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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Neural architecture search via similarity adaptive guidance

Evolutionary neural network architecture search (ENAS) has attracted the attention of many experts due to its global optimization capabilities to automatically search for convolutional neural network architectures based on the target task. The current search space for ENAS is not to design a fully structured network, but to search for smaller cell architectures to reduce search costs. However, blind search strategies do not effectively utilize the potential experience of the population. In order to utilize the potential experience learned by the current population to guide the evolutionary search of the population, we propose a similarity guided neural network architecture search algorithm based on cell architecture, which utilizes the similarity between pairwise architectures in the population as empirical knowledge learned by the population. Our proposed algorithm provides a novel method for calculating architecture similarity, which calculates architecture similarity separately from the cell and macro-structure. Then we decouple the connections and operations in the cell and calculate connection and operation similarity separately. In addition, we propose adaptive similarity selection and binary tournament selection strategies to enhance the algorithm’s global and local search capabilities and effectively explore the search space. Finally, we design an improved single-point crossover operator to enhance the local search ability of the evolutionary operator. The experimental results show that SAGNAS is a competitive algorithm that achieves 97.44% and 81.60% in CIFAR10 and CIFAR100 with only 1.9 GPU-days spent.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Predictive Skill of Deep Learning Models Trained on Limited Sequence Data

In this report we investigate the utility of one-dimensional convolutional neural network (CNN) models in epidemiological forecasting. Deep learning models, especially variants of recurrent neural networks (RNNs) have been studied for influenza forecasting, and have achieved higher forecasting skill compared to conventional models such as ARIMA models. In this study, we adapt two neural networks that employ one-dimensional temporal convolutional layers as a primary building block temporal convolutional networks and simple neural attentive meta-learner for epidemiological forecasting and test them with influenza data from the US collected over 2010-2019. We find that epidemiological forecasting with CNNs is feasible, and their forecasting skill is comparable to, and at times, superior to, RNNs. Thus CNNs and RNNs bring the power of nonlinear transformations to purely data-driven epidemiological models, a capability that heretofore has been limited to more elaborate mechanistic/compartmental disease models.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

The predictive skill of convolutional neural networks models for disease forecasting

In this paper we investigate the utility of one-dimensional convolutional neural network (CNN) models in epidemiological forecasting. Deep learning models, in particular variants of recurrent neural networks (RNNs) have been studied for ILI (Influenza-Like Illness) forecasting, and have achieved a higher forecasting skill compared to conventional models such as ARIMA. In this study, we adapt two neural networks that employ one-dimensional temporal convolutional layers as a primary building block—temporal convolutional networks and simple neural attentive meta-learners—for epidemiological forecasting. We then test them with influenza data from the US collected over 2010-2019. We find that epidemiological forecasting with CNNs is feasible, and their forecasting skill is comparable to, and at times, superior to, plain RNNs. Thus CNNs and RNNs bring the power of nonlinear transformations to purely data-driven epidemiological models, a capability that heretofore has been limited to more elaborate mechanistic/compartmental disease models.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

An algebraic convolution formulation for multiple-scattering correction in small-angle neutron scattering

Multiple scattering in small-angle neutron scattering (SANS) redistributes spectral weight and distorts structural interpretation, particularly for thick or strongly scattering samples. We develop a finite-dimensional spectral desmearing framework that corrects multiple scattering without resorting to integral transforms or model-dependent extrapolation. The primary intensity is expanded in an orthonormal basis adapted to the isotropic transverse-momentum measure, under which convolution reduces to a recursive tensor contraction, allowing the Poisson-weighted multiple-scattering series to be evaluated directly in a finite-dimensional basis representation. This formulation yields a stable forward–inverse mapping between apparent and primary spectra. Numerical tests demonstrate convergence under repeated convolution and accurate recovery of the single-scattering intensity. Application to SANS measurements collected at multiple neutron facilities, including the Spallation Neutron Source, the High Flux Isotope Reactor, and the Institut Laue-Langevin, shows the quantitative reconstruction of the underlying primary spectrum across a wide range of transmission conditions, including strongly attenuating samples. Here, the method provides a stable, model-agnostic framework for multiple-scattering correction in SANS and enables consistent structural interpretation across instruments and scattering regimes.

