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NASA Tech Briefs, March 2013

Topics covered include: Remote Data Access with IDL Data Compression Algorithm Architecture for Large Depth-of-Field Particle Image Velocimeters Vectorized Rebinning Algorithm for Fast Data Down-Sampling Display Provides Pilots with Real-Time Sonic-Boom Information Onboard Algorithms for Data Prioritization and Summarization of Aerial Imagery Monitoring and Acquisition Real-time System (MARS) Analog Signal Correlating Using an Analog-Based Signal Conditioning Front End Micro-Textured Black Silicon Wick for Silicon Heat Pipe Array Robust Multivariable Optimization and Performance Simulation for ASIC Design; Castable Amorphous Metal Mirrors and Mirror Assemblies; Sandwich Core Heat-Pipe Radiator for Power and Propulsion Systems; Apparatus for Pumping a Fluid; Cobra Fiber-Optic Positioner Upgrade; Improved Wide Operating Temperature Range of Li-Ion Cells; Non-Toxic, Non-Flammable, -80 C Phase Change Materials; Soft-Bake Purification of SWCNTs Produced by Pulsed Laser Vaporization; Improved Cell Culture Method for Growing Contracting Skeletal Muscle Models; Hand-Based Biometric Analysis; The Next Generation of Cold Immersion Dry Suit Design Evolution for Hypothermia Prevention; Integrated Lunar Information Architecture for Decision Support Version 3.0 (ILIADS 3.0); Relay Forward-Link File Management Services (MaROS Phase 2); Two Mechanisms to Avoid Control Conflicts Resulting from Uncoordinated Intent; XTCE GOVSAT Tool Suite 1.0; Determining Temperature Differential to Prevent Hardware Cross-Contamination in a Vacuum Chamber; SequenceL: Automated Parallel Algorithms Derived from CSP-NT Computational Laws; Remote Data Exploration with the Interactive Data Language (IDL); Mixture-Tuned, Clutter Matched Filter for Remote Detection of Subpixel Spectral Signals; Partitioned-Interval Quantum Optical Communications Receiver; and Practical UAV Optical Sensor Bench with Minimal Adjustability.

Source record↗

Analysis of methods

Information is one of an organization's most important assets. For this reason the development and maintenance of an integrated information system environment is one of the most important functions within a large organization. The Integrated Information Systems Evolution Environment (IISEE) project has as one of its primary goals a computerized solution to the difficulties involved in the development of integrated information systems. To develop such an environment a thorough understanding of the enterprise's information needs and requirements is of paramount importance. This document is the current release of the research performed by the Integrated Development Support Environment (IDSE) Research Team in support of the IISEE project. Research indicates that an integral part of any information system environment would be multiple modeling methods to support the management of the organization's information. Automated tool support for these methods is necessary to facilitate their use in an integrated environment. An integrated environment makes it necessary to maintain an integrated database which contains the different kinds of models developed under the various methodologies. In addition, to speed the process of development of models, a procedure or technique is needed to allow automatic translation from one methodology's representation to another while maintaining the integrity of both. The purpose for the analysis of the modeling methods included in this document is to examine these methods with the goal being to include them in an integrated development support environment. To accomplish this and to develop a method for allowing intra-methodology and inter-methodology model element reuse, a thorough understanding of multiple modeling methodologies is necessary. Currently the IDSE Research Team is investigating the family of Integrated Computer Aided Manufacturing (ICAM) DEFinition (IDEF) languages IDEF(0), IDEF(1), and IDEF(1x), as well as ENALIM, Entity Relationship, Data Flow Diagrams, and Structure Charts, for inclusion in an integrated development support environment.

