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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Smart Inverter Twin Model for Anomaly Detection

Smart inverters connected to a communication network are vulnerable to various anomalies in the form of cyberattacks. In this paper, a self-security approach is implemented using the digital twin concept for smart inverters. The digital twin is formed using the inverter’s dynamic model. Then, the incoming setpoints are autonomously examined using the digital twin, and only the safe setpoints are engaged to the inverter’s local controller. This paper demonstrates the details of the self-security algorithm and how the inverter’s digital twin is formed. In particular, the stable and unstable operation region is experimentally verified by changing the power setpoints engaged to the local controller, using a laboratory setup including a three-phase 1.5-kVA SiC-MOSFET inverter and a 12-kW NHR 9410 regenerative power grid emulator. The results demonstrate that the digital twin model can potentially protect inverters from abnormal operation by examining the incoming commands (new setpoints) using the inverter’s digital twin before engaging the setpoints to the local controller.

Hossen, Tareq↗
DOE OSTI2022

Differentiable Predictions for Large Scale Structure with SHAMNet

In simulation-based models of the galaxy-halo connection, theoretical predictions for galaxy clustering and lensing are typically made based on Monte Carlo realizations of a mock universe. In this paper, we use Subhalo Abundance Matching (SHAM) as a toy model to introduce an alternative to stochastic predictions based on mock population, demonstrating how to make simulation-based predictions for clustering and lensing that are both exact and differentiable with respect to the parameters of the model. Conventional implementations of SHAM are based on iterative algorithms such as Richardson-Lucy deconvolution; here we use the JAX library for automatic differentiation to train SHAMNet, a neural network that accurately approximates the stellar-to-halo mass relation (SMHM) defined by abundance matching. In our approach to making differentiable predictions of large-scale structure, we map parameterized PDFs onto each simulated halo, and calculate gradients of summary statistics of the galaxy distribution by using autodiff to propagate the gradients of the SMHM through the statistical estimators used to measure one- and two-point functions. Our techniques are quite general, and we conclude with an overview of how they can be applied in tandem with more complex, higher-dimensional models, creating the capability to make differentiable predictions for the multi-wavelength universe of galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Dendritic Computing with Multigate Ferroelectric Field-Effect Transistors

Although inspired by neuronal systems in the brain, artificial neural networks generally employ point-neurons, which offer computational complexity far less than that of their biological counterparts. Neurons have dendritic arbors that connect to different sets of synapses and offer local nonlinear accumulation – playing a pivotal role in processing and learning. Inspired by this, we propose a novel neuron design based on a multigate ferroelectric field-effect transistor that mimics dendrites. It leverages ferroelectric nonlinearity for local computations within dendritic branches while utilizing the transistor action to generate the neuronal output. The branched architecture enables smaller crossbar arrays in hardware integration, improving efficiency. Using an experimentally calibrated device-circuit-algorithm cosimulation framework, we demonstrate that networks incorporating our dendritic neurons achieve superior performance compared to much larger networks without dendrites (∼ 17× fewer trainable weight parameters). These findings suggest that dendritic hardware can significantly improve computational efficiency and learning capacity of neuromorphic systems optimized for edge applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Qubit coupled cluster singles and doubles variational quantum eigensolver ansatz for electronic structure calculations

Variational quantum eigensolver (VQE) for electronic structure calculations is believed to be one major potential application of near term quantum computing. Among all proposed VQE algorithms, the unitary coupled cluster singles and doubles excitations (UCCSD) VQE ansatz has achieved high accuracy and received a lot of research interest. However, the UCCSD VQE based on fermionic excitations needs extra terms for the parity when using Jordan–Wigner transformation. Here we introduce a new VQE ansatz based on the particle preserving exchange gate to achieve qubit excitations. The proposed VQE ansatz has gate complexity up-bounded to O ( n 4 ) for all-to-all connectivity where n is the number of qubits of the Hamiltonian. Numerical results of simple molecular systems such as BeH 2 , H 2 O, N 2 , H 4 and H 6 using the proposed VQE ansatz gives very accurate results within errors about 10 -3 Hartree.

