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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2

Mastering HPC Runtime Prediction: From Observing Patterns to a Methodological Approach: Preprint

The continual expansion of high-performance computing (HPC) brings with it an increasing need for efficiency. Heavy investment in energy, hardware, and software infrastructure to support peta- and exascale computing requires the optimization of existing systems and, wherever possible, the discernment and adoption of best-practices towards these goals. Such is the case for runtime prediction. When a job is submitted to an HPC system, an estimate of its runtime is provided by the user in the form of "requested wallclock''. Error in this user-provided estimate can lead to jobs being prematurely killed by the scheduler, increased wait time on the queue, and decreased system utilization. More than fifteen years of research has been directed at mitigating these effects by using data-driven runtime predictions. Codified here is a set of commonalities and insights emerging from this body of work, which we present as recommendations and best practices. These practices are combined into a methodological approach described and evaluated on an 11-million-job dataset from the National Renewable Energy Laboratory's petascale HPC system, Eagle. This dataset and the accompanying codebase have been released to the public domain for the benefit of the wider HPC research community.

high performance computing↗

Cross-domain digital twin architecture for predictive maintenance via machine learning and Large Language Models

This research introduces a comprehensive framework for creating and deploying a digital twin platform for continuous monitoring and predictive maintenance within industrial settings. Through utilizing advanced technologies, including Unreal Engine 5, Unity 3D, the Message Queue Telemetry Transport protocol, Random Forest machine learning algorithms, and Large Language Models (LLMs), we establish a platform that digitally reproduces physical equipment and translates digital controls into real-world actions. This facilitates preventive maintenance approaches and improves operational effectiveness. The digital twin platform gathers sensor data from operational equipment, analyzes it using machine learning, and delivers practical insights to prevent potential malfunctions and enhance equipment performance. Furthermore, the incorporation of a web portal enables efficient monitoring and access to historical data, educational materials, and equipment status information. Preliminary findings indicate that digital twins can transform industrial equipment management and maintenance methodologies.

97 MATHEMATICS AND COMPUTING↗

Adaptive allocation of decisionmaking responsibility between human and computer in multitask situations

As human and computer come to have overlapping decisionmaking abilities, a dynamic or adaptive allocation of responsibilities may be the best mode of human-computer interaction. It is suggested that the computer serve as a backup decisionmaker, accepting responsibility when human workload becomes excessive and relinquishing responsibility when workload becomes acceptable. A queueing theory formulation of multitask decisionmaking is used and a threshold policy for turning the computer on/off is proposed. This policy minimizes event-waiting cost subject to human workload constraints. An experiment was conducted with a balanced design of several subject runs within a computer-aided multitask flight management situation with different task demand levels. It was found that computer aiding enhanced subsystem performance as well as subjective ratings. The queueing model appears to be an adequate representation of the multitask decisionmaking situation, and to be capable of predicting system performance in terms of average waiting time and server occupancy. Server occupancy was further found to correlate highly with the subjective effort ratings.

Chu, Y.-Y.↗

Conservative parallel simulation of priority class queueing networks

A conservative synchronization protocol is described for the parallel simulation of queueing networks having C job priority classes, where a job's class is fixed. This problem has long vexed designers of conservative synchronization protocols because of its seemingly poor ability to compute lookahead: the time of the next departure. For, a job in service having low priority can be preempted at any time by an arrival having higher priority and an arbitrarily small service time. The solution is to skew the event generation activity so that the events for higher priority jobs are generated farther ahead in simulated time than lower priority jobs. Thus, when a lower priority job enters service for the first time, all the higher priority jobs that may preempt it are already known and the job's departure time can be exactly predicted. Finally, the protocol was analyzed and it was demonstrated that good performance can be expected on the simulation of large queueing networks.