Mayer, Richard J.↗

SHARP Assembly-Scale Multiphysics Demonstration Simulations

The NEAMS Reactor Product Line effort aims to develop an integrated multiphysics simulation capability for the design and analysis of future generations of nuclear power plants. The Reactor Product Line code suite’s multi-resolution hierarchy is being designed to ultimately span the full range of length and time scales present in relevant reactor design and safety analyses, as well as scale from desktop to petaflop computing platforms. In this report, we describe our efforts to integrate thermal/hydraulics, neutronics, and structural mechanics modeling codes to perform coupled analysis of a representative fast sodium-cooled reactor fuel assembly. Over the past five years, the Reactor Product Line effort has developed high-fidelity single-physics codes for neutron transport modeling, in the PROTEUS code, and Large Eddy Simulation-based thermal/fluid modeling in the Nek5000 code. Both these codes have been exercised on over 100,000 processors of the IBM Blue Gene/P. The Diablo code has been used to perform structural mechanics and thermo-mechanical modeling. MOAB, the Reactor Geometry Generator (RGG), and MeshKit have been developed to generate and manipulate mesh and mesh-based data, in both serial and parallel environments. These tools together form a strong basis on which to build a multi-physics modeling capability. The goal of developing such a tool is to perform multi-physics neutronics, thermal/fluid, and structural mechanics modeling of the components inside a reactor core. While the focus of this report is on modeling a fast sodium-cooled reactor, it is also the goal that this simulation tool be useful for most reactor types. Here we report on the integration of PROTEUS and Nek5000 into the NEAMS framework. Both codes have been modified to read and write data from and to the MOAB library, in both serial and parallel environments. We focused on broad support for as many original physics code options as possible, rather than focusing only on near-term needs. Both codes were demonstrated through this interface on a relatively simple, seven-pin hexagonal fuel assembly. To support coupled analysis, the new multi-physics driver library COUPE was developed; this library provides flexible support for both loose and tight coupling, and can interface flexibly with codes in multiple programming languages. To couple results between the separate meshes used in each physics, the driver, PROTEUS, and Nek5000 all interface with the MBCoupler solution transfer tool provided with MOAB. Together, these tools form the basis of a new, coupled neutronics and thermal/fluid modeling code, that works in both serial and parallel. In a related effort, a driver in the Diablo code was used to access Nek5000-computed results written to a MOAB database, as well as the temperature data used to drive structural mechanics computations.

Tautges, Timothy J.↗

Machine Learning Enabled Quantitative Risk Assessment of Aerial Wildfire Response

Aerial wildfire operations are high risk and account for a large number of firefighter deaths. Increasing intensity of wildfires is driving a surge in aerial operations, while simultaneously there is growing interest in improving system safety and performance. In this work, wildfire aviation mishaps documented using the SAFECOM system are analyzed using a previously developed framework for hazard extraction and analysis of trends (HEAT). Hazards and specific failure modes are extracted from the narrative data in SAFECOM forms using natural language processing techniques. Metrics for each hazard are calculated, including frequency, rate, and severity. We examine whether these metrics change over time, and whether they are related to metadata, such as region and aircraft type. The results of the hazard analysis are presented in a risk matrix, identifying the highest and lowest risk hazards based on rate of occurrence and average severity. Results identify jumper operations hazards as high-risk, in addition to bucket drop failures, cargo let down failures, and severe weather as medium risk.

machine learning↗

Machine Learning Enabled Quantitative Risk Assessment of Aerial Wildfire Response

Aerial wildfire operations are high risk and account for a large number of firefighter deaths. Increasing intensity of wildfires is driving a surge in aerial operations, while simultaneously there is growing interest in improving system safety and performance. In this work, wildfire aviation mishaps documented using the SAFECOM system are analyzed using a previously developed framework for hazard extraction and analysis of trends (HEAT). Hazards and specific failure modes are extracted from the narrative data in SAFECOM forms using natural language processing techniques. Metrics for each hazard are calculated, including frequency, rate, and severity. We examine whether these metrics change over time, and whether they are related to metadata, such as region and aircraft type. The results of the hazard analysis are presented in a risk matrix, identifying the highest and lowest risk hazards based on rate of occurrence and average severity. Results identify jumper operations hazards as high-risk, in addition to bucket drop failures, cargo let down failures, and severe weather as medium risk.

