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At least 163 records · Page 9

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Molecular-orbital-based machine learning for open-shell and multi-reference systems with kernel addition Gaussian process regression

We introduce a novel machine learning strategy, kernel addition Gaussian process regression (KA-GPR), in molecular-orbital-based machine learning (MOB-ML) to learn the total correlation energies of general electronic structure theories for closed- and open-shell systems by introducing a machine learning strategy. The learning efficiency of MOB-ML(KA-GPR) is the same as the original MOB-ML method for the smallest criegee molecule, which is a closed-shell molecule with multi-reference characters. In addition, the prediction accuracies of different small free radicals could reach the chemical accuracy of 1 kcal/mol by training on one example structure. Accurate potential energy surfaces for the H10 chain (closed-shell) and water OH bond dissociation (open-shell) could also be generated by MOB-ML(KA-GPR). To explore the breadth of chemical systems that KA-GPR can describe, we further apply MOB-ML to accurately predict the large benchmark datasets for closed- (QM9, QM7b-T, and GDB-13-T) and open-shell (QMSpin) molecules.

Chemistry↗

DOE OSTI2019

Deep Reinforcement Learning and Simulation as a Path Toward Precision Medicine

In the past, precision medicine involves classifying patients to identify subpopulations that respond favorably to specific therapeutics. We discuss precision medicine as a dynamic feedback control problem, where treatment administered to a patient is guided by measurements taken during the course of treatment. We consider sepsis, a life-threatening condition in which dysregulation of the immune system causes tissue damage. We leverage an existing simulation of the innate immune response to infection and apply deep reinforcement learning (DRL) to discover an adaptive personalized treatment policy that specifies effective multicytokine therapy to simulated sepsis patients based on systemic measurements. The learned policy achieves a dramatic reduction in mortality rate over a set of 500 simulated patients relative to standalone antibiotic therapy. Advantages of our approach are threefold: (1) the use of simulation allows exploring therapeutic strategies beyond clinical practice and available data, (2) advances in DRL accommodate learning complex therapeutic strategies for complex biological systems, and (3) optimized treatments respond to a patient's individual disease progression over time, therefore, capturing both differences across patients and the inherent randomness of disease progression within a single patient. We believe that this work motivates both considering adaptive personalized multicytokine mediation therapy for sepsis and exploiting simulation with DRL for precision medicine more broadly.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Topology Inference of Unknown Networks Based on Robust Virtual Coordinate Systems

Learning and exploring the connectivity of unknown networks represent an important problem in practical applications of communication networks and social-media networks. Modeling large-scale networks as connected graphs is highly desirable to extract their connectivity information among nodes to visualize network topology, disseminate data, and improve routing efficiency. This paper investigates a simple measurement model in which a small subset of source nodes collect hop distance information from networked nodes in order to generate a virtual coordinate system (VCS) for networks of unknown topology. We establish the VCS to define logical distance among nodes based on principal component analysis and to determine connectivity relationship and effective routing methods. More importantly, we present a robust analytical algorithm to derive the VCS against practical issues of missing and corrupted measurements. We also develop a connectivity inference method which classifies nodes into layers based on the hop distances and derives partial information on network connectivity.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

System and method for structural characterization of materials by supervised machine learning-based analysis of their spectra

A method of supervised machine learning-based spectrum analysis information, using a neural network trained with spectrum information, to identify a specified feature of a given material, a system for supervised machine learning-based spectrum analysis, and a method of training a neural network to analyze spectrum data. The method of supervised machine learning-base spectrum analysis comprises inputting into the neural network spectrum data obtained from a sample of the given material; and the neural network processing the spectrum data, in accordance with the training of the neural network, and outputting one or more values for the specified feature of the sample of the material. In an embodiment, the training set of data includes x-ray absorption spectroscopy data for the given material. In an embodiment, the training set of data includes electron energy loss spectra (EELS) data.

Frenkel, Anatoly↗

DOE OSTI2020

Deep Learning-Based Queue-Aware Eco-Approach and Departure System for Plug-In Hybrid Electric Buses at Signalized Intersections: A Simulation Study

