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At least 343 records · Page 19

The maximum clique enumeration problem: algorithms, applications, and implementations

Background: The maximum clique enumeration (MCE) problem asks that we identify all maximum cliques in a finite, simple graph. MCE is closely related to two other well-known and widely-studied problems: the maximum clique optimization problem, which asks us to determine the size of a largest clique, and the maximal clique enumeration problem, which asks that we compile a listing of all maximal cliques. Naturally, these three problems are N P -hard, given that they subsume the classic version of the N P -complete clique decision problem. MCE can be solved in principle with standard enumeration methods due to Bron, Kerbosch, Kose and others. Unfortunately, these techniques are ill-suited to graphs encountered in our applications. We must solve MCE on instances deeply seeded in data mining and computational biology, where high-throughput data capture often creates graphs of extreme size and density. MCE can also be solved in principle using more modern algorithms based in part on vertex cover and the theory of fixed-parameter tractability (FPT). While FPT is an improvement, these algorithms too can fail to scale sufficiently well as the sizes and densities of our datasets grow. Results: An extensive testbed of benchmark graphs are created using publicly available transcriptomic datasets from the Gene Expression Omnibus (GEO). Empirical testing reveals crucial but latent features of such high-throughput biological data. In turn, it is shown that these features distinguish real data from random data intended to reproduce salient topological features. In particular, with real data there tends to be an unusually high degree of maximum clique overlap. Armed with this knowledge, novel decomposition strategies are tuned to the data and coupled with the best FPT MCE implementations. Conclusions: Several algorithmic improvements to MCE are made which progressively decrease the run time on graphs in the testbed. Frequently the final runtime improvement is several orders of magnitude. As a result, instances which were once prohibitively time-consuming to solve are brought into the domain of realistic feasibility.

59 BASIC BIOLOGICAL SCIENCES↗

Intelligent Systems: Terrestrial Observation and Prediction Using Remote Sensing Data

NASA has made science and technology investments to better utilize its large space-borne remote sensing data holdings of the Earth. With the launch of Terra, NASA created a data-rich environment where the challenge is to fully utilize the data collected from EOS however, despite unprecedented amounts of observed data, there is a need for increasing the frequency, resolution, and diversity of observations. Current terrestrial models that use remote sensing data were constructed in a relatively data and compute limited era and do not take full advantage of on-line learning methods and assimilation techniques that can exploit these data. NASA has invested in visualization, data mining and knowledge discovery methods which have facilitated data exploitation, but these methods are insufficient for improving Earth science models that have extensive background knowledge nor do these methods refine understanding of complex processes. Investing in interdisciplinary teams that include computational scientists can lead to new models and systems for online operation and analysis of data that can autonomously improve in prediction skill over time.

Coughlan, Joseph C.↗

Journal of Air Transportation, Volume 12, No. 1

Topics discussed include: a) Data Mining Methods Applied to Flight Operations Quality Assurance Data: A Comparison to Standard Statistical Methods; b) Financial Comparisons across Different Business Models in the Canadian Airline Industry; c) Carving a Niche for the "No-Frills" Carrier, Air Arabia, in Oil-Rich Skies; d) Situational Leadership in Air Traffic Control; and e) The Very Light Jet Arrives: Stakeholders and Their Perceptions.