Physics↗
DOE OSTI2020

Success and breakdown of the T-matrix approximation for phonon-disorder scattering

Here, we examine the validity of the widely used T-matrix approximation for treating phonon-disorder scattering by implementing an unfolding algorithm that allows simulation of disorder up to tens of millions of atoms. The T-matrix approximation breaks down for low-energy flexure phonons that play an important role in thermal transport in two-dimensional materials. Furthermore, insights are developed into the success of the T-matrix approximation in describing maximally mass disordered systems. To achieve this, the phonon unfolding formalism is generalized to describe mass disorder and strongly nonperturbative features of the spectrum are connected to the Boltzmann quasiparticle picture.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Mass Detection for Heavy-Duty Vehicles using Gaussian Belief Propagation

Predicting vehicle mass is critical to accurately estimate energy use and emissions of commercial trucks. However, data from vehicle telematics is often not at sufficient temporal resolution or accuracy for use in model-based detection methods. In this work, a new statistical mass prediction technique is described for heavy-duty vehicles that incorporates the use Gaussian Belief Propagation (GBP) for probabilistic inference. Similar to Bayesian inference models, the GBP model typically requires less labeled training data than other contemporary machine learning techniques. First, a factor graph is constructed, and a set of Gaussian belief nodes with associated means and variances are fitted to the training data. To better handle noisy input data, the GBP mass prediction model utilizes a k-nearest factors (kNF) algorithm for probabilistic inference on unseen testing data. The proposed method is compared with a classical weighted k-nearest neighbors (kNN) regressor. This statistical kNF-GBP model works even with low-quantity, low-quality initial training data, while being capable of realtime mass estimation. Unlike the kNN regressor, the GBP model produces a measure of uncertainty with its predictions. The proposed method is validated using curve-sampled driving data collected from multiple cloud-connected Class 8 regional haul diesel trucks. Both the kNN regressor and the kNF-GBP mass prediction model were able to predict payload mass with coefficients of determination above 0.97 with minimal data preprocessing.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

A Comparison between Invariant and Equivariant Classical and Quantum Graph Neural Networks

Machine learning algorithms are heavily relied on to understand the vast amounts of data from high-energy particle collisions at the CERN Large Hadron Collider (LHC). The data from such collision events can naturally be represented with graph structures. Therefore, deep geometric methods, such as graph neural networks (GNNs), have been leveraged for various data analysis tasks in high-energy physics. One typical task is jet tagging, where jets are viewed as point clouds with distinct features and edge connections between their constituent particles. The increasing size and complexity of the LHC particle datasets, as well as the computational models used for their analysis, have greatly motivated the development of alternative fast and efficient computational paradigms such as quantum computation. In addition, to enhance the validity and robustness of deep networks, we can leverage the fundamental symmetries present in the data through the use of invariant inputs and equivariant layers. In this paper, we provide a fair and comprehensive comparison of classical graph neural networks (GNNs) and equivariant graph neural networks (EGNNs) and their quantum counterparts: quantum graph neural networks (QGNNs) and equivariant quantum graph neural networks (EQGNN). The four architectures were benchmarked on a binary classification task to classify the parton-level particle initiating the jet. Based on their area under the curve (AUC) scores, the quantum networks were found to outperform the classical networks. However, seeing the computational advantage of quantum networks in practice may have to wait for the further development of quantum technology and its associated application programming interfaces (APIs).

Forestano, Roy T. (ORCID:0000000203552076)↗
NASA NTRS1997

3-D Deformable Grid Electomagnetic PIC for Parallel Computers

We have developed a three-dimensional non-orthogonal grid electromagnetic PIC code for parallel supercomputers. The numerical formulation is based on hexahedral cells which are logically connected cubic cells but distorted to body-fit complex geometries in physical space. An outstanding area of research is to improve the accuracy of the electromagnetic field solve on distorted meshes.

