ML approach, using HGB and SHAP values, highlighted complex relationships between environmental factors and DOM diversity, in particular the existence of dams upstream, precipitation events, and other watershed characteristics were important in predicting higher chemical diversity in DOM. Our data-driven approach can now be used more generally to reveal the interplay between physical, chemical, and biological factors in determining the diversity of DOM in other ecosystems.

54 ENVIRONMENTAL SCIENCES↗

Discovering hidden geothermal signatures using non-negative matrix factorization with customized k-means clustering

Discovery of hidden geothermal resources is challenging. It requires the mining of large datasets with diverse data attributes representing subsurface hydrogeological and geothermal conditions. The commonly used play fairway analysis approach typically incorporates subject-matter expertise to analyze regional data to estimate geothermal characteristics and favorability. We demonstrate an alternative approach based on machine learning (ML) to process a geothermal dataset from southwest New Mexico (SWNM). The study region includes low- and medium-temperature hydrothermal systems. Several of these systems are not well characterized because of insufficient existing data and limited past explorative work. This study discovers hidden patterns and relations in the SWNM geothermal dataset to improve our understanding of the regional hydrothermal conditions and energy-production favorability. This understanding is obtained by applying an unsupervised ML algorithm based on non-negative matrix factorization coupled with customized k-means clustering (NMFk). NMFk can automatically identify (1) hidden signatures characterizing analyzed datasets, (2) the optimal number of these signatures, (3) the dominant data attributes associated with each signature, and (4) the spatial distribution of the extracted signatures. Here, in this study, NMFk is applied to analyze 18 geological, geophysical, hydrogeological, and geothermal attributes at 44 locations in SWNM. Using NMFk, we find data patterns and identify the spatial associations of hydrothermal signatures within two physiographic provinces (Colorado Plateau and Basin and Range) and two sub-regions of these provinces (the Mogollon-Datil volcanic field and the Rio Grande rift) in SWNM. The ML algorithm extracted five hydrothermal signatures in the SWNM datasets that differentiate between low (<90°C) and medium (90-150°C)-temperature hydrothermal systems. The algorithm also suggests that the Rio Grande rift and northern Mogollon-Datil volcanic field are the most favorable regions for future geothermal resource discovery. NMFk also identified critical attributes to identify medium-temperature hydrothermal systems in the study area. The resulting NMFk model can be applied to predict geothermal conditions and their uncertainties at new SWNM locations based on limited data from unexplored regions. The code to execute the performed analyses as well as the corresponding data can be found at https://github.com/SmartTensors/GeoThermalCloud.jl.

15 GEOTHERMAL ENERGY↗