Eco-Approach and Departure (EAD) has been considered as a promising eco-driving strategy for vehicles traveling in an urban environment, where information such as signal phase and timing (SPaT) and geometric intersection description is well utilized to guide vehicles passing through intersections in the most energy-efficient manner. Previous studies formulated the optimal trajectory planning problem as finding the shortest path on a graphical model. While this method is effective in terms of energy saving, its computation efficiency can be further enhanced by adopting machine learning techniques. In this paper, we propose an innovative deep learning-based queue-aware eco-approach and departure (DLQ-EAD) system for a plug-in hybrid electric bus (PHEB), which is able to provide an online optimal trajectory for the vehicle considering both the downstream traffic condition (i.e. traffic lights, queues) and the vehicle powertrain efficiency. Based on optimal solutions obtained from the graph-based trajectory planning algorithm (GTPA), a deep neural network (DNN) is developed to learn the optimal vehicle speed for the next time step given its current state. It is demonstrated that the trained DNN can provide energy-efficient trajectories with high computational efficiency and high flexibility adopting to dynamic changes in the surrounding environment. To address the impact of downstream traffic, a queue prediction model is further developed using data from radars and connected vehicles (CVs), as well as signal timing data from SPaT messages. A comprehensive simulation study in the microscopic traffic modeling software PTV VISSIM shows that the proposed DLQ-EAD can achieve 18.7%-24.0% energy efficiency improvements for a single PHEB on various traffic congestion levels. The proposed queue prediction model can be of practical significance even at low penetration rates of CVs. Specifically, additional energy savings of 2.0%-8.2% can be further achieved with 20% vehicles in the network.

Ye, Fei↗

DOE OSTI2018

Machine Learning Based Parallel I/O Predictive Modeling: A Case Study on Lustre File Systems

Parallel I/O hardware and software infrastructure is a key contributor to performance variability for applications running on large-scale HPC systems. This variability confounds efforts to predict application performance for characterization, modeling, optimization, and job scheduling. We propose a modeling approach that improves predictive ability by explicitly treating the variability and by leveraging the sensitivity of application parameters on performance to group applications with similar characteristics. We develop a Gaussian process-based machine learning algorithm to model I/O performance and its variability as a function of application and file system characteristics. We demonstrate the effectiveness of the proposed approach using data collected from the Edison system at the National Energy Research Scientific Computing Center. The results show that the proposed sensitivity-based models are better at prediction when compared with application-partitioned or unpartitioned models. We highlight modeling techniques that are robust to the outliers that can occur in production parallel file systems. Using the developed metrics and modeling approach, we provide insights into the file system metrics that have a significant impact on I/O performance.

I/O performance variability↗

NASA NTRS2011

Clonal Selection Based Artificial Immune System for Generalized Pattern Recognition

The last two decades has seen a rapid increase in the application of AIS (Artificial Immune Systems) modeled after the human immune system to a wide range of areas including network intrusion detection, job shop scheduling, classification, pattern recognition, and robot control. JPL (Jet Propulsion Laboratory) has developed an integrated pattern recognition/classification system called AISLE (Artificial Immune System for Learning and Exploration) based on biologically inspired models of B-cell dynamics in the immune system. When used for unsupervised or supervised classification, the method scales linearly with the number of dimensions, has performance that is relatively independent of the total size of the dataset, and has been shown to perform as well as traditional clustering methods. When used for pattern recognition, the method efficiently isolates the appropriate matches in the data set. The paper presents the underlying structure of AISLE and the results from a number of experimental studies.

pattern recognition↗

DOE OSTI2025

Machine-learning-based efficient parameter space exploration for energy storage systems

Not Available

Bayesian optimization↗

DOE OSTI2022

Post-Disaster Microgrid Formation for Enhanced Distribution System Resilience

This paper proposes a deep reinforcement learning (DRL) based approach for post-disaster critical load restoration in active distribution systems to form microgrids through network reconfiguration to minimize critical load curtailments. Distribution networks are represented as graph networks, and optimal network configurations with microgrids are obtained by searching for the optimal spanning forest. The constraints to the research question being explored are the radial topology and power balance. Unlike existing analytical and population-based approaches, which necessitate the repetition of entire analyses and computation for each outage scenario to find the optimal spanning forest, the proposed approach, once properly trained, can quickly determine the optimal, or near-optimal, spanning forest even when outage scenarios change. When multiple lines fail in the system, the proposed approach forms microgrids with distributed energy resources in active distribution systems to reduce critical load curtailment. The proposed DRL-based model learns the action-value function using the REINFORCE algorithm, which is a model-free reinforcement learning technique based on stochastic policy gradients. A case study was conducted on a 33-node distribution test system, demonstrating the effectiveness of the proposed approach for post-disaster critical load restoration.

active distribution systems↗

DOE OSTI2016

WE-H-BRC-09: Simulated Errors in Mock Radiotherapy Plans to Quantify the Effectiveness of the Physics Plan Review