Nicol, David M.↗

Conservative parallel simulation of priority class queueing networks

A conservative synchronization protocol is described for the parallel simulation of queueing networks having C job priority classes, where a job's class is fixed. This problem has long vexed designers of conservative synchronization protocols because of its seemingly poor ability to compute lookahead: the time of the next departure. For, a job in service having low priority can be preempted at any time by an arrival having higher priority and an arbitrarily small service time. The solution is to skew the event generation activity so that the events for higher priority jobs are generated farther ahead in simulated time than lower priority jobs. Thus, when a lower priority job enters service for the first time, all the higher priority jobs that may preempt it are already known and the job's departure time can be exactly predicted. Finally, the protocol was analyzed and it was demonstrated that good performance can be expected on the simulation of large queueing networks.

Nicol, David↗

Integration of discrete-event dynamics and machining dynamics for machine tool: Modeling, analysis and algorithms

Machining dynamics research lays a solid foundation for machining operations by providing stable combinations of spindle speed and depth of cut. Furthermore, machine learning has been applied to predict tool life as a function of cutting speed. However, the existing research does not consider the discrete-event dynamics in machine shop, i.e., the machine tool needs to process a series of parts in queue under various practical production requirements. This paper addresses the integration of discrete-event dynamics and machining dynamics to achieve cost savings in machining. A learning-based cost function is first proposed for the studied integrated optimization problem of machine tool. The proposed cost function utilizes the predicted tool life under different stable cutting speeds for further optimizing speed selection of machine tool to deal with the discrete-event dynamics in machine shop. Then, according to the practical production requirements, effective mathematical optimization models are developed for the related integrated optimization problems with the consideration of cost, makespan and due date, respectively. Numerical results show the effectiveness of our proposed methods and also the potential to be used in practice.

Ma, Mason↗

Integrating vehicle trajectory planning and arterial traffic management to facilitate eco-approach and departure deployment

Eco-approach and departure (EAD) enable continuous vehicle motion in urban signalized corridors. Since such a motion can extend to the EAD vehicles’ followers, it makes EAD a promising technology to benefit the traffic flow where automated vehicles and conventional vehicles coexist. Most existing EAD studies envision an ideal setting that neglects real-world operational conditions such as lane changes, multi-movement intersection configuration, partially automated fleet, and/or limited traffic state awareness. This study aims to fill the gap by designing an EAD algorithm considering real-world traffic operation constraints. The proposed algorithm uses a model predictive controller to minimize vehicle speed reduction and variation based on the real-time traffic signal control plan and measured queues at the intersection. The required inputs are readily available at many modern intersections. We observed that the proposed controller’s performance might degrade because of lane-changing maneuvers and lead-left turn traffic signals. These observations motivated our development of a lane change management strategy and a signal control implementation strategy to facilitate the EAD implementation. The lane change management strategies separate the EAD operations and lane-changing maneuvers in time and space. The signal control implementation strategy applies lag-left turn signals to enable EAD operation for both the through and left-turn vehicles. Compared to the non-EAD case, our EAD approach produces 2.5% to 7.8% energy savings while keeping similar intersection mobility. Notably, this approach brings about 2.5% to 3.6% energy savings in a 2% CAV case. This result demonstrates the feasibility of deploying EAD at low connected automated vehicle penetration rates.

Arterial corridor management↗

Predicting runtime and resource utilization of jobs on integrated cloud and HPC systems

Recent advances in virtualization technologies used in cloud computing offer performance that closely approaches bare-metal levels. Combined with specialized instance types and high-speed networking services for cluster computing, cloud platforms have become a compelling option for high-performance computing (HPC). However, most current batch job schedulers in HPC systems are designed for homogeneous clusters and make decisions based on limited information about jobs and system status. Scientists typically submit computational jobs to these schedulers with a requested runtime that is often over- or under-estimated. More accurate runtime predictions can help schedulers make better decisions and reduce job turnaround times. Here, they can also support decisions about migrating jobs to the cloud to avoid long queue wait times in HPC systems.