Bowers, Brent D.↗

General Purpose Data-Driven Monitoring for Space Operations

As modern space propulsion and exploration systems improve in capability and efficiency, their designs are becoming increasingly sophisticated and complex. Determining the health state of these systems, using traditional parameter limit checking, model-based, or rule-based methods, is becoming more difficult as the number of sensors and component interactions grow. Data-driven monitoring techniques have been developed to address these issues by analyzing system operations data to automatically characterize normal system behavior. System health can be monitored by comparing real-time operating data with these nominal characterizations, providing detection of anomalous data signatures indicative of system faults or failures. The Inductive Monitoring System (IMS) is a data-driven system health monitoring software tool that has been successfully applied to several aerospace applications. IMS uses a data mining technique called clustering to analyze archived system data and characterize normal interactions between parameters. The scope of IMS based data-driven monitoring applications continues to expand with current development activities. Successful IMS deployment in the International Space Station (ISS) flight control room to monitor ISS attitude control systems has led to applications in other ISS flight control disciplines, such as thermal control. It has also generated interest in data-driven monitoring capability for Constellation, NASA's program to replace the Space Shuttle with new launch vehicles and spacecraft capable of returning astronauts to the moon, and then on to Mars. Several projects are currently underway to evaluate and mature the IMS technology and complementary tools for use in the Constellation program. These include an experiment on board the Air Force TacSat-3 satellite, and ground systems monitoring for NASA's Ares I-X and Ares I launch vehicles. The TacSat-3 Vehicle System Management (TVSM) project is a software experiment to integrate fault and anomaly detection algorithms and diagnosis tools with executive and adaptive planning functions contained in the flight software on-board the Air Force Research Laboratory TacSat-3 satellite. The TVSM software package will be uploaded after launch to monitor spacecraft subsystems such as power and guidance, navigation, and control (GN&C). It will analyze data in real-time to demonstrate detection of faults and unusual conditions, diagnose problems, and react to threats to spacecraft health and mission goals. The experiment will demonstrate the feasibility and effectiveness of integrated system health management (ISHM) technologies with both ground and on-board experiments.

Iverson, David L.↗

Revamping Spacecraft Operational Intelligence

The EPOXI flight mission has been testing a new commercial system, Splunk, which employs data mining techniques to organize and present spacecraft telemetry data in a high-level manner. By abstracting away data-source specific details, Splunk unifies arbitrary data formats into one uniform system. This not only reduces the time and effort for retrieving relevant data, but it also increases operational visibility by allowing a spacecraft team to correlate data across many different sources. Splunk's scalable architecture coupled with its graphing modules also provide a solid toolset for generating data visualizations and building real-time applications such as browser-based telemetry displays.

Hwang, Victor↗

NASA Remote Sensing Data in Earth Sciences: Processing, Archiving, Distribution, Applications at the GES DISC

The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) is one of the major Distributed Active Archive Centers (DAACs) archiving and distributing remote sensing data from the NASA's Earth Observing System. In addition to providing just data, the GES DISC/DAAC has developed various value-adding processing services. A particularly useful service is data processing a t the DISC (i.e., close to the input data) with the users' algorithms. This can take a number of different forms: as a configuration-managed algorithm within the main processing stream; as a stand-alone program next to the on-line data storage; as build-it-yourself code within the Near-Archive Data Mining (NADM) system; or as an on-the-fly analysis with simple algorithms embedded into the web-based tools (to avoid downloading unnecessary all the data). The existing data management infrastructure at the GES DISC supports a wide spectrum of options: from data subsetting data spatially and/or by parameter to sophisticated on-line analysis tools, producing economies of scale and rapid time-to-deploy. Shifting processing and data management burden from users to the GES DISC, allows scientists to concentrate on science, while the GES DISC handles the data management and data processing at a lower cost. Several examples of successful partnerships with scientists in the area of data processing and mining are presented.

Leptoukh, Gregory G.↗

Critical Assessment of Electronic Structure Descriptors for Predicting Perovskite Catalytic Properties

The discovery and design of materials which can efficiently catalyze the oxygen reduction and evolution reactions at reduced temperatures is important for facilitating the widespread adoption of fuel cell and electrolyzer technologies. Numerous studies have produced correlations between catalytic properties, such as oxygen surface exchange or electrode area specific resistance (ASR), and properties of the catalyst material. However, correlations have historically been limited in scope (e.g., using only a few materials or at a single temperature) and it has been difficult to provide detailed assessments of their robustness. Here, in this study, we assess the ability of the O p-band center electronic structure descriptor, obtained from density functional theory (DFT) calculations, to correlate with oxygen surface exchange rates, diffusivities, and area specific resistances for a large database of perovskite oxide catalytic properties. By data mining the literature, we obtain 747 catalytic property value data points spanning 299 unique perovskite compositions from 313 studies. We assess linear correlations of each property with the O p-band center and find generally modest correlations that are qualitatively useful (prediction mean absolute errors of about 0.5 log units are typical), where the correlations are improved at higher temperatures (e.g., 800 °C vs. 500 °C) and significantly improve when considering fits to the subset of materials which have multiple independent measurements. These findings suggest that the spread of property data is significantly influenced by experimental uncertainty, and subsequent measurements of additional materials will likely improve the O p-band center correlations.