machine learning↗

Understanding EV Charging Pain Points Through Deep Learning Analysis

Current and potential electric vehicle (EV) owners express concerns about the charging infrastructure, mentioning non-functional chargers, prolonged charging times, inconvenient charger locations, long wait times, and high costs as major barriers. Addressing these issues often requires analyzing actual vehicle charging data, which is typically proprietary and inconsistent due to diverse standards and protocols. To understand and improve the EV charging experience, customer reviews are typically used to identify common customer pain points (CPPs). However, there is not a comprehensive method to map customer reviews to a standardized set of CPPs. In collaboration with the National Charging Experience (ChargeX) Consortium, this study bridges these gaps by proposing a Systematic Categorization and Analysis of Large-scale EV-charging Reviews (SCALER) framework. SCALER is an integrated, deep learning framework that segments, actively labels, analyzes, and classifies EV charging customer reviews into six CPP categories. To test its effectiveness, we used SCALER to analyze over 72,000 reviews from customers charging various EV models on different networks across the United States. SCALER achieves a classification accuracy of 92.5%, with an F1 score exceeding 85.7%. By demonstrating real-world applications of SCALER, we enhance the industry’s ability to understand and address CPPs to improve the EV charging experience.

29 - ENERGY PLANNING, POLICY AND ECONOMY↗

Fortran for the nineties

Fortran has largely enjoyed prominence for the past few decades as the computer programming language of choice for numerically intensive scientific, engineering, and process control applications. Fortran's well understood static language syntax has allowed resulting parsers and compiler optimizing technologies to often generate among the most efficient and fastest run-time executables, particularly on high-end scalar and vector supercomputers. Computing architectures and paradigms have changed considerably since the last ANSI/ISO Fortran release in 1978, and while FORTRAN 77 has more than survived, it's aged features provide only partial functionality for today's demanding computing environments. The simple block procedural languages have been necessarily evolving, or giving way, to specialized supercomputing, network resource, and object-oriented paradigms. To address these new computing demands, ANSI has worked for the last 12-years with three international public reviews to deliver Fortran 90. Fortran 90 has superseded and replaced ISO FORTRAN 77 internationally as the sole Fortran standard; while in the US, Fortran 90 is expected to be adopted as the ANSI standard this summer, coexisting with ANSI FORTRAN 77 until at least 1996. The development path and current state of Fortran will be briefly described highlighting the many new Fortran 90 syntactic and semantic additions which support (among others): free form source; array syntax; new control structures; modules and interfaces; pointers; derived data types; dynamic memory; enhanced I/O; operator overloading; data abstraction; user optional arguments; new intrinsics for array, bit manipulation, and system inquiry; and enhanced portability through better generic control of underlying system arithmetic models. Examples from dynamical astronomy, signal and image processing will attempt to illustrate Fortran 90's applicability to today's general scalar, vector, and parallel scientific and engineering requirements and object oriented programming paradigms. Time permitting, current work proceeding on the future development of Fortran 2000 and collateral standards will be introduced.

Himer, J. T.↗

Digital Analytics, Causal Knowledge Acquisition and Reasoning for Technical Language Processing

Complex engineering systems such as nuclear power plants (NPPs) generate and collect large amounts of equipment reliability (ER) data elements that contain information on the status of components, assets, and systems. Some of this information is textual in form and can be found in documents such as incident reports (IRs) and work orders (WOs). Analyses of textual data in current NPPs-using natural language processing (NLP) methods-have been expanded over the last decade, and it is only recently that the true potential of such analyses has emerged. So far, applications of NLP methods have mostly been limited to classification and prediction, the goal being to identify the nature of the textual element (e.g., safety or non-safety related). Here, we target a more complex problem: automatically extracting knowledge from a textual element in order to assist system engineers in conducting system health assessments. Knowledge extraction is a very broad concept, and its definition may vary depending on the application context. Our methods are a blend of both rule-based and machine learning (ML) algorithms. For our purposes, knowledge extraction means identifying the systems or assets mentioned in a given textual element, as well as the type of event described (e.g., component failure or maintenance activity). In addition, we want to capture details such as measured quantities and the temporal/cause-effect relations between events. In this tool, we also demonstrate how textual data elements are preprocessed in order to handle typos, acronyms, and abbreviations. One main feature of these methods is that they are not based solely on data, but are in fact model-based. In other words, they also rely on MBSE models that are designed to capture-from a functional point of view-the architecture of the systems/assets under consideration. The main purpose of such models is to digitally emulate system engineers' knowledge of system and asset architecture and to identify dependencies among systems, assets, and components. Provided these models, analyses of textual and numeric ER data can be performed by first identifying the OPM model elements to which the ER data elements are referring. The relationships between ER data elements are then identified by checking for any temporal or logical dependencies.