97 MATHEMATICS AND COMPUTING↗

Offline Arterial Signal Timing Optimization for Closely Spaced Intersections

The stop-and-go driving behavior at a busy arterial causes a significant amount of fuel waste and emissions that could be reduced. For closely spaced intersections, the traditional bottom-up signal timing approach could fail under high volumes when the queues reach the upstream intersections. A well-coordinated arterial should manage the queue length to prevent the control from failing. Traditionally, coordination among signalized intersections for an arterial means finding the good offsets for each intersection. The control of the intersections along an arterial can also be coordinated by optimizing splits. Splits impact the capacity of an intersection. Similar to the highway, the capacity drop could cause growing queues. This work is based on the Virtual Phase-Link (VPL) model, a street traffic model designed for online traffic model predictive control, to obtain a top-down offline arterial signal timing. The VPL-based model can guarantee capacity consistency in intersections along an arterial. We, therefore, adopted the VPL-based model and developed an offline signal timing optimization approach. The proposed timing derived from the VPL-based offline signal timing optimization showed very good results in simulation. We also collected field experiment data, which demonstrated overall energy reductions and speed improvements on some sections of the study arterial.

47 OTHER INSTRUMENTATION↗

Analyzing Double Delays at Newark Liberty International Airport

When weather or congestion impacts the National Airspace System, multiple different Traffic Management Initiatives can be implemented, sometimes with unintended consequences. One particular inefficiency that is commonly identified is in the interaction between Ground Delay Programs (GDPs) and time based metering of internal departures, or TMA scheduling. Internal departures under TMA scheduling can take large GDP delays, followed by large TMA scheduling delays, because they cannot be easily fitted into the overhead stream. In this paper we examine the causes of these double delays through an analysis of arrival operations at Newark Liberty International Airport (EWR) from June to August 2010. Depending on how the double delay is defined between 0.3 percent and 0.8 percent of arrivals at EWR experienced double delays in this period. However, this represents between 21 percent and 62 percent of all internal departures in GDP and TMA scheduling. A deep dive into the data reveals that two causes of high internal departure scheduling delays are upstream flights making up time between their estimated departure clearance times (EDCTs) and entry into time based metering, which undermines the sequencing and spacing underlying the flight EDCTs, and high demand on TMA, when TMA airborne metering delays are high. Data mining methods (currently) including logistic regression, support vector machines and K-nearest neighbors are used to predict the occurrence of double delays and high internal departure scheduling delays with accuracies up to 0.68. So far, key indicators of double delay and high internal departure scheduling delay are TMA virtual runway queue size, and the degree to which estimated runway demand based on TMA estimated times of arrival has changed relative to the estimated runway demand based on EDCTs. However, more analysis is needed to confirm this.

traffic management advisor↗

Potential Infrastructure Cost Savings at Hybrid Wind Plus Solar PV Plants

This report documents the creation of NREL's Balance of System model for Hybrid Renewable Energy Systems (HybridBOSSE). Balance of System (BOS) costs account for approximately 30% of the capital expenditure required to install a land-based wind plant, and as much as 40% of the cost of installing a solar PV plant. Hybrid Renewable Energy systems present an opportunity to combine balance of system components to achieve cost savings, and HybridBOSSE aims to provide a component-level model to determine the associated BOS costs in a hybrid renewable energy system. Prior BOS models for hybrid systems (at NREL and elsewhere) have relied on empirical curve fits of legacy industry data, limiting their utility and their predictive ability for new technology combinations and configurations, such as those found in Hybrid Plants. Hybrid plants at the utility scale have considerably more interest in the last number of years, with ever-growing capacities in the interconnection queues, and many large developers pivoting to only consider hybrid plants going forward. As these plants become a commercial reality, the need for a detailed analysis of costs in a hybrid plant to fully exploit the available cost savings grows. The tool developed and documented in this work, HybridBOSSE, provides an open-source, python-based method of assessing the costs in hybrid plants. This analysis capability unlocks greater certainty in hybrid plant costs, as well as the ability to examine scenarios of hybridization and glean combinations that offer the greatest flexibility and cost reduction.