30 DIRECT ENERGY CONVERSION↗

A Step Beyond Simple Keyword Searches: Services Enabled by a Full Content Digital Journal Archive

The problems of managing and searching large archives of scientific journal articles can potentially be addressed through data mining and statistical techniques matured primarily for quantitative scientific data analysis. A journal paper could be represented by a multivariate descriptor, e.g., the occurrence counts of a number key technical terms or phrases (keywords), perhaps derived from a controlled vocabulary ( e . g . , the American Meteorological Society's Glossary of Meteorology) or bootstrapped from the journal archive itself. With this technique, conventional statistical classification tools can be leveraged to address challenges faced by both scientists and professional societies in knowledge management. For example, cluster analyses can be used to find bundles of "most-related" papers, and address the issue of journal bifurcation (when is a new journal necessary, and what topics should it encompass). Similarly, neural networks can be trained to predict the optimal journal (within a society's collection) in which a newly submitted paper should be published. Comparable techniques could enable very powerful end-user tools for journal searches, all premised on the view of a paper as a data point in a multidimensional descriptor space, e.g.: "find papers most similar to the one I am reading", "build a personalized subscription service, based on the content of the papers I am interested in, rather than preselected keywords", "find suitable reviewers, based on the content of their own published works", etc. Such services may represent the next "quantum leap" beyond the rudimentary search interfaces currently provided to end-users, as well as a compelling value-added component needed to bridge the print-to-digital-medium gap, and help stabilize professional societies' revenue stream during the print-to-digital transition.

Boccippio, Dennis J.↗

Atmospheric Composition Data and Information Services Center (ACDISC)

NASA's GSFC Earth Sciences (GES) Data and Information and Data Services Center (DISC) manages the archive, distribution and data access for atmospheric composition data from AURA'S OMI, MLS, and hopefully one day, HIRDLS instruments, as well as heritage datasets from TOMS, UARS, MODIS, and AIRS. This data is currently archived in the GES Distributed Active Archive Center (DAAC). The GES DISC has begun the development of a community driven data management system that's sole purpose is to manage and provide value added services to NASA's Atmospheric Composition (AC) Data. This system, called the Atmospheric Composition Data and Information Services Center (ACDISC) will provide access all AC datasets from the above mentioned instruments, as well as AC datasets residing at remote archive sites (e.g, LaRC DAAC) The goals of the ACDISC are to: 1) Provide a data center for Atmospheric Scientists, guided by Atmospheric Scientists; 2) Be absolutely responsive to the data and data service needs of the Atmospheric Composition (AC) community; 3) Provide services (i.e., expertise) that will facilitate the effortless access to and usage of AC data; 4) Collaborate with AC scientists to facilitate the use of data from multiple sensors for long term atmospheric research. The ACDISC is an AC specific, user driven, multi-sensor, on-line, easy access archive and distribution system employing data analysis and visualization, data mining, and other user requested techniques that facilitate science data usage. The purpose of this presentation is to provide the evolution path that the GES DISC in order to better serve AC data, and also to receive continued community feedback and further foster collaboration with AC data users and providers.

Kempler, S.↗

An Anisotropic Local Method for Boundary Detection

Plan to submit this to the Journal of Statistical Analysis and Data Mining for their special issue on CoDA (Conference on Data Analysis, a meeting of analysts and scientists from the national labs)

97 MATHEMATICS AND COMPUTING↗

EMT-related long non-coding RNA in hepatocellular carcinoma: A study with TCGA database

Highlights: • Integrated analysis identifies EMT-associated lncRNA in HCC. • Candidate lncRNA-associated genes are enriched in EMT-linked pathways. • LncRNA WDFY3-AS3, MIAT, and MEG3 contribute to the EMT phenotype of HCC cells. Accumulating evidence suggest that dysregulated expression of long non-coding RNA (lncRNA) plays a critical role in human tumorigenesis. However, little is known about the lncRNA implicated in the epithelial-to-mesenchymal transition (EMT) process. In this study, we performed data mining in The Cancer Genome Atlas (TCGA) hepatocellular carcinoma (HCC) data set and identified the a spectrum of differentially expressed lncRNAs implicated the EMT process of HCC, and functionally validated their roles in LM3 cells. Especially, lncRNA WDFY3-AS2-, LINC00472-, MIAT-, and MEG3-associated genes were significantly enriched in EMT-linked pathways. Loss-of-function study showed that genetic silencing of WDFY3-AS3, MIAT, and MEG3, but not LINC00472, resulted in reduced N-cadherin expression, cell migration, and cell invasion. Collectively, our results identify several lncRNAs that regulate the EMT process of HCC, which provides critical information for HCC tumorigenesis and potential therapeutic targets.

