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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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The Application of Artificial Intelligence and Deep Learning to Visually Identify Micrometeoroid and Orbital Debris Impacts

Recent advancements in Artificial Intelligence (AI) have made Machine Learning (ML) techniques readily available for practical applications while using a fraction of time that was previously required. In particular, the use of Deep Learning (DL) algorithms has advanced the field of image and pattern recognition. With the use of Deep Learning algorithms, Micrometeoroid and Orbital Debris(MMOD) penetrations can be identified with high accuracy and give possibilities to new understandings of hypervelocity impacts.

Deep Learning↗
NASA NTRS2011

Collaborative Clustering for Sensor Networks

Traditionally, nodes in a sensor network simply collect data and then pass it on to a centralized node that archives, distributes, and possibly analyzes the data. However, analysis at the individual nodes could enable faster detection of anomalies or other interesting events, as well as faster responses such as sending out alerts or increasing the data collection rate. There is an additional opportunity for increased performance if individual nodes can communicate directly with their neighbors. Previously, a method was developed by which machine learning classification algorithms could collaborate to achieve high performance autonomously (without requiring human intervention). This method worked for supervised learning algorithms, in which labeled data is used to train models. The learners collaborated by exchanging labels describing the data. The new advance enables clustering algorithms, which do not use labeled data, to also collaborate. This is achieved by defining a new language for collaboration that uses pair-wise constraints to encode useful information for other learners. These constraints specify that two items must, or cannot, be placed into the same cluster. Previous work has shown that clustering with these constraints (in isolation) already improves performance. In the problem formulation, each learner resides at a different node in the sensor network and makes observations (collects data) independently of the other learners. Each learner clusters its data and then selects a pair of items about which it is uncertain and uses them to query its neighbors. The resulting feedback (a must and cannot constraint from each neighbor) is combined by the learner into a consensus constraint, and it then reclusters its data while incorporating the new constraint. A strategy was also proposed for cleaning the resulting constraint sets, which may contain conflicting constraints; this improves performance significantly. This approach has been applied to collaborative clustering of seismic and infrasonic data collected by the Mount Erebus Volcano Observatory in Antarctica. Previous approaches to distributed clustering cannot readily be applied in a sensor network setting, because they assume that each node has the same view of the data set. A view is the set of features used to represent each object. When a single data set is partitioned across several computational nodes, distributed clustering works; all objects have the same view. But when the data is collected from different locations, using different sensors, a more flexible approach is needed. This approach instead operates in situations where the data collected at each node has a different view (e.g., seismic vs. infrasonic sensors), but they observe the same events. This enables them to exchange information about the likely cluster membership relations between objects, even if they do not use the same features to represent the objects.

Wagstaff. Loro :/↗
DOE OSTI2021

Application of machine learning in the determination of impact parameter in the 132 Sn+ 124 Sn system

Here, 132 Sn + 124 Sn collisions at a beam energy of 270 MeV/nucleon were performed at the Radioactive Isotope Beam Factory (RIBF) in RIKEN to investigate the nuclear equation of state. Reconstructing the impact parameter is one of the important tasks in the experiment as it relates to many observable. In this work, we employ three commonly used algorithms in machine learning, the artificial neural network (ANN), the convolutional neural network (CNN), and the light gradient boosting machine (LightGBM), to determine the impact parameter by analyzing either the charged particle spectra or several features simulated with events from the ultrarelativistic quantum molecular dynamics (UrQMD) model. To closely imitate experimental data and investigate the generalizability of the trained machine learning algorithms, incompressibility of nuclear equation of state and the in-medium nucleon-nucleon cross sections are varied in the UrQMD model to generate the training data. The mean absolute error Δb between the true and the predicted impact parameter is smaller than 0.45 fm if training and testing sets are sampled from the UrQMD model with the same parameter set. However, if training and testing sets are sampled with different parameter sets, Δb would increase to 0.8 fm. The generalizability of the trained machine learning algorithms suggests that these machine learning algorithms can be used reliably to reconstruct the impact parameter in experiment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Reinforcement learning in discrete action space applied to inverse defect design