Mandelli, Diego [Idaho National Laboratory (INL), ↗

An asynchronous traversal engine for graph-based rich metadata management

Rich metadata in high-performance computing (HPC) systems contains extended information about users, jobs, data files, and their relationships. Property graphs are a promising data model to represent heterogeneous rich metadata flexibly. Specifically, a property graph can use vertices to represent different entities and edges to record the relationships between vertices with unique annotations. The high-volume HPC use case, with millions of entities and relationships, naturally requires an out-of-core distributed property graph database, which must support live updates (to ingest production information in real time), low-latency point queries (for frequent metadata operations such as permission checking), and large-scale traversals (for provenance data mining). Among these needs, large-scale property graph traversals are particularly challenging for distributed graph storage systems. Most existing graph systems implement a "level synchronous" breadth-first search algorithm that relies on global synchronization in each traversal step. This performs well in many problem domains; but a rich metadata management system is characterized by imbalanced graphs, long traversal lengths, and concurrent workloads, each of which has the potential to introduce or exacerbate stragglers (i.e., abnormally slow steps or servers in a graph traversal) that lead to low overall throughput for synchronous traversal algorithms. Previous research indicated that the straggler problem can be mitigated by using asynchronous traversal algorithms, and many graph-processing frameworks have successfully demonstrated this approach. Such systems require the graph to be loaded into a separate batch-processing framework instead of being iteratively accessed, however. In this work, we investigate a general asynchronous graph traversal engine that can operate atop a rich metadata graph in its native format. We outline a traversal-aware query language and key optimizations (traversal-affiliate caching and execution merging) necessary for efficient performance. We further explore the effect of different graph partitioning strategies on the traversal performance for both synchronous and asynchronous traversal engines. Our experiments show that the asynchronous graph traversal engine is more efficient than its synchronous counterpart in the case of HPC rich metadata processing, where more servers are involved and larger traversals are needed. Furthermore, the asynchronous traversal engine is more adaptive to different graph partitioning strategies.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Formal Safety Certification of Aerospace Software

In principle, formal methods offer many advantages for aerospace software development: they can help to achieve ultra-high reliability, and they can be used to provide evidence of the reliability claims which can then be subjected to external scrutiny. However, despite years of research and many advances in the underlying formalisms of specification, semantics, and logic, formal methods are not much used in practice. In our opinion this is related to three major shortcomings. First, the application of formal methods is still expensive because they are labor- and knowledge-intensive. Second, they are difficult to scale up to complex systems because they are based on deep mathematical insights about the behavior of the systems (t.e., they rely on the "heroic proof"). Third, the proofs can be difficult to interpret, and typically stand in isolation from the original code. In this paper, we describe a tool for formally demonstrating safety-relevant aspects of aerospace software, which largely circumvents these problems. We focus on safely properties because it has been observed that safety violations such as out-of-bounds memory accesses or use of uninitialized variables constitute the majority of the errors found in the aerospace domain. In our approach, safety means that the program will not violate a set of rules that can range for the simple memory access rules to high-level flight rules. These different safety properties are formalized as different safety policies in Hoare logic, which are then used by a verification condition generator along with the code and logical annotations in order to derive formal safety conditions; these are then proven using an automated theorem prover. Our certification system is currently integrated into a model-based code generation toolset that generates the annotations together with the code. However, this automated formal certification technology is not exclusively constrained to our code generator and could, in principle, also be integrated with other code generators such as RealTime Workshop or even applied to legacy code. Our approach circumvents the historical problems with formal methods by increasing the degree of automation on all levels. The restriction to safety policies (as opposed to arbitrary functional behavior) results in simpler proof problems that can generally be solved by fully automatic theorem proves. An automated linking mechanism between the safety conditions and the code provides some of the traceability mandated by process standards such as DO-178B. An automated explanation mechanism uses semantic markup added by the verification condition generator to produce natural-language explanations of the safety conditions and thus supports their interpretation in relation to the code. It shows an automatically generated certification browser that lets users inspect the (generated) code along with the safety conditions (including textual explanations), and uses hyperlinks to automate tracing between the two levels. Here, the explanations reflect the logical structure of the safety obligation but the mechanism can in principle be customized using different sets of domain concepts. The interface also provides some limited control over the certification process itself. Our long-term goal is a seamless integration of certification, code generation, and manual coding that results in a "certified pipeline" in which specifications are automatically transformed into executable code, together with the supporting artifacts necessary for achieving and demonstrating the high level of assurance needed in the aerospace domain.

