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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

Adaptive Activation Functions Accelerate Convergence in Deep and Physics-informed Neural Networks

We employ adaptive activation functions for regression in deep and physics-informed neural networks (PINNs) to approximate smooth and discontinuous functions as well as solutions of linear and nonlinear partial differential equations. In particular, we solve the nonlinear Klein-Gordon equation, which has smooth solutions, the nonlinear Burgers equation, which can admit high gradient solutions, and the Helmholtz equation. We introduce a scalable hyper-parameter in the activation function, which can be optimized to achieve best performance of the network as it changes dynamically the topology of the loss function involved in the optimization process. The adaptive activation function has better learning capabilities than the traditional one (fixed activation) as it improves greatly the convergence rate, especially at early training, as well as the solution accuracy. To better understand the learning process, we plot the neural network solution in the frequency domain to examine how the network captures successively different frequency bands present in the solution. We consider both forward problems, where the approximate solutions are obtained, as well as inverse problems, where parameters involved in the governing equation are identified. Our simulation results show that the proposed method is a very simple and effective approach to increase the efficiency, robustness and accuracy of the neural network approximation of nonlinear functions as well as solutions of partial differential equations, especially for forward problems. We theoretically prove that in the proposed method, gradient descent algorithms are not attracted to suboptimal critical points or local minima.

machine leaning, Bad minima, Inverse problems, Phy↗

A machine learning method of modern urban building energy modeling: A case study of Chicago

Urban-scale building energy modeling is vital for urban planning. However, it can be challenging to assimilate reliable non-geometry building data for urban-scale modeling without extensive investment. Here, this study introduces a novel approach to developing modern urban-scale building energy stock data using geographic information systems and machine learning algorithms without necessarily requiring pre-supplied non-geometric metadata. The proposed framework integrates building footprint and height data to estimate gross floor areas, and matches each building to a pool of candidate records from ComStock or ResStock—filtered to the same county and ranked by geometric similarity—demonstrate a proof-of-concept case study in Chicago for predicting energy use intensity (EUI) using scalable datasets. The model achieved a mean bias error (MBE) of 0.08 kWh/m² and root mean square error (RMSE) of 14.84 kWh/m² under full metadata input for EUI prediction. With only location inputs, the model captured 69.2 % of EUI within predicted ranges. These results demonstrate the model’s potential to support early-stage urban planning, identify candidates for energy-efficient retrofits. By removing the dependency on detailed pre-surveys or extensive building metadata, the approach overcomes a key barrier in traditional urban-scale building energy modeling, illustrating a pathway toward broader and more cost-effective application, though further multi-city validation and improved treatment of pre-1925 buildings are needed.

Energy Use Intensity↗

Hydrological Perspectives on Integrated, Coordinated, Open, Networked (ICON) Science

Hydrologic sciences depend on data monitoring, analyses, and simulations of hydrologic processes to ensure safe, sufficient, and equal water distribution. These hydrologic data come from but are not limited to primary (lab, plot, and field experiments) and secondary sources (remote sensing, UAVs, hydrologic models) that typically follow FAIR Principles (Findable, Accessible, Interoperable, and Reusable: (go-fair.org)). Easy availability of FAIR data has become possible because the hydrology-oriented organizations have pushed the community to increase coordination of the protocols for generating data and sharing model platforms. In addition, networking at all levels has emerged with an invigorated effort to activate community science efforts that complement conventional data collection methods. However, it has become difficult to decipher various complex hydrologic processes with increasing data. Machine learning, a branch of artificial intelligence, provide more accurate and faster alternatives to better understand different hydrological processes. The Integrated, Coordinated, Open, Networked (ICON) framework provides a pathway for water users to include and respect diversity, equity, and inclusivity. In addition, ICONs support the integration of peoples with historically marginalized identities into this professional discipline of water sciences. This article comprises three independent commentaries about the state of ICON principles in hydrology and discusses the opportunities and challenges of adopting them.

(ICON) principles to address↗

Rapid and flexible segmentation of electron microscopy data using few-shot machine learning

Abstract Automatic segmentation of key microstructural features in atomic-scale electron microscope images is critical to improved understanding of structure–property relationships in many important materials and chemical systems. However, the present paradigm involves time-intensive manual analysis that is inherently biased, error-prone, and unable to accommodate the large volumes of data produced by modern instrumentation. While more automated approaches have been proposed, many are not robust to a high variety of data, and do not generalize well to diverse microstructural features and material systems. Here, we present a flexible, semi-supervised few-shot machine learning approach for segmentation of scanning transmission electron microscopy images of three oxide material systems: (1) epitaxial heterostructures of SrTiO 3 /Ge, (2) La 0.8 Sr 0.2 FeO 3 thin films, and (3) MoO 3 nanoparticles. We demonstrate that the few-shot learning method is more robust against noise, more reconfigurable, and requires less data than conventional image analysis methods. This approach can enable rapid image classification and microstructural feature mapping needed for emerging high-throughput characterization and autonomous microscope platforms.