Abstract Reinforcement learning (RL) algorithms that include Monte Carlo Tree Search (MCTS) have found tremendous success in computer games such as Go, Shiga and Chess. Such learning algorithms have demonstrated super-human capabilities in navigating through an exhaustive discrete action search space. Motivated by their success in computer games, we demonstrate that RL can be applied to inverse materials design problems. We deploy RL for a representative case of the optimal atomic scale inverse design of extended defects via rearrangement of chalcogen (e.g. S) vacancies in 2D transition metal dichalcogenides (e.g. MoS 2 ). These defect rearrangements and their dynamics are important from the perspective of tunable phase transition in 2D materials i.e. 2H (semi-conducting) to 1T (metallic) in MoS 2 . We demonstrate the ability of MCTS interfaced with a reactive molecular dynamics simulator to efficiently sample the defect phase space and perform inverse design—starting from randomly distributed S vacancies, the optimal defect rearrangement of defects corresponds a line defect of S vacancies. We compare MCTS performance with evolutionary optimization i.e. genetic algorithms and show that MCTS converges to a better optimal solution (lower objective) and in fewer evaluations compared to GA. We also comprehensively evaluate and discuss the effect of MCTS hyperparameters on the convergence to solution. Overall, our study demonstrates the effectives of using RL approaches that operate in discrete action space for inverse defect design problems.

42 ENGINEERING↗
DOE OSTI2023

Benchmarking for AI for Science

AI has been instrumental for recent developments in a number of domains of the sciences. With several hundred machine learning (ML) algorithms and models, and numerous AI-specific hardware platforms, a common quest for all scientists working on AI for Science is around the selection of machine learning algorithm(s) to solve their domain-specific scientific problems. A number of different initiatives around AI Benchmarking have been set up and have been useful in understanding the benefits of different ML algorithms for different tasks.However, with the majority of these AI Benchmarking initiatives focusing on the conventional notions of benchmarking, where the focus is purely runtime performance (such as training time or inference time), their suitability for benchmarking different ML algorithms for solving scientific problems has been viewed as a performance problem even though both are hardly the same. To make reasonable, explainable, and justifiable advancements in science using AI, it is critical to focus on the merits of these algorithms in handling different domain science problems. In other words, more emphasis must be given on Benchmarking for AI for Science than AI Benchmarking. The vision of the former is not only to assess the performance of ML algorithms, but also to assess, and understand the benefits and merits of different ML algorithms in handling scientific problems. Benchmarking for AI for Science, instead of pure performance focused AI Benchmarking, has several benefits: (i) it has the potential to offer advances in the sciences, much more rapidly than through pure performance-based AI methods, (ii) it will encourage the community to focus on developing better domain-specific AI techniques, particularly given the provision for being able to benchmark different techniques, and (iii) it will encourage hardware manufacturers to focus on developing science-specific hardware subsystems.

Thiyagalingam, Jeyan↗
DOE OSTI2021

Data-Driven Specification of Earth's Magnetic Field

As our society is increasingly dependent on technologies in space, predicting space weather becomes ever more important. We have come to rely on technologies such as cellphones, GPS, the Internet, and other commercial and military assets. In order to protect these systems a high priority is to develop better understanding of the harmful conditions of space weather encountered in the near-Earth radiation environment which are mostly dictated by the dynamics of energetic charged particles. The main objective of our proposal was to improve the specification and forecast of the particle distribution in the Earth’s inner magnetosphere using data assimilation together with machine learning (ML) algorithms in our ring current-atmosphere interactions model with self-consistent magnetic and electric fields (RAM-SCBE). Specifically, we explored the application of machine learning algorithms to emulate and improve, through infusion of observational data, the magnetic field (SCBE) of our ring current model. Our work advanced towards the characterization of the RAM-SCBE particle flux field and its potentially different simulation scenarios. We explored how the model behaves in a number of simulation scenarios in order to better understand how the model reacts to perturbations in the solar wind. We were able to capture this behavior through the simulation of an ensemble of RAM-SCB model solutions. The ensemble showed the important correlations between the particle fluxes and the magnetic field. We were able to start the training of a neural network (Autoencoder) to identify the dominant features of the magnetic field, and the main correlations (linear and non-linear) between the particle fluxes and the magnetic field. Our next steps consists of training a neural network to capture the time evolution of the dominant features and obtain a consistent surrogate model for the RAM-SCB.