Denney, Ewen↗

ExEP Yield Modeling Tool and Validation Test Results

EXOSIMS is an open-source simulation tool for parametric modeling of the detection yield and characterization of exoplanets. EXOSIMS has been adopted by the Exoplanet Exploration Programs Standards De nition and Evaluation Team (ExSDET) as a common mechanism for comparison of exoplanet mission concept studies. To ensure trustworthiness of the tool, we developed a validation test plan that leverages the Python-language unit-test framework, utilizes integration tests for selected module interactions, and performs end-to-end cross- validation with other yield tools. This paper presents the test methods and results, with the physics-based tests such as photometry and integration time calculation treated in detail and the functional tests treated summarily. The test case utilized a 4m unobscured telescope with an idealized coronagraph and an exoplanet population from the IPAC radial velocity (RV) exoplanet catalog. The known RV planets were set at quadrature to allow deterministic validation of the calculation of physical parameters, such as working angle, photon counts and integration time. The observing keepout region was tested by generating plots and movies of the targets and the keepout zone over a year. Although the keepout integration test required the interpretation of a user, the test revealed problems in the L2 halo orbit and the parameterization of keepout applied to some solar system bodies, which the development team was able to address. The validation testing of EXOSIMS was performed iteratively with the developers of EXOSIMS and resulted in a more robust, stable, and trustworthy tool that the exoplanet community can use to simulate exoplanet direct-detection missions from probe class, to WFIRST, up to large mission concepts such as HabEx and LUVOIR.

Nunez, Paul↗

Open Building Control

Best practice control sequences are often not implemented correctly, or are not implemented at all, in large commercial buildings. This typically leads to 10-30 percent energy waste, along with reduced occupant productivity and unnecessary equipment wear. The current process of designing and implementing such control sequences is a manual process that starts with designers who often don’t have adequate training, then requires controls programmers to interpret and program a verbose written sequence. This process has been shown to fail to deliver high performance control sequences at scale. The Open Building Control project digitizes the current control delivery process. The project is developing tools for system designers to select control sequences, assess their energy performance and load flexibility potential using whole building simulation, specify the sequence for implementation using machine-to-machine translation by a control provider and formally testing the as-installed sequences by a commissioning agent. The project developed tools for each stage of this delivery process. The key innovation of the project is the development of the Control Description Language, a language that allows such a digitized control delivery process with end-to-end verification. Libraries of control sequences have been implemented using the Control Description Language, and their performance has been demonstrated using whole building energy simulation. An automated translation of such sequences to a commercial control product line has been conducted using a prototype translator. Tools for formal verification of as-installed control sequences relative to their specification have been developed and demonstrated. The American Society of Heating, Refrigerating and Air-Conditioning Engineers (ASHRAE) started the process of forming a committee to make this language an ASHRAE/ANSI Standard. This new standard will complement existing and emerging ASHRAE standards for building communication and semantic modeling by providing a standard for expressing the control logic - the actual brain of the building. We expect this language and the process it enables to be an important contribution to the deployment of high performance building control sequences at scale because it allows taming the complexity of the control delivery process, which is continually increasing due to the need for higher performance and increased load flexibility to meet goals for net zero energy and increased renewable integration.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