36 MATERIALS SCIENCE↗

Deep Learning for Semantic Segmentation of Defects in Advanced STEM Images of Steels

Crystalline materials exhibit long-range ordered lattice unit, within which resides nonperiodic structural features called defects. These crystallographic defects play a vital role in determining the physical and mechanical properties of a wide range of material systems. While computer vision has demonstrated success in recognizing feature patterns in images with well defined contrast, automated identification of nanometer scale crystallographic defects in electron micrographs governed by complex contrast mechanism is still a challenging task. Here, building upon an advanced defect imaging mode that offers high feature clarity, we introduce DefectSegNet - a new convolutional neural network (CNN) architecture that performs semantic segmentation of three common crystallographic defects in structural alloys: dislocation lines, precipitates and voids. Results from supervised training of a small set of high-quality defect images of steels show high pixel-wise accuracy across all three types of defects: 91.60 ± 1.77% on dislocations, 93.39 ± 1.00% on precipitates, and 98.85 ± 0.56% on voids. We discuss the sources of uncertainties in CNN prediction, and the training data in terms of feature density, representation and homogeneity and their effects on deep learning performance. Further defect quantification using DefectSegNet prediction outperforms human expert average, presenting a promising new workflow for fast and statistically meaningful quantification of materials defects.

36 MATERIALS SCIENCE↗

Semi-Supervised Disaggregation of Load Profiles at Transmission Buses with Significant Behind-the-Meter Solar Generations

It is of imperative interests for regional transmission organizations (RTOs) to effectively extract daily load profiles at transmission buses, which remains a gap in existing technology paradigm. This digest proposes an explicit yet efficient linear estimator, to disaggregate metered load profiles at buses with significant behind-the-meter (BTM) solar generations in a data driven manner. The proposed estimator is based on utility zonal load profiles and proxy solar irradiance profiles, which in reality is the aggregated waveform at each transmission bus and equivalent to the mix of summed load profiles minus actual BTM solar generation. To overcome technical challenges in the lack of “ground truth” and validate the performance of supervised learning algorithms, we propose semi-supervised mechanisms with parameter tuning, and leverage the unique characteristics of zero-crossing points in BTM solar peaking behaviors.

machine leaning, behind-the-meter, power grid anal↗

Sensor and Actuator Attacks on Hierarchical Control Systems with Domain-Aware Operator Theory

Cyber-Physical Systems (CPSs) provide opportunities for cyber attacks to have physical impacts. Advanced Persistent Threats (APTs) are a subclass of cyber threats that act stealthily to avoid detection and enable long-term attacks. Here, we build on our past work in APT modelling to combine deception-based sensor bias attacks and direct actuator manipulations in attacks against a hierarchical control system. That past work used the Koopman operator to develop a data-driven, domain-aware, optimization-based attacker model. Using an expansion of this model, we compute several different attacks, including multiple simultaneous attacks, against a high-fidelity commercial building emulator and compare the impacts of those attacks to each other. One next step of interest is to construct a defender system, built on the same modelling approach, designed to detect and mitigate such attacks.

koopman operator, Cyber-Physical Security, machine↗

Leveraging Structured Biological Knowledge for Counterfactual Inference: A Case Study of Viral Pathogenesis

Counterfactual inference is a useful tool for comparing outcomes of interventions on complex systems. It requires us to represent the system in form of a structural causal model, complete with a causal diagram, probabilistic assumptions on exogenous variables, and functional assignments. Specifying such models can be extremely difficult in practice. The process requires substantial domain expertise, and does not scale easily to large systems, multiple systems, or novel system modifications. At the same time, many application domains, such as molecular biology, are rich in structured causal knowledge that is qualitative in nature. This manuscript proposes a general approach for querying a causal knowledge graph with a causal question and converting the qualitative result into a quantitative structural causal model that can learn from data to answer the question. Here, we demonstrate the feasibility, accuracy and versatility of this approach using two case studies in systems biology. The first demonstrates the appropriateness of the underlying assumptions and the accuracy of the results. The second demonstrates the versatility of the approach by querying a knowledge base for the molecular determinants of a severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)-induced cytokine storm and performing counterfactual inference to predict the causal effect of medical countermeasures for severely ill COVID-19 patients.