Purpose: A standard tool for ensuring the quality of radiation therapy treatments is the initial physics plan review. However, little is known about its performance in practice. The goal of this study is to measure the effectiveness of physics plan review by introducing simulated errors into “mock” treatment plans and measuring the performance of plan review by physicists. Methods: We generated six mock treatment plans containing multiple errors. These errors were based on incident learning system data both within the department and internationally (SAFRON). These errors were scored for severity and frequency. Those with the highest scores were included in the simulations (13 errors total). Observer bias was minimized using a multiple co-correlated distractor approach. Eight physicists reviewed these plans for errors, with each physicist reviewing, on average, 3/6 plans. The confidence interval for the proportion of errors detected was computed using the Wilson score interval. Results: Simulated errors were detected in 65% of reviews [51–75%] (95% confidence interval [CI] in brackets). The following error scenarios had the highest detection rates: incorrect isocenter in DRRs/CBCT (91% [73–98%]) and a planned dose different from the prescribed dose (100% [61–100%]). Errors with low detection rates involved incorrect field parameters in record and verify system (38%, [18–61%]) and incorrect isocenter localization in planning system (29% [8–64%]). Though pre-treatment QA failure was reliably identified (100%), less than 20% of participants reported the error that caused the failure. Conclusion: This is one of the first quantitative studies of error detection. Although physics plan review is a key safety measure and can identify some errors with high fidelity, others errors are more challenging to detect. This data will guide future work on standardization and automation. Creating new checks or improving existing ones (i.e., via automation) will help in detecting those errors with low detection rates.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Verification of Spent Fuel Inside Dry Storage Casks by Cask Top Fast Neutron Mapping (FY2023 Mid-Year Report)

This project is developing a prototype scanner array verification system for detection of missing fuel assemblies in spent-fuel storage casks. The prototype consists of six fast-neutron scintillator detectors mounted to a linear actuator frame that is placed on the top of a spent fuel cask to scan across all fuel assembly positions. The scanner array was assembled and tested at LLNL in FY2022. A field test schedule has been requested at the Idaho National Laboratory (INL) Cask Farm site for FY2023. Note that the Cask Farm contractor determines this scheduling and not INL directly. Further system automation will be designed and implemented with the goal of obtaining a level of system operation that meets IAEA needs. This includes integration of the scanner array and data-acquisition control software into a single interface for operator use. In addition, commercial operators and the IAEA may have special requirements for portability, shipping, lifting, and installation. Prior to the Field Test at INL, the system will be operated at LLNL to exercise lifting procedure and linear actuators, monitor stability of detector energy and pulse-shape discrimination calibration, and test system software integration efforts. Following the Field Test, we will present results and discuss the technology with the IAEA. We will incorporate additional improvements to the system based on lessons learned from the field test and feedback from the IAEA. If successful, the technology can be transferred to the IAEA or other stakeholders for assessment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

FY2024 Mid-Year Report: Verification of Spent Fuel Inside Dry Storage Casks by Cask Top Fast Neutron Mapping

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Fast Adaptive Neural Control of Resonant Extraction at Fermilab

We present the development of a machine learning (ML) based regulation system for third-order resonant beam extraction in the Mu2e experiment at Fermilab. Classical and ML-based controllers have been optimized using semi-analytic simulations and evaluated in terms of regulation performance and training efficiency. We compare several controller architectures and discuss the integration of neural control into an adaptive framework. We also present progress on surrogate models that predict the controller response given a spill intensity and controller action history. To enable real-time deployment, we report progress on implementing low-latency, edge-based inference suitable for hardware-constrained environments. Our results demonstrate the feasibility and advantages of ML-based control in managing complex, time-varying physical systems, with broader implications for accelerator operations and other domains requiring fast, adaptive regulation.

Berlioz, Jose Rene [Fermilab]↗

NASA NTRS2010

Alvin (Al) Sieff: Thoughts About and Lessons from a Great Engineer

Alvin (Al) Seiff was known as a world-class atmospheric scientist during the last three decades of his life. Equally deserving, however, were his prior achievements as an innovative engineer, an exceptional technical manager, and a mentor of young engineers at NASA Ames Research Center. This paper outlines Al's role in developing Ames ballistic range facilities, probably the most advanced in the world at that time, and his seminal 1963 report that contained the concepts used to reconstruct the atmospheres of Mars, Venus, Jupiter and Titan. Also discussed is my affiliation with Al after he hired me in 1962, including our joint work on Mars missions and investigating the feasibility that a Jupiter probe could survive entry, work that eventually led to the development of the Galileo probe. Finally, suggestions are offered for speeding the analysis and design of thermal protection systems based on lessons learned from successful probes and landers.