14 SOLAR ENERGY↗

Architecture for Integrated Medical Model Dynamic Probabilistic Risk Assessment

Probabilistic Risk Assessment (PRA) is a modeling tool used to predict potential outcomes of a complex system based on a statistical understanding of many initiating events. Utilizing a Monte Carlo method, thousands of instances of the model are considered and outcomes are collected. PRA is considered static, utilizing probabilities alone to calculate outcomes. Dynamic Probabilistic Risk Assessment (dPRA) is an advanced concept where modeling predicts the outcomes of a complex system based not only on the probabilities of many initiating events, but also on a progression of dependencies brought about by progressing down a time line. Events are placed in a single time line, adding each event to a queue, as managed by a planner. Progression down the time line is guided by rules, as managed by a scheduler. The recently developed Integrated Medical Model (IMM) summarizes astronaut health as governed by the probabilities of medical events and mitigation strategies. Managing the software architecture process provides a systematic means of creating, documenting, and communicating a software design early in the development process. The software architecture process begins with establishing requirements and the design is then derived from the requirements.

Probability Theory↗

Adaptive Computing for Scale-Up Problems

Adaptive Computing is an application-agnostic outer loop framework to strategically deploy simulations and experiments to guide decision making for scale-up analysis. Resources are allocated over successive batches, which makes the allocation adaptive to some objective such as optimization or model training. The framework enables the characterization and management of uncertainties associated with predictive models of complex systems when scale-up questions lead to significant model extrapolation. A key advancement of this framework is its integration of multi-fidelity surrogate modeling, uncertainty management, and automated orchestration of various computing and experimentation resources into a single integrated software package. This enables efficient multi-fidelity modeling across multiple computing resources by incorporating real-world constraints such as relative queue times and throughput on individual machines into the multi-fidelity sampling decision. We discuss applications of this framework to problems in the renewable energy space, including biofuels production, material synthesis, perovskite crystal growth, and building electrical loads.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Active Learning Framework

Machine learning (ML) of interatomic potentials show great promise to accelerate scientific simulation, e.g., by emulating expensive computations at a high accuracy but much reduced computational cost. Training datasets are calculated from computationally expensive ab initio quantum mechanics methods, density functional theory (DFT). Trained on this data, an ML model can be very successful in predicting energy and forces for new atomic configurations. A critical factor is the quality and diversity of the training dataset. Thus, a highly automated approach to dataset construction based on active learning framework is designed suitable for material physics. The active learning scheme begins with fully randomized atomic configurations. Then, many Molecular Dynamics (MD) trajectories are simulated using current ML potentials, where each MD trajectory is initialized to a random disordered configuration. The temperature is varied in order to diversify the sampled configuration during these simulations. The variance of predictions for eight neural networks within an ensemble is analyzed to determine whether the model is operating as expected. This helps in determining whether collecting more data would be helpful to the model by checking the ensemble variance is greater than the threshold. In this case, the MD trajectory is terminated and the final atomic configuration is placed on a queue (SQL database) for DFT calculations and added to training dataset. Periodically, ML model is retrained to the updated training model. This Active Learning loop is iterated until the cost of MD simulations becomes prohibitively expensive. The MD simulations will hopefully be sufficiently robust to support nucleation after many active learning iterations. In this sense, active learning scheme must automatically discover the important low energy and nonequilibrium physics.

Nebgen, Benjamin↗

An experimental paradigm for team decision processes

The study of distributed information processing and decision making is presently hampered by two factors: (1) The inherent complexity of the mathematical formulation of decentralized problems has prevented the development of models that could be used to predict performance in a distributed environment; and (2) The lack of comprehensive scientific empirical data on human team decision making has hindered the development of significant descriptive models. As a part of a comprehensive effort to find a new framework for multihuman decision making problems, a novel experimental research paradigm was developed involving human terms in decision making tasks. Attempts to construct parts of an integrated model with ideas from queueing networks, team theory, distributed estimation and decentralized resource management are described.