60 APPLIED LIFE SCIENCES↗

Leveraging large language models to address data scarcity in machine learning for graphene synthesis

Machine learning in experimental materials science faces significant challenges due to the scarcity of data, which are costly and time-consuming to generate, particularly when relying on in-house experiments. Literature data mining offers a potential solution but introduces issues like mixed data quality, inconsistent formats, and non-uniform reporting of synthesis parameters, resulting in partially missing and heterogeneous features across the dataset. Here, we propose data imputation and feature engineering methods that employ pre-trained large language models (LLMs) to enhance machine learning performance on scarce, heterogeneous datasets, demonstrated on graphene CVD synthesis data and the ML-HydPARK hydrogen storage dataset. GPT models perform data imputation via tailored prompting and semantic normalization of inconsistently reported features through embeddings, for example, to harmonize the complex nomenclature of CVD substrates. Beyond yielding more diverse and richer feature representations than traditional methods such as K-nearest neighbors (KNN) and Multivariate Imputation by Chained Equations (MICE), LLM-based data imputation is evaluated against dataset characteristics and prompting strategies. We vary the level of autonomy granted to the LLM, from generic prompting that leverages pre-trained knowledge for autonomous data generation to data-informed prompting that constrains outputs using target-specific information, and demonstrate which level of autonomy yields superior imputation performance across datasets and feature types. The proposed data engineering methods markedly improve downstream performance; for example, in graphene layer number classification using a support vector machine (SVM), binary accuracy increases from 39% to 65% and ternary accuracy from 52% to 72%. Fine-tuning experiments on both datasets show that combining our proposed LLM-based data imputation and feature encoding methods with numerical machine learning predictors outperforms standalone fine-tuned LLM predictors in data-scarce settings. The proposed strategies emphasize data enhancement techniques rather than refining learning architectures or regularizing loss functions, offering a broadly applicable framework for improving machine learning performance on scarce, inhomogeneous datasets.

Chemical vapor deposition↗

Clinical knowledge extraction via sparse embedding regression (KESER) with multi-center large scale electronic health record data

The increasing availability of electronic health record (EHR) systems has created enormous potential for translational research. However, it is difficult to know all the relevant codes related to a phenotype due to the large number of codes available. Traditional data mining approaches often require the use of patient-level data, which hinders the ability to share data across institutions. In this project, we demonstrate that multi-center large-scale code embeddings can be used to efficiently identify relevant features related to a disease of interest. We constructed large-scale code embeddings for a wide range of codified concepts from EHRs from two large medical centers. We developed knowledge extraction via sparse embedding regression (KESER) for feature selection and integrative network analysis. We evaluated the quality of the code embeddings and assessed the performance of KESER in feature selection for eight diseases. Besides, we developed an integrated clinical knowledge map combining embedding data from both institutions. The features selected by KESER were comprehensive compared to lists of codified data generated by domain experts. Features identified via KESER resulted in comparable performance to those built upon features selected manually or with patient-level data. The knowledge map created using an integrative analysis identified disease-disease and disease-drug pairs more accurately compared to those identified using single institution data. Analysis of code embeddings via KESER can effectively reveal clinical knowledge and infer relatedness among codified concepts. KESER bypasses the need for patient-level data in individual analyses providing a significant advance in enabling multi-center studies using EHR data.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Defining a Metric Space of Host Logs and Operational Use Cases

Host logs, in particular, Windows Event Logs, are a valuable source of information often collected by security operation centers (SOCs). The semi-structured nature of host logs inhibits automated analytics, and while manual analysis is common, the sheer volume makes manual inspection of all logs impossible. Although many powerful algorithms for analyzing time-series and sequential data exist, utilization of such algorithms for most cyber security applications is either infeasible or requires tailored, research-intensive preparations. In particular, basic mathematic and algorithmic developments for providing a generalized, meaningful similarity metric on system logs is needed to bridge the gap between many existing sequential data mining methods and this currently available but under-utilized data source. In this paper, we provide a rigorous definition of a metric product space on Windows Event Logs, providing an embedding that allows for the application of established machine learning and time-series analysis methods. We then demonstrate the utility and flexibility of this embedding with multiple use-cases on real data: (1) comparing known infected to new host log streams for attack detection and forensics, (2) collapsing similar streams of logs into semantically-meaningful groups (by user, by role), thereby reducing the quantity of data but not the content, (3) clustering logs as well as short sequences of logs to identify and visualize user behaviors and background processes over time. Overall, we provide a metric space framework for general host logs and log sequences that respects semantic similarity and facilitates a wide variety of data science analytics to these logs without data-specific preparations for each.