Tauber, Michael↗

NASA NTRS2019

Aerodynamic Characterization and Improved Testing Methods for the Space Launch System Liftoff and Transition Environment

Low-speed wind tunnel testing for the liftoff and transition environment of the Space Launch System (SLS) was recently completed in the NASA Langley Research Center 14- by 22-Foot Subsonic Tunnel using 1.75%-scale models of three SLS vehicle configurations. During the liftoff testing, the primary objective was to evaluate the aerodynamic forces and moments on the SLS launch vehicles, as the vehicle, launch tower, and mobile launch platform were subjected to ground winds from all directions at varying heights for the vehicle off the launch pad. Additionally, aerodynamic forces and moments were acquired for all three SLS vehicles during the transition phase from liftoff to ascent that covered a wide range of angles of attack and angles of side slip. Details of the experimental setup including improved testing methods and a stiffer sting-balance system based on lessons learned from previous test entries are presented. Also, a new force measurement technique was applied during the test where two subminiature six-component load cells were installed in each Solid Rocket Booster (SRB) to acquire forces and moments for each SRB separately from the full vehicle forces and moments measured by the main strain gauge balance. Finally, sample results from the experiment are presented including improved overall data coverage, evaluation of the new SRB data, and smoke flow visualization photos.

Chan, David T.↗

DOE OSTI2022

Dynamic energy system modeling using hybrid physics-based and machine learning encoder–decoder models

Three model configurations are presented for multi-step time series predictions of the heat absorbed by the water and steam in a thermal power plant. The models predict over horizons of 2, 4, and 6 steps into the future, where each step is a 5-minute increment. The evaluated models are a pure machine learning model, a novel hybrid machine learning and physics-based model, and the hybrid model with an incomplete dataset. The hybrid model deconstructs the machine learning into individual boiler heat absorption units: economizer, water wall, superheater, and reheater. Each configuration uses a gated recurrent unit (GRU) or a GRU-based encoder–decoder as the deep learning architecture. Mean squared error is used to evaluate the models compared to target values. The encoder–decoder architecture is over 11% more accurate than the GRU only models. The hybrid model with the incomplete dataset highlights the importance of the manipulated variables to the system. The hybrid model, compared to the pure machine learning model, is over 10% more accurate on average over 20 iterations of each model. Automatic differentiation is applied to the hybrid model to perform a local sensitivity analysis to identify the most impactful of the 72 manipulated variables on the heat absorbed in the boiler. The models and sensitivity analyses are used in a discussion about optimizing the thermal power plant.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2000

Experimental Verification of Electric Drive Technologies Based on Artificial Intelligence Tools

In this report, a fully integrated prototype of a flight servo control system is successfully developed and implemented using brushless dc motors. The control system is developed by the fuzzy logic theory, and implemented with a multilayer neural network. First, a neural network-based architecture is introduced for fuzzy logic control. The characteristic rules and their membership functions of fuzzy systems are represented as the processing nodes in the neural network structure. The network structure and the parameter learning are performed simultaneously and online in the fuzzy-neural network system. The structure learning is based on the partition of input space. The parameter learning is based on the supervised gradient decent method, using a delta adaptation law. Using experimental setup, the performance of the proposed control system is evaluated under various operating conditions. Test results are presented and discussed in the report. The proposed learning control system has several advantages, namely, simple structure and learning capability, robustness and high tracking performance and few nodes at hidden layers. In comparison with the PI controller, the proposed fuzzy-neural network system can yield a better dynamic performance with shorter settling time, and without overshoot. Experimental results have shown that the proposed control system is adaptive and robust in responding to a wide range of operating conditions. In summary, the goal of this study is to design and implement-advanced servosystems to actuate control surfaces for flight vehicles, namely, aircraft and helicopters, missiles and interceptors, and mini- and micro-air vehicles.

Rubaai, Ahmed↗

DOE OSTI2021

A Secure Learning Control Strategy via Dynamic Camouflaging for Unknown Dynamical Systems under Attacks

This paper presents a secure reinforcement learning (RL) based control method for unknown linear time-invariant cyber-physical systems (CPSs) that are subjected to compositional attacks such as eavesdropping and covert attack. We consider the attack scenario where the attacker learns about the dynamic model during the exploration phase of the learning conducted by the designer to learn a linear quadratic regulator (LQR), and thereafter, use such information to conduct a covert attack on the dynamic system, which we refer to as doubly learning-based control and attack (DLCA) framework. We propose a dynamic camouflaging based attack-resilient reinforcement learning (ARRL) algorithm which can learn the desired optimal controller for the dynamic system, and at the same time, can inject sufficient misinformation in the estimation of system dynamics by the attacker. The algorithm is accompanied by theoretical guarantees and extensive numerical experiments on a consensus multi-agent system and on a benchmark power grid model.

Mukherjee, Sayak↗