3D deformable non-orthogonal grid code PIC codes p↗
DOE OSTI2022

Quantum Markov chain Monte Carlo with digital dissipative dynamics on quantum computers

Modeling the dynamics of a quantum system connected to the environment is critical for advancing our understanding of complex quantum processes, as most quantum processes in nature are affected by an environment. Modeling a macroscopic environment on a quantum simulator may be achieved by coupling independent ancilla qubits that facilitate energy exchange in an appropriate manner with the system and mimic an environment. This approach requires a large, and possibly exponential number of ancillary degrees of freedom which is impractical. In contrast, we develop a digital quantum algorithm that simulates interaction with an environment using a small number of ancilla qubits. By combining periodic modulation of the ancilla energies, or spectral combing, with periodic reset operations, we are able to mimic interaction with a large environment and generate thermal states of interacting many-body systems. We evaluate the algorithm by simulating preparation of thermal states of the transverse Ising model. Our algorithm can also be viewed as a quantum Markov chain Monte Carlo process that allows sampling of the Gibbs distribution of a multivariate model. To illustrate this we evaluate the accuracy of sampling Gibbs distributions of simple probabilistic graphical models using the algorithm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1984

Large space structures ground and flight progress

Unprecedented challenges arise in connection with the design and certification of space systems which are too large to be transported into orbit fully assembled. Special situations arising in the case of such systems make it necessary to rely much more on analysis than in past programs. The present investigation is concerned with the status of some research activities oriented primarily to the improvement of analysis capabilities through coordinated ground and flight testing. Aspects of system identification are explored, taking into account an eigensystem realization algorithm, and the Hoop-Column Antenna concept. Attention is also given to a suitable method for analyzing the Hoop-Column antenna structure, a deployment analysis, certification issues for large space structures, a generic space station model, and the use of actuators.

Pinson, L. D.↗
DOE OSTI2021

Companion Assisted Software Based Remote Attestation in SCADA Networks

Critical infrastructure such as power generation and water distribution systems have become a priority target in cyber warfare because of their recent computerization and introduction to the internet. As a result, Supervisory Control and Data Acquisition (SCADA) system security has become a hot topic in academic and industrial research. Among these topics, Remote Attestation is a security method intended to detect the presence of fileless malware in remote devices as they continue to operate. This allows for the detection of malware in the absence of long-term storage artifacts before symptoms of compromise begin to appear. In general, a trusted device (the verifier) makes a request for evidence of innocence from the untrusted device (the prover). In software-based schemes, the verifier can then measure the delay between its request and the prover’s response. If this delay is greater than the known computational time of the evidence gathering algorithm performed by the prover, then evidence may have been forged. Multi-hop networks often introduce too much network jitter to allow accurate measurement of prover response time, which limits the effectiveness of software based Remote Attestation in a real-world setting. In this work, we introduce a companion device that the verifier can trust to perform a subset of attestation, thereby removing any network jitter. This device is a Field Programmable Gate Array (FPGA) that is physically connected to the prover. We provide a communication protocol between the verifier, prover, and companion. To evaluate our scheme, we simulate it in a common SCADA network environment under normal and heavy traffic loads. Our simulations are performed in the discrete event network simulator NS-3, and we perform statistical analysis over our results to show that our scheme allows for tight timing constraints to be placed on the prover such that the verifier can more easily determine the validity of the evidence that it receives.