On the Language of Reliability: A System Engineer Perspective

In its classical definition, risk is defined by three elements: what can go wrong, what are its consequences, and how likely is it to occur? While this definition makes sense in a regulatory-based framework where for the current fleet of operating light water reactors (LWRs), the risks associated with nuclear power plants typically are characterized in terms of core damage and large early release frequency (LERF), this approach does not provide a useful snapshot of the health of the plant from a broader perspective. This is due to the very narrow context in which the term “risk” typically is defined as nuclear safety aspects that have the potential to impact public health. In this paper, we take the viewpoint of nuclear safety that is reflective of the current fleet of operating LWRs for which core damage frequency and LERF are appropriate metrics. For other advanced reactor designs, other more applicable technology neutral metrics of reactor safety metrics would be specified. A possible alternate path would start by redefining the word risk with a broader meaning that better reflects the needs of a system health and asset management decision-making process. Rather than asking how likely an event could occur (in probabilistic terms), we can ask how far this event is from occurring. Our approach starts by defining and quantifying component and system health in terms of a “distance” between its actual and limiting conditions, i.e., determination of the margin that exists between the current state/condition and the state where the component/system is no longer capable of achieving its intended function. A margin is a measure that is more reflective of the current state or performance of a component, and therefore more closely tied to decisions that are made on an ongoing basis. Further, we will show how, given the data available from plant equipment reliability and monitoring (e.g., pump vibration data) and prognostic (e.g., component remaining useful life estimation) data, a margin can be described and determined for all types of maintenance approaches (e.g., corrective or predictive maintenance). We show how classical reliability models (e.g., fault trees) can be used to quantify the system margin provided component margin values. In the approach described in this paper, the propagation of margin values through classical reliability models are not performed using classical probabilistic calculations applied to sets (as performed in a typical plant probabilistic risk assessment). Instead, we show how it is possible to propagate margin values through Boolean logic gates (i.e., AND and OR operators) through distance-based operations.

97 MATHEMATICS AND COMPUTING↗

Autonomous Command Operations of the WIRE Spacecraft

This paper presents operational innovations which will be introduced on NASA's Wide Field Infrared Explorer (WIRE) mission. These innovations include an end-to-end design architecture for an autonomous commanding capability for the uplink of command loads during unattended station contacts. The WIRE mission is the fifth and final mission of NASA's Goddard Space Flight Center Small Explorer (SMEX) series to be launched in March of 1999. Its primary mission is the targeting of deep space fields using an ultra-cooled infrared telescope. Due to its mission design WIRE command loads are large (approximately 40 Kbytes per 24 hours) and must be performed daily. To reduce the cost of mission operations support that would be required in order to uplink command loads, the WIRE Flight Operations Team has implemented all autonomous command loading capability. This capability allows completely unattended operations over a typical two-day weekend period. The key factors driving design and implementation of this capability were: 1) integration with already existing ground system autonomous capabilities and systems, 2) the desire to evolve autonomous operations capabilities based upon previous SMEX operations experience - specifically the TRACE mission, 3) integration with ground station operations - both autonomous and man-tended, 4) low cost and quick implementation, and 5) end-to-end system robustness. A trade-off study was performed to examine these factors in light of the low-cost, higher-risk SMEX mission philosophy. The study concluded that a STOL (Spacecraft Test and Operations Language) based script, highly integrated with other scripts used to perform autonomous operations, was best suited given the budget and goals of the mission. Each of these factors is discussed in addition to use of the TRACE mission as a testbed for autonomous commanding prior to implementation on WIRE. The capabilities implemented on the WIRE mission are an example of a low-cost, robust, and efficient method for autonomous command loading when implemented with other autonomous features of the ground system. They call be used as a design and implementation template by other missions interested in evolving toward autonomous and lower cost operations. Additionally, the WIRE spacecraft will be used as an operational testbed upon completion of its nominal mission later in 1999. One idea being studied is advanced on-board modeling. Advanced on-board modeling techniques will be used to more efficiently display the spacecraft state. This health and safety information could be used by engineers on the ground or could be used by tile spacecraft for its own assessments. Additionally, this same state information could also be input into the event-driven scheduling system, as the scheduling system will need to assess the spacecraft state before undertaking a new activity. Advanced modeling techniques are being evaluated for a number of NASA missions including The Next Generation Space Telescope (NGST), which is scheduled to launch in 2007.