Serfaty, D.↗

Analyzing Double Delays at Newark Liberty International Airport (EWR)

When weather or congestion impacts the National Airspace System, multiple different Traffic Management Initiatives can be implemented, sometimes with unintended consequences. One particular perceived inequity that is commonly identified is in the interaction between Ground Delay Programs (GDPs) and time based scheduling of internal departures by the Traffic Management Advisor (TMA) (now operationally superseded by the FAA's the Time-Based Flow Management system). Internal departures under TMA scheduling can take large GDP delays, followed by large TMA scheduling delays, because they cannot easily fit into the arrival flow at the runway. In this paper we examine the causes of these double delays through an analysis of arrival operations at Newark Liberty International Airport (EWR) from June to August 2010. TMA scheduling delays are found to be generally higher than TMA airborne metering delays, regardless of prior GDP delays. Depending on how the double delay is defined, between 42 and 62 of all internal departures in GDP and TMA scheduling experienced double delays in this period. A deep dive into the data reveals that contributors to double delays include upstream flights departing before their Expect Departure Clearance Times (EDCTs); differences in the rates used for setting EDCTs and TMA Scheduled Times of Arrival; differences in the arrival demand expected based on EDCTs and the arrival demand entering TMA; and shorter en route times between takeoff and entry into TMA than assumed in the calculation of flight EDCTs, all of which undermine the sequencing and spacing underlying flight EDCTs. Double delays are also found to coincide with periods in which the virtual runway arrival queue being served by a TMA is large, there are periods of high demand relative to capacity, and there are high airborne metering delays. Data mining techniques are used to confirm that each of these factors contribute to the occurrence of double delay andor high internal departure scheduling delay across three months of data from June to August 2010. Predictors of the occurrence of double delay and high TMA scheduling delay are built using logistic regression, providing prediction accuracies of 69 and 73, respectively.

traffic flow management↗

ATD-2 TFDM Terminal Publication Service (TTP)

Learn the many benefits of the newest SWIM feed from the surface system. This will discuss current options to onboard with this feed, allow participants to ask questions and provide some examples of how the data can be used. Service Includes Flight Data Individual flight updates containing flight identifiers, targeted times, actual times, runway, parking gate, spot, departure fix (predicted, assigned, actual as appropriate), flight states, and more. Airport Information Airport configurations, airport and runway rates, ramp closures, runway closures, taxiway closures. Traffic Management Restrictions Call for Release programs departure MIT/MINIT restrictions, departure stop/ground stop programs. Along with list of impacted flights for each. Flight Delay Airport and runway delay by arrival, departure, and total. Operational Metrics Metrics on airport throughput and individual flight metrics. Surface Metering Program SMP start / end times, metering constraint type / details, updates to existing programs, TMAT compliance window, departure queue length, and more.

Gorman, Shawn M.↗

Same Data, Different Audiences: Using Personas to Scope a Supercomputing Job Queue Visualization

Domain-specific visualizations sometimes focus on narrow, albeit important, tasks for one group of users. This focus limits the utility of a visualization to other groups working with the same data. While tasks elicited from other groups can present a design pitfall if not disambiguated, they also present a design opportunity—namely, the development of visualizations that support multiple groups. This development choice presents a trade-off of broadening the scope but limiting support for the more narrow tasks of any one group, which in some cases can enhance the overall utility of the visualization. We investigate this scenario through a design study where we develop Guidepost, a notebook-embedded visualization of data that helps scientists assess compute wait times, machine learning researchers understand prediction accuracy, and system maintainers analyze usage trends. We adapt the use of personas for visualization design from existing literature in the HCI and design domains, applying them to categorize tasks based on their uniqueness across stakeholder personas. Under this model, tasks shared between all groups should be supported by interactive visualizations and tasks unique to each group can be deferred to scripting with notebook-embedded visualization design. We evaluate our visualization through real-world case studies and a task-focused evaluation with nine participants. We observe that together, Guidepost's visual encodings, interactions, and export capabilities support the tasks of our differing personas.

97 MATHEMATICS AND COMPUTING↗