Johnson, William A.↗
DOE OSTI2022

End-to-end learning of multiple sequence alignments with differentiable Smith–Waterman

Abstract Motivation Multiple sequence alignments (MSAs) of homologous sequences contain information on structural and functional constraints and their evolutionary histories. Despite their importance for many downstream tasks, such as structure prediction, MSA generation is often treated as a separate pre-processing step, without any guidance from the application it will be used for. Results Here, we implement a smooth and differentiable version of the Smith–Waterman pairwise alignment algorithm that enables jointly learning an MSA and a downstream machine learning system in an end-to-end fashion. To demonstrate its utility, we introduce SMURF (Smooth Markov Unaligned Random Field), a new method that jointly learns an alignment and the parameters of a Markov Random Field for unsupervised contact prediction. We find that SMURF learns MSAs that mildly improve contact prediction on a diverse set of protein and RNA families. As a proof of concept, we demonstrate that by connecting our differentiable alignment module to AlphaFold2 and maximizing predicted confidence, we can learn MSAs that improve structure predictions over the initial MSAs. Interestingly, the alignments that improve AlphaFold predictions are self-inconsistent and can be viewed as adversarial. This work highlights the potential of differentiable dynamic programming to improve neural network pipelines that rely on an alignment and the potential dangers of optimizing predictions of protein sequences with methods that are not fully understood. Availability and implementation Our code and examples are available at: https://github.com/spetti/SMURF. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Pairwise connected tensor network representation of path integrals

It has been recently shown how the tensorial nature of real-time path integrals (PIs) involving the Feynman-Vernon influence functional can be utilized with matrix product states, taking advantage of the finite length of the bath-induced memory. Tensor networks (TNs) promise to provide a unified language to express the structure of a PI. A generalized TN specifically incorporating the pairwise interaction structure of the influence functional and its invariance with respect to the average forward-backward position or the sojourn value in the form of the blip representation is derived and implemented. This pairwise connected TNPI (PC-TNPI) is illustrated through applications to typical spin-boson problems and explorations of the differences caused by the exact form of the spectral density. The storage and performance scalings are reported, showing the compactness of the representation and the efficiency of the contraction process. Finally, taking advantage of the compressed representation, the viability of using PC-TNPI for simulating multistate problems is demonstrated. The PC-TNPI structure can be shown to yield other TN algorithms currently in use. Consequently, it should be possible to use it as a starting point for deriving other optimized procedures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Preparation of excited states for nuclear dynamics on a quantum computer

We study two different methods to prepare excited states on a quantum computer, a key initial step to study dynamics within linear response theory. The first method uses unitary evolution for a short time T = O(√1 - F) to approximate the action of an excitation operator Ô with fidelity F and success probability P ≈ 1 – F. The second method probabilistically applies the excitation operator using the Linear Combination of Unitaries (LCU) algorithm. We benchmark these techniques on emulated and real quantum devices, using a toy model for thermal neutron-proton capture. Despite its larger memory footprint, the LCU-based method is efficient even on current generation noisy devices and can be implemented at a lower gate cost than a naive analysis would suggest. Here, these findings show that quantum techniques designed to achieve good asymptotic scaling on fault tolerant quantum devices might also provide practical benefits on devices with limited connectivity and gate fidelity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1993

Improving the reconstruction of the velocity potential and primordial density fluctuations by choice of smoothing windows

Recently considerable attention has been focused on improving algorithms for restoring primordial density fluctuations in the universe or investigating large-scale velocity fields by going to higher order approximations relating nonlinear states to their initial conditions. An alternative approach is to investigate the use of alternative smoothing windows within the context of first-order approximations. I present evidence that the universally used Gaussian smoothing window is far from optimal. A sharp truncation P(k) = 0 for k greater than k(c) leads to a much more direct connection to initial conditions for either 'Gaussianization' methods or use of the Zel'dovich approximation, as discussed in the text.

Melott, Adrian L.↗
DOE OSTI2026

Automated Classification of Vehicle Movements at Signalized Intersections Using Vehicle Trajectories