Walyus, Keith↗

Evaluating proxies for the drivers of natural gas productivity using machine-learning models

We report the extensive development of unconventional reservoirs using horizontal drilling and multistage hydraulic fracturing has generated large volumes of reservoir characterization and production data. The analysis of this abundant data using statistical methods and advanced machine-learning (ML) techniques can provide data-driven insights into well performance. Most predictive modeling studies have focused on the impact that different well completion and stimulation strategies have on well production but have not fully exploited the available in situ rock property data to determine its role in reservoir productivity. We have used machine-learning techniques to rank rock mechanical properties, microseismic attributes, and stimulation parameters in the order of their significance for predicting natural gas production from an unconventional reservoir. The data for this study came from a hydraulically fractured well in the Marcellus Shale in Monongalia County, West Virginia. The data classes included measurements aggregated by well completion stage that included (1) gas production, (2) well-log-derived measurements including bulk density, elastic moduli, shear impedance, compressional impedance, brittleness, and gamma measurements, (3) microseismic attributes, (4) long-period long-duration (LPLD) event counts, (5) fracture counts, and (6) stimulation parameters that included the fluid injection volume and average pumping pressure. To identify observable proxies for the drivers of gas production, we evaluated five commonly used ML approaches including multivariate adaptive regression spline, Gaussian mixture model, random forest, gradient boosting, and neural network. We selected five variables including LPLD event count, seismogenic b-value, hydraulic diffusivity, cumulative moment, and fluid volume as the features most likely to impact gas productivity at the stage level in the study area. The data-driven selection of these parameters for their importance in determining gas production can help reservoir engineers design more effective hydraulic-fracture treatments in the Marcellus Shale and other similar unconventional reservoirs. Plain language summary: We use machine-learning methods and data-driven selection of reservoir parameters to rank and better understand their importance in determining gas production, which can help reservoir engineers design more effective hydraulic-fracture treatments in the Marcellus Shale and other similar unconventional reservoirs.

58 GEOSCIENCES↗

Performance and Portability of a Linear Solver Across Emerging Architectures

A linear solver algorithm used by a large-scale unstructured-grid computational fluid dynamics application is examined for a broad range of familiar and emerging architectures. Efficient implementation of a linear solver is challenging on recent CPUs offering vector architectures. Vector loads and stores are essential to effectively utilize available memory bandwidth on CPUs, and maintaining performance across different CPUs can be difficult in the face of varying vector lengths offered by each. A similar challenge occurs on GPU architectures, where it is essential to have coalesced memory accesses to utilize memory bandwidth effectively. In this work, we demonstrate that restructuring a computation, and possibly data layout, with regard to architecture is essential to achieve optimal performance by establishing a performance benchmark for each target architecture in a low level language such as vector intrinsics or CUDA. In doing so, we demonstrate how a linear solver kernel can be mapped to Intel® Xeon™ and Xeon Phi™, Marvell® ThunderX2®, NEC® SX-Aurora™ TSUBASA Vector Engine, and NVIDIA® and AMD® GPUs. We further demonstrate that the required code restructuring can be achieved in higher level programming environments such as OpenACC, OCCA, and Intel® OneAPI™/SYCL, and that each generally results in optimal performance on the target architecture. Relative performance metrics for all implementations are shown, and subjective ratings for ease of implementation and optimization are suggested.

Programming models↗

AI Meets Exascale Computing: Advancing Cancer Research With Large-Scale High Performance Computing