Verma, Miki↗

Mr. Scan: extreme scale density-based clustering using a tree-based network of GPGPU nodes, In: SC '13 Proceedings of the International Conference on High Performance Computing, Networking, Storage and Analysis

Density-based clustering algorithms are a widely-used class of data mining techniques that can find irregularly shaped clusters and cluster data without prior knowledge of the number of clusters it contains. DBSCAN is the most well-known density-based clustering algorithm. We introduce our version of DBSCAN, called Mr. Scan, which uses a hybrid parallel implementation that combines the MRNet tree-based distribution network with GPGPU-equipped nodes. Mr. Scan avoids the problems of existing implementations by effectively partitioning the point space and by optimizing DBSCAN's computation over dense data regions. We tested Mr. Scan on both a geolocated Twitter dataset and image data obtained from the Sloan Digital Sky Survey. At its largest scale, Mr. Scan clustered 6.5 billion points from the Twitter dataset on 8,192 GPU nodes on Cray Titan in 17.3 minutes. All other parallel DBSCAN implementations have only demonstrated the ability to cluster up to 100 million points.

Computer Science↗

Pansophy enhancements for SRF through collecting and analyzing inputs/outputs to further project efficiency in reporting and performance

SRF cavity and Cryomodule testing and production requires a consistent means of collecting and analyzing data against quality and production parameters. JLab's engineering data management system, Pansophy, is utilized to assist project leaders and subject matter experts (SMEs) with such tasks, by providing a means to data mine key parameter indicators (KPI) and production planning and status data. Recent enhancements to reporting and trending have been utilized for the LCLS-II and CEBAF 12GeV upgrade projects. Further enhancements are being planned for future projects, like SNS-PPU, such as KPI trending, KPI quality, vendor quality, production timelines and user defined queries. Being able to understand past trends will assist with enhancements to future projects.

Bookwalter, Valerie D.↗

Automated Wildfire Detection Through Artificial Neural Networks

We have tested and deployed Artificial Neural Network (ANN) data mining techniques to analyze remotely sensed multi-channel imaging data from MODIS, GOES, and AVHRR. The goal is to train the ANN to learn the signatures of wildfires in remotely sensed data in order to automate the detection process. We train the ANN using the set of human-detected wildfires in the U.S., which are provided by the Hazard Mapping System (HMS) wildfire detection group at NOAA/NESDIS. The ANN is trained to mimic the behavior of fire detection algorithms and the subjective decision- making by N O M HMS Fire Analysts. We use a local extremum search in order to isolate fire pixels, and then we extract a 7x7 pixel array around that location in 3 spectral channels. The corresponding 147 pixel values are used to populate a 147-dimensional input vector that is fed into the ANN. The ANN accuracy is tested and overfitting is avoided by using a subset of the training data that is set aside as a test data set. We have achieved an automated fire detection accuracy of 80-92%, depending on a variety of ANN parameters and for different instrument channels among the 3 satellites. We believe that this system can be deployed worldwide or for any region to detect wildfires automatically in satellite imagery of those regions. These detections can ultimately be used to provide thermal inputs to climate models.

Miller, Jerry↗

Goddard Atmospheric Composition Data Center: Aura Data and Services in One Place

The Goddard Atmospheric Composition Data and Information Services Center (AC-DISC) is a portal to the Atmospheric Composition specific, user driven, multi-sensor, on-line, easy access archive and distribution system employing data analysis and visualization, data mining, and other user requested techniques for the better science data usage. It provides convenient access to Atmospheric Composition data and information from various remote-sensing missions, from TOMS, UARS, MODIS, and AIRS, to the most recent data from Aura OMI, MLS, HIRDLS (once these datasets are released to the public), as well as Atmospheric Composition datasets residing at other remote archive site.

Leptoukh, G.↗