Accurate vehicle movement classification through signalized intersections is of paramount importance to the analysis of intersection performance and the optimization of traffic control strategies. Conventional techniques for tracking vehicle turning movements depend on infrastructure-based strategies like human counts, loop detectors, and video analytics, all of which are costly, prone to errors, and spatially constrained. High-frequency trajectory data can be utilized to determine vehicle movement patterns in a scalable and infrastructure-independent method due to the adoption of connected vehicles (CVs). In recent years, several studies have utilized connected vehicle data to generate performance measures. Most of the trajectory-based performance measures approaches, however, require map matching-i.e., extracting geospatial references from maps to identify the movements that individual vehicles make at a signalized intersection. These approaches are often time-consuming and hinder scalability since geographic features need to be provided for an analysis to be conducted. Map matching methods are prone to errors as different map versions change these geographic features. This research presents a novel automatic classification pipeline that uses CV trajectory data to classify vehicle movements at signalized crossings, specifically pass-through left-turn and right-turn maneuvers. The process starts by filtering trips that cross a spatial bounding box that has been defined at the target intersection. Approach and departure headings for each trajectory crossing the boundary are computed and are clustered together to identify dominant movements. The proposed algorithm is used to classify the movement of vehicles at 10 intersections in the state of California, and the results indicate that the algorithm can classify movements at these intersections with varying traffic volumes and road network configurations, all in a map-less framework with no need for conflation of vehicle trajectories to a digital base map.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Robust cooperative control strategy for a platoon of connected and autonomous vehicles against sensor errors and control errors simultaneously in a real-world driving environment

In a real-world driving environment, a platoon of connected and autonomous vehicles (CAVs) is subject to many internal and external disturbances, resulting in uncertain vehicle dynamics. In general, the disturbances can be categorized into two types: disturbances due to vehicle sensor errors (e.g., GPS error) and disturbances due to vehicle control errors (e.g., actuator delay). In the literature, many control strategies have been proposed to improve the robustness of the CAV platoon against uncertain vehicle dynamics induced by these disturbances. However, most of these strategies only consider one type of disturbance and cannot tackle both types of disturbances simultaneously. Furthermore, they are designed to maximize the benefits of each vehicle in the platoon independently, which can deteriorate the performance of the platoon. Here, to address these problems, this study proposes a robust cooperative control (RCC) strategy to maneuver the vehicles in the platoon cooperatively to counteract the impacts of both types of disturbances. The RCC strategy is developed based on a minimax problem, where the maximization subproblem seeks to find the worst inputs for the uncertainty terms in the vehicle dynamics equation to minimize the platoon performance, while the minimization subproblem seeks to find the optimal control decisions for all subsequent vehicles to maximize the platoon performance in the worst case. To solve the minimax problem, this study proposes a globally convergent solution algorithm. It can solve the minimax problem very efficiently to enable real time deployment of the RCC strategy. Numerical application indicates that compared to the existing methods, the RCC strategy can dramatically improve the robustness of the CAV platoon against the uncertain vehicle dynamics induced by both vehicle state detection errors and vehicle control errors. Therefore, it can maneuver the CAV platoon safely and efficiently in a real-world driving environment.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS2018

Connecting Satellite-Based Precipitation Estimates to Users

Beginning in 1997, the Merged Precipitation Group at NASA Goddard has distributed gridded global precipitation products built by combining satellite and surface gauge data. This started with the Global Precipitation Climatology Project (GPCP), then the Tropical Rainfall Measuring Mission (TRMM) Multi-satellite Precipitation Analysis (TMPA), and recently the Integrated Multi-satellitE Retrievals for the Global Precipitation Measurement (GPM) mission (IMERG). This 20+-year (and on-going) activity has yielded an important set of insights and lessons learned for making state-of-the-art precipitation data accessible to the diverse communities of users. Merged-data products critically depend on the input sensors and the retrieval algorithms providing accurate, reliable estimates, but it is also important to provide ancillary information that helps users determine suitability for their application. We typically provide fields of estimated random error, and recently reintroduced the quality index concept at user request. Also at user request we have added a (diagnostic) field of estimated precipitation phase. Over time, increasingly more ancillary fields have been introduced for intermediate products that give expert users insight into the detailed performance of the combination algorithm, such as individual merged microwave and microwave-calibrated infrared estimates, the contributing microwave sensor types, and the relative influence of the infrared estimate.

Huffman, George J.↗