60 APPLIED LIFE SCIENCES↗

Machine Learning for Synchrophasor Analysis

The report presents results from the development of a cloud-based, Big Data analysis framework for power systems. The computational pipeline uses the Apache Spark framework running in an OpenStack cloud infrastructure. A real-world phasor measurement unit (PMU) dataset has been used to carry out the analysis. Several Machine Learning (ML) methods have been developed and implemented for event and anomaly detection and classification. Actual examples of power system events detection and analysis using synchrophasor data are presented. It has been shown that applications of the cloud-based computing environment and the Apache Spark framework enable a significant increase in the computational efficiency of large-scale PMU data analysis.

20 FOSSIL-FUELED POWER PLANTS↗

Neural Ordinary Differential Equations for Nonlinear System Identification

Neural ordinary differential equations (NODE) have been recently proposed as a promising approach for nonlinear system identification tasks. In this work, we systematically compare their predictive performance with current state-of-the-art nonlinear and classical linear methods. In particular, we present a quantitative study comparing NODE's performance against neural state-space models and classical linear system identification methods and evaluate their inference speed and prediction performance on open-loop errors across eight different dynamical systems. The experiments show that NODEs can consistently improve the prediction accuracy by order of magnitude compared to benchmark methods. Besides improved accuracy, we also observed that NODEs are less sensitive to hyperparameters compared to neural state-space models by paying the cost of increased computation at the inference time.

machine leaning, system identification, physics in↗

Ceramic Capacitor Grain Size Analysis Using Electron Backscatter Diffraction (EBSD)

The overall scope of this NESC study was to identify (or develop) a tool, methodology, or process that can inspect a ceramic capacitor and consistently return repeatable grain size distribution results. It is important to note that the development of a machine learning technique was considered as an option for this study, but only if an existing automated tool was not available. This report explains why the Electron Backscatter Diffraction analysis method for grain structure and size distribution was deemed a suitable candidate for this work.

Electron Backscatter Diffraction↗

Extraction of mechanical properties of materials through deep learning from instrumented indentation

Instrumented indentation has been developed and widely utilized as one of the most versatile and practical means of extracting mechanical properties of materials. This method is particularly desirable for those applications where it is difficult to experimentally determine the mechanical properties using stress–strain data obtained from coupon specimens. Such applications include material processing and manufacturing of small and large engineering components and structures involving the following: three dimensional (3D) printing, thin-film and multilayered structures, and integrated manufacturing of materials for coupled mechanical and functional properties. Here, we utilize the latest developments in neural networks, including a multifidelity approach whereby deep-learning algorithms are trained to extract elastoplastic properties of metals an d alloys from instrumented indentation results using multiple datasets for desired levels of improved accuracy. We have established algorithms for solving inverse problems by recourse to single, dual, and multiple indentation and demonstrate that these algorithms significantly outperform traditional brute force computations and function-fitting methods. Moreover, we present several multifidelity approaches specifically for solving the inverse indentation problem which 1) significantly reduce the number of high-fidelity datasets required to achieve a given level of accuracy, 2) utilize known physical and scaling laws to improve training efficiency and accuracy, and 3) integrate simulation and experimental data for training disparate datasets to learn and minimize systematic errors. The predictive capabilities and advantages of these multifidelity methods have been assessed by direct comparisons with experimental results for indentation for different commercial alloys, including two wrought aluminum alloys and several 3D printed titanium alloys.

3D printed materials, stress-strain behavior, mult↗

A Decision Support Framework for Grid-Aware Electric Bus Charge Scheduling

While there are many advantages to electric public transit vehicles, they also pose new challenges for fleet operators. One key challenge is defining a charge scheduling policy that minimizes operating costs and power grid disruptions while maintaining schedule adherence. An uncoordinated policy could result in some buses running out of charge before completing their trip, while a grid agnostic policy might incur higher energy costs or cause an adverse impact on the grid’s distribution system. We present a grid aware decision-theoretic framework for electric bus charge scheduling that accounts for energy price, grid load, and bus status. The framework connects environmental models for traffic (SUMO) and the electric grid (GridLAB-D) to a planner, which evaluates bus charging decisions with regard to their long-term effect on grid reliability and cost. The framework has been evaluated on a simulation of Richland, WA’s bus and grid network, and compared to greedy methods.

