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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 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Fullrmc, a rigid body reverse monte carlo modeling package enabled with machine learning and artificial intelligence

Here, a new Reverse Monte Carlo (RMC) package ‘fullrmc’ for atomic or rigid body and molecular, amorphous or crystalline materials is presented. fullrmc main purpose is to provide a fully modular, fast and flexible software, thoroughly documented, complex molecules enabled, written in a modern programming language (python, cython ,C and C++ when performance is needed) and complying to modern programming practices. fullrmc approach in solving an atomic or molecular structure is different from existing RMC algorithms and software. In a nutshell, traditional RMC methods and software randomly adjust atom positions until the whole system has the greatest consistency with a set of experimental data. In contrast, fullrmc applies smart moves endorsed with reinforcement machine learning to groups of atoms. While fullrmc allows running traditional RMC modelling, the uniqueness of this approach resides in its ability to customize grouping atoms in any convenient way with no additional programming efforts and to apply smart and more physically meaningful moves to the defined groups of atoms. Also fullrmc provides a unique way with almost no additional computational cost to recur a group’s selection, allowing the system to go out of local minimas by refining a group’s position or exploring through and beyond not allowed positions and energy barriers the unrestricted three dimensional space around a group.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Ensemble‐Based, Large‐Eddy Reconstruction of Wind Turbine Inflow in a Near‐Stationary Atmospheric Boundary Layer Through Generative Artificial Intelligence

ABSTRACT To validate the second‐by‐second dynamics of turbines in field experiments, it is necessary to accurately reconstruct the winds going into the turbine. Current time‐resolved inflow reconstruction techniques estimate wind behavior in unobserved regions using relatively simple spectral‐based models of the atmosphere. Here, we develop a technique for time‐resolved inflow reconstruction that is rooted in a large‐eddy simulation model of the atmosphere. Our “large‐eddy reconstruction” technique blends observations and atmospheric model information through a diffusion model machine learning algorithm, allowing us to generate probabilistic ensembles of reconstructions for a single 10‐min observational period. Our generated inflows can be used directly by aeroelastic codes or as inflow boundary conditions in a large‐eddy simulation. We verify the second‐by‐second reconstruction capability of our technique in three synthetic field campaigns, finding positive Pearson correlation coefficient values () between ground‐truth and reconstructed streamwise velocity, as well as smaller positive correlation coefficient values for unobserved fields (spanwise velocity, vertical velocity, and temperature). We validate our technique in three real‐world case studies by driving large‐eddy simulations with reconstructed inflows and comparing to independent inflow measurements. The reconstructions are visually similar to measurements, follow desired power spectra properties, and track second‐by‐second behavior ().

17 WIND ENERGY↗
DOE OSTI2024

IRIS Reimagined: Advancements in Intelligent Runtime System for Task-Based Programming

Task-based programming models are gaining traction in scientific computing. IRIS is a portable runtime system that exploits multiple heterogeneous programming systems and can discover available resources and manage multiple diverse programming systems (e.g., CUDA, Hexagon, HIP, Level Zero, OpenCL, and OpenMP) simultaneously. It accounts for the constraints of task dependencies and provides customizable scheduling policies to map those tasks to heterogeneous devices. In this paper, we present new capabilities added to IRIS to improve its portability for heterogeneous programming, build-friendliness, and performance efficiency. The new additions include vendor-specific kernel support, a runtime system with a foreign function interface to eliminate writing wrapper or boilerplate code for heterogeneous kernels, an easy-to-use and configurable CMake-based build environment, automatic and efficient data transfers and orchestration, and the Hunter and DAGGER toolchains to evaluate IRIS’s task scheduling algorithms.

Miniskar, Narasinga Rao↗
DOE OSTI2017

Redefining the Practice of Peer Review Through Intelligent Automation Part 2: Data-Driven Peer Review Selection and Assignment

In conventional radiology peer review practice, a small number of exams (routinely 5% of the total volume) is randomly selected, which may significantly underestimate the true error rate within a given radiology practice. An alternative and preferable approach would be to create a data-driven model which mathematically quantifies a peer review risk score for each individual exam and uses this data to identify high risk exams and readers, and selectively target these exams for peer review. An analogous model can also be created to assist in the assignment of these peer review cases in keeping with specific priorities of the service provider. An additional option to enhance the peer review process would be to assign the peer review cases in a truly blinded fashion. In addition to eliminating traditional peer review bias, this approach has the potential to better define exam-specific standard of care, particularly when multiple readers participate in the peer review process.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Redefining the Practice of Peer Review Through Intelligent Automation—Part 3: Automated Report Analysis and Data Reconciliation