The application of data science in cancer research has been boosted by major advances in three primary areas: (1) Data: diversity, amount, and availability of biomedical data; (2) Advances in Artificial Intelligence (AI) and Machine Learning (ML) algorithms that enable learning from complex, large-scale data; and (3) Advances in computer architectures allowing unprecedented acceleration of simulation and machine learning algorithms. These advances help build in silico ML models that can provide transformative insights from data including: molecular dynamics simulations, next-generation sequencing, omics, imaging, and unstructured clinical text documents. Unique challenges persist, however, in building ML models related to cancer, including: (1) access, sharing, labeling, and integration of multimodal and multi-institutional data across different cancer types; (2) developing AI models for cancer research capable of scaling on next generation high performance computers; and (3) assessing robustness and reliability in the AI models. In this paper, we review the National Cancer Institute (NCI) -Department of Energy (DOE) collaboration, Joint Design of Advanced Computing Solutions for Cancer (JDACS4C), a multi-institution collaborative effort focused on advancing computing and data technologies to accelerate cancer research on three levels: molecular, cellular, and population. This collaboration integrates various types of generated data, pre-exascale compute resources, and advances in ML models to increase understanding of basic cancer biology, identify promising new treatment options, predict outcomes, and eventually prescribe specialized treatments for patients with cancer.

60 APPLIED LIFE SCIENCES↗

AI Model Benchmarking for Nonproliferation Applications: Steel Thread Benchmarking Task Force Technical Report (Rev. 2)

Steel Thread is a NA-22 venture that seeks to build trustworthy, reliable AI models that can be used in a wide variety of nonproliferation tasks. A key aspect of building these models is developing appropriate benchmarks and evaluation methods, which will enable the venture to identify and adapt models to provide the most value in the nonproliferation domain. Benchmarks must be relevant to key tasks in this domain, such as question answering, information retrieval, document summarization and classification, consensus analysis, and image and data analysis. This report 1) provides an overview of benchmark design, evaluation, and challenges; 2) reviews a variety of open benchmarks, with a focus on language models and tasks; and 3) identifies benchmarks that are most relevant to Steel Thread. This report is intended to serve as a basis for further efforts to classify and evaluate benchmarks and their correlation with success on nonproliferation-specific tasks. The Steel Thread venture has defined benchmarks to be a particular combination of a dataset (or datasets) and a metric (or metrics) conceptualized as representing one or more specific tasks or sets of abilities for a specific modality. It is adopted by a research community as a shared framework for comparing methods.1 It includes 1) Data: Labeled (a designated subset not used for training, which could be all the data), 2) Metric: A way to quantify performance, 3) Task/Ability: What the benchmark is testing, 4) Protocol: A structured and repeatable evaluation process, 5) Baseline/Reference Model: For comparison; could be statistical, rule-based, SME-derived, or another model, and 6) Maintenance Plan: to update with new information over time; important for long-term utility. For further clarity, the definition includes what a benchmark, in this context, is not. It is not a corpus of training data, specific to a model (it is intended to apply to a range of models), a universal evaluation of performance, a guarantee that the ‘top’ model on the leaderboard will be the best fit for every specific use case, an all-encompassing proof of a model’s universal quality, nor is it a one-size-fits-all measure of success. It does not cover every real-world constraint (like operational, ethical, or cost considerations), a systems integration test, or a unit test. This definition was inspired by and resulted from discussions within the Steel Thread Benchmarking Task Force. This group was formed to define what we would mean as a benchmark within Steel Thread but persisted as the need to develop a thorough understanding of the large and expanding existing benchmarking space. This technical report is a result of the group’s divide and conquer approach to exploring this space. The release of benchmarks might not be progressing as quickly as model development, but it is moving very fast, as many benchmarks quickly become saturated, when state-of-the-art models score so close to the benchmark’s ceiling that their results are virtually indistinguishable. At that point, the test no longer differentiates between new systems, so researchers usually stop reporting scores as the benchmark no longer informs about improvements from the next generation of models. In the OpenAI announcement of GPT-5, they reported results on six flagship public benchmarks (AIME 2025, SWE-bench Verified, Aider Polyglot, MMMU, HealthBench Hard, GPQA) but the full system-card covers roughly thirty-five separate evaluations, comprising hundreds of test task items in total. There have been some efforts to summarize benchmarks in specific fields, like for text-to-image generation, but these surveys have had a narrow methodology scope. Therefore, a comprehensive survey of all benchmarks or even all benchmarks that could be relevant to Steel Thread is outside of the scope of this report. We chose some specific benchmarks to investigate in detail.

97 MATHEMATICS AND COMPUTING↗