42 ENGINEERING↗
DOE OSTI2025

A cross-dimensional analysis of data-driven short-term load forecasting methods with large-scale smart meter data

Electricity load forecasting is essential to utility operation and power grid stability. A wide spectrum of data-driven methods, ranging from linear regression models to more recent deep learning models have been adopted to forecast electric load over the years. However, there still lacks a holistic evaluation of the applicability of conventional statistical and machine learning based algorithms with respect to different temporal and spatial scopes, computational requirements, and sensitivity of model-tuning. Enabled by a large-scale electricity load profile dataset of over 40,000 residential customers in a utility region, we conducted a cross-dimensional analysis of data-driven load forecasting methods. Three regression-based and seven deep learning algorithms with different model configurations were evaluated in terms of their overall and peak load prediction accuracy, and training burdens, across spatial aggregation levels ranging from the transformer, feeder, substation, to neighborhood. We found, first, the load forecasting accuracy is constrained by a predictability boundary, influenced by the forecasting horizon and spatial aggregation level. Specifically, RandomForest, XGBoost, TFT, TSMixer, and TiDE models achieved less than 10 % prediction error for up to 96-h ahead forecasting for district, substation, and feeder levels, while other models struggle at long-horizon predictions; Second, for winter and summer peak load dates, most models were able to predict the peak demand timing within ± 1 h, but the prediction percentage error varied by models, with TFT and TiDE models being the top performers; Third, models with similar prediction accuracy can differ in training burden by an order of magnitude. Therefore, choosing model configurations that balance prediction performance and computational resource is an important practical consideration for large-scale deployment of the machine learning based load forecasting. The outcome of this study can guide researchers and practitioners to choose the proper load forecasting algorithms based on their problem scope, required accuracy, and available resources. The predictability boundary can serve as a benchmark for electricity load forecasting problems with new algorithms and datasets.

Li, Han↗
DOE OSTI2017

What does fault tolerant Deep Learning need from MPI?

Deep Learning (DL) algorithms have become the {\em de facto} Machine Learning (ML) algorithm for large scale data analysis. DL algorithms are computationally expensive -- even distributed DL implementations which use MPI require days of training (model learning) time on commonly studied datasets. Long running DL applications become susceptible to faults -- requiring development of a fault tolerant system infrastructure, in addition to fault tolerant DL algorithms. This raises an important question: {\em What is needed from MPI for designing fault tolerant DL implementations?} In this paper, we address this problem for permanent faults. We motivate the need for a fault tolerant MPI specification by an in-depth consideration of recent innovations in DL algorithms and their properties, which drive the need for specific fault tolerance features. We present an in-depth discussion on the suitability of different parallelism types (model, data and hybrid); a need (or lack thereof) for check-pointing of any critical data structures; and most importantly, consideration for several fault tolerance proposals (user-level fault mitigation (ULFM), Reinit) in MPI and their applicability to fault tolerant DL implementations. We leverage a distributed memory implementation of Caffe, currently available under the Machine Learning Toolkit for Extreme Scale (MaTEx). We implement our approaches by extending MaTEx-Caffe for using ULFM-based implementation. Our evaluation using the ImageNet dataset and AlexNet neural network topology demonstrates the effectiveness of the proposed fault tolerant DL implementation using OpenMPI based ULFM.

Amatya, Vinay C.↗
DOE OSTI2020

GOOML: Geothermal Operational Optimization with Machine Learning

Geothermal Operational Optimization with Machine Learning (GOOML) is a project focused on maximizing increased availability and capacity from existing industrial-scale geothermal generation assets. The GOOML project will develop a suite of machine learning-based algorithms that analyze historical production datasets and provide predictive setpoints for geothermal field operations. Historical datasets from New Zealand and the US will provide the input to develop digital geothermal system twins which allow prediction of market conditions, maintenance operations and steamfield optimization. The algorithms will identify key parameters within fields and suggest setpoints for components of the system to maintain optimal generation. Set-points can be instructed to follow mass flow restrictions, generation maximization and optimal field/reservoir balance and give field operators a guide by which generation can be optimized. The datasets that will be used to develop GOOML are sourced from operating geothermal fields in New Zealand and the United States with varying degrees of complexity. This will ensure that most geothermal systems can utilize the GOOML tool to assist in optimizing operations. GOOML aims to achieve a step-change in geothermal operations by developing state-of-the-art machine learning algorithms, comprehensive data analytics, and a first-of-its-kind automated, intelligent geothermal system model.

algorithms↗