EV, machine leaning, EV-Grid, Transportation, Grid↗

Effect of Blown Powder Directed Energy Deposition Angle On Overspray Contamination

Abstract Blown powder directed energy deposition (DED) hybrid machine tools are particularly beneficial when the net shape of a component is to be manufactured in an additive and machined interleaved fashion. This investigation seeks to analyze the effect of the additive head lean angle relative to the part on blown powder DED surface contamination due to overspray. These hybrid DED platforms are commonly installed on multi-axis machining systems where the lean of the deposition head relative to the component surface can be controlled by tilting the component. The blown powder DED process has a 10–50% lower catchment efficiency as compared to wire fed DED systems. This excess powder is still fed towards the deposition location where the particles are heated by the laser and rebound off the melt pool. Some of these heated particles impact the previously machined thin-wall surface. While the deposition process and tool path planning process has been evaluated, the effect of the overspray due to lean angle of the deposition head on the previously thin-wall machined surface is not yet fully understood. This investigation found that minimum lean angle coincides with minimal overspray effect with nearly no contamination. If a lean angle is required, the maximum lean angle possible should be implemented for the smallest effected overspray area on the machined surface which was found to decrease the affect zone by half compared to intermediate lean angles. A diameter divergence was also noticed as the deposition angle was increased. In this study, a thorough analysis of the surface and geometric effects when depositing thin-walled components at varying angles is completed. It has been shown that part quality can be significantly affected by lean angle and thus must be incorporated as an additional design consideration in the manufacturing process.

Heinrich, Lauren↗

Predictive Modeling of NOx Emissions from Lean Direct Injection of Hydrogen and Hydrogen/Natural Gas Blends Using Flame Imaging and Machine Learning

This research paper explores the use of machine learning to relate images of flame structure and luminosity to measured NOx emissions. Images of reactions produced by 16 aero-engine derived injectors for a ground-based turbine operated on a range of fuel compositions, air pressure drops, preheat temperatures and adiabatic flame temperatures were captured and postprocessed. The experimental investigations were conducted under atmospheric conditions, capturing CO, NO and NOx emissions data and OH* chemiluminescence images from 27 test conditions. The injector geometry and test conditions were based on a statistically designed test plan. These results were first analyzed using the traditional analysis approach of analysis of variance (ANOVA). The statistically based test plan yielded 432 data points, leading to a correlation for NOx emissions as a function of injector geometry, test conditions and imaging responses, with 70.2% accuracy. As an alternative approach to predicting emissions using imaging diagnostics as well as injector geometry and test conditions, a random forest machine learning algorithm was also applied to the data and was able to achieve an accuracy of 82.6%. This study offers insights into the factors influencing emissions in ground-based turbines while emphasizing the potential of machine learning algorithms in constructing predictive models for complex systems.

08 HYDROGEN↗

Unit cell manufacture by blown powder directed energy deposition

Lattice structures manufactured by additive manufacturing show unique promise to alter existing components to improve the thermo-mechanical properties of the base structure. Here, in the present study, the manufacture of a self-supporting lattice structure by blown powder directed energy deposition was explored. Converging struts were manufactured using multiple lean angles to facilitate the self-supporting structure and to avoid machine-part collisions. The struts showed near uniform straightness relative to a fitted line with a maximum deviation of 1mm at a lean angle of 10°. Micro–hardness and porosity evaluation results showed no significant variation along the struts.

Additive manufacturing↗

EdgeAI: Machine learning via direct attached accelerator for streaming data processing at high shot rate x-ray free-electron lasers

We present a case for low batch-size inference with the potential for adaptive training of a lean encoder model. We do so in the context of a paradigmatic example of machine learning as applied in data acquisition at high data velocity scientific user facilities such as the Linac Coherent Light Source-II x-ray Free-Electron Laser. We discuss how a low-latency inference model operating at the data acquisition edge can capitalize on the naturally stochastic nature of such sources. We simulate the method of attosecond angular streaking to produce representative results whereby simulated input data reproduce high-resolution ground truth probability distributions. By minimizing the mean-squared error between the decoded output of the latent representation and the ground truth distributions, we ensure that the encoding layers and resulting latent representation maintains full fidelity for any downstream task, be it classification or regression. We present throughput results for data-parallel inference of various batch sizes, some with throughput exceeding 100 k images per second. We also show in situ training below 10 s per epoch for the full encoder–decoder model as would be relevant for streaming and adaptive real-time data production at our nation’s scientific light sources.

97 MATHEMATICS AND COMPUTING↗