One method for addressing existing peer review limitations is the assignment of peer review cases on a completely blinded basis, in which the peer reviewer would create an independent report which can then be cross-referenced with the primary reader report of record. By leveraging existing computerized data mining techniques, one could in theory automate and objectify the process of report data extraction, classification, and analysis, while reducing time and resource requirements intrinsic to manual peer review report analysis. Once inter-report analysis has been performed, resulting inter-report discrepancies can be presented to the radiologist of record for review, along with the option to directly communicate with the peer reviewer through an electronic data reconciliation tool aimed at collaboratively resolving inter-report discrepancies and improving report accuracy. All associated report and reconciled data could in turn be recorded in a referenceable peer review database, which provides opportunity for context and user-specific education and decision support.

42 ENGINEERING↗
DOE OSTI2021

Building Toward the Future in Chemical and Materials Simulation with Accessible and Intelligently Designed Web Applications

Over the last few decades, significant progress has been made in the development and use of electronic structure and other molecular simulation methods. As these methods become more mature and are able to simulate larger and more complex chemical simulations, the need for improvement in scientific visualization, molecular builders, simplified input to simulation methods, and the development of new approaches and languages to describe simulations, along with workflows to carry them out, becomes more apparent. In this chapter, we describe our recent efforts in developing a prototype open-source computational tool called Arrows that combines NWChem, SQL and NoSQL databases, email, web APIs, and web applications in a way that make molecular and materials modeling accessible to all scientists and engineers. At the same time, because of its simplified input, it provides a framework for expert users to carry out large numbers of calculations and run complex workflows.

2↗
DOE OSTI2019

Intelligent load pattern modeling and denoising using improved variational mode decomposition for various calendar periods

This paper proposes a novel approach to identify the load patterns considering calendar impact and denoising process, which advances the state of art of load identification and load forecasting to a more flexible and adaptive extent by revealing the correlation between load profile and the substantial influence factors. With the rapid development and the promising application of energy intemet and grid modernization, the accurate load modeling and forecasting especially by load pattern modeling (LPM) have become more and more critical to observe and estimate load profile so as to optimize the operation efficiency of the power grid. Traditional methods mostly focus on the static LPM itself which are unable to account the non-linear and highly dynamic load fluctuations in order to balance the demand of the power grid during various calendar period (VCP) scheduling. In this paper, a load pattern modeling method for power grid considering the impact of typical calendar effects is proposed using a combination of improved variational mode decomposition (IVMD) and deep belief network (DBN) algorithm. Firstly, an index of load curve curvature (LCC) is proposed to improve the selection of value K in the conventional VMD algorithm. The value K of the intrinsic modality is determined by adopting LCC to better quantify the average instantaneous frequency of the modal decomposition of the VMD and to reduce the elevated stochasticity of k. Secondly, an optimization formulation is developed based on adaptive segmented loop decomposition of the typical correlation coefficient to suppress the edge effect in VMD decomposition, which would enable the reconstructed curve to incorporate the variabilities from the initial data. Finally, the IVMD and DBN algorithms are jointly implemented to optimize the accuracy of VCP load pattern modeling curve regression. Numerical examples have been performed with the results proving that the proposed method significantly outperforms the state-of-art in reducing the modeling error of VCP load curve, improving the overall forecasting accuracy, and reducing load dispatching cost.

deep belief network↗
DOE OSTI2020

Intelligent multi-zone residential HVAC control strategy based on deep reinforcement learning

Residential heating, ventilation, and air conditioning (HVAC) has been considered as an important demand response resource. However, the optimization of residential HVAC control is no trivial task due to the complexity of the thermal dynamic models of buildings and uncertainty associated with both occupant-driven heat loads and weather forecasts. In this paper, we apply a novel model-free deep reinforcement learning (RL) method, known as the deep deterministic policy gradient (DDPG), to generate an optimal control strategy for a multi-zone residential HVAC system with the goal of minimizing energy consumption cost while maintaining the users’ comfort. Here, the applied deep RL-based method learns through continuous interaction with a simulated building environment and without referring to any prior model knowledge. Simulation results show that compared with the state-of-art deep Q network (DQN), the DDPG-based HVAC control strategy can reduce the energy consumption cost by 15% and reduce the comfort violation by 79%; and when compared with a rule-based HVAC control strategy, the comfort violation can be reduced by 98%. In addition, experiments with different building models and retail price models demonstrate that the well-trained DDPG-based HVAC control strategy has high generalization and adaptability to unseen environments, which indicates its practicability for real-world implementation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