Tung, Chi-Huan [Oak Ridge National Laboratory (ORN↗
DOE OSTI2022

Multiresolution convolutional autoencoders

Herein we propose a multi-resolution convolutional autoencoder (MrCAE) architecture that integrates and leverages three highly successful mathematical architectures: (i) multigrid methods, (ii) convolutional autoencoders and (iii) transfer learning. The method provides an adaptive, hierarchical architecture that capitalizes on a progressive training approach for multiscale spatio-temporal data. This framework allows for inputs across multiple scales: starting from a compact (small number of weights) network architecture and low-resolution data, our network progressively deepens and widens itself in a principled manner to encode new information in the higher resolution data based on its current performance of reconstruction. Basic transfer learning techniques are applied to ensure information learned from previous training steps can be rapidly transferred to the larger network. As a result, the network can dynamically capture different scaled features at different depths of the network. The performance gains of this adaptive multiscale architecture are illustrated through a sequence of numerical experiments on synthetic examples and real-world spatial-temporal data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Deep Learning-Based Dynamic Modeling of Three-Phase Voltage Source Inverters

Inverter-based resource (IBR) models are necessary to analyze modern power system stability and create effective control strategies. Modeling IBRs in converter-rich power systems is crucial, yet challenging due to the lack of commercial information on converter topologies and control parameters. This paper proposes novel convolutional neural network (CNN)–based data-driven techniques for modeling IBRs, addressing adaptability and proprietary concerns without requiring internal system physics knowledge. The proposed method is tested using real grid-tied commercial IBR transient data and demonstrates effectiveness and accuracy. Furthermore, the developed modeling approach is integrated and implemented in the open-source power distribution simulation and analysis tool, GridLAB-D, to illustrate the potentiality of dynamic analysis of large-scale power systems with high IBRs.

deep learning, artificial intelligence↗
DOE OSTI2023

Ensemble models for circuit topology estimation, fault detection and classification in distribution systems

This paper presents a methodology for simultaneous fault detection, classification, and topology estimation for adaptive protection of distribution systems. The methodology estimates the probability of the occurrence of each one of these events by using a hybrid structure that combines three sub-systems, a convolutional neural network for topology estimation, a fault detection based on predictive residual analysis, and a standard support vector machine with probabilistic output for fault classification. The input to all these sub-systems is the local voltage and current measurements. A convolutional neural network uses these local measurements in the form of sequential data to extract features and estimate the topology conditions. The fault detector is constructed with a Bayesian stage (a multitask Gaussian process) that computes a predictive distribution (assumed to be Gaussian) of the residuals using the input. Since the distribution is known, these residuals can be transformed into a Standard distribution, whose values are then introduced into a one-class support vector machine. The structure allows using a one-class support vector machine without parameter cross-validation, so the fault detector is fully unsupervised. Finally, a support vector machine uses the input to perform the classification of the fault types. All three sub-systems can work in a parallel setup for both performance and computation efficiency. In conclusion, we test all three sub-systems included in the structure on a modified IEEE123 bus system, and we compare and evaluate the results with standard approaches.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

PDE-constrained high-order mesh optimization

Here, we present a novel framework for PDE-constrained r-adaptivity of high-order meshes. The proposed method formulates mesh movement as an optimization problem, with an objective function defined as a convex combination of a mesh quality metric and a measure of the accuracy of the PDE solution obtained via finite element discretization. The proposed formulation achieves optimized, well-defined high-order meshes by integrating mesh quality control, PDE solution accuracy, and robust gradient regularization. We adopt the Target-Matrix Optimization Paradigm to control geometric properties across the mesh, independent of the PDE of interest. To incorporate the accuracy of the PDE solution, we introduce error measures that control the finite element discretization error. The implicit dependence of these error measures on the mesh nodal positions is accurately captured by adjoint sensitivity analysis. Additionally, a convolution-based gradient regularization strategy is used to ensure stable and effective adaptation of high-order meshes. We demonstrate that the proposed framework can improve mesh quality and reduce the error by up to 10 times for the solution of Poisson and linear elasto-static problems. The approach is general with respect to the dimensionality, the order of the mesh, the types of mesh elements, and can be applied to any PDE that admits well-defined adjoint operators.

Computer science↗
DOE OSTI2022

Reconstructing High Resolution ESM Data Through a Novel Fast Super Resolution Convolutional Neural Network (FSRCNN)

In this work, we present the first application of a fast super resolution convolutional neural network (FSRCNN) based approach for downscaling earth system model (ESM) simulations. Unlike other SR approaches, FSRCNN uses the same input feature dimensions as the low resolution input. This allows it to have smaller convolution layers, avoiding over-smoothing, and reducing computational costs. We adapt the FSRCNN to improve reconstruction on ESM data, we term the FSRCNN-ESM. We use high-resolution (~0.25°) monthly averaged model output of five surface variables over North America from the US Department of Energy's Energy Exascale Earth System Model's control simulation. These high-resolution and corresponding coarsened low-resolution (~1°) pairs of images are used to train the FSRCNN-ESM and evaluate its use as a downscaling approach. We find that FSRCNN-ESM outperforms FSRCNN and other super-resolution methods in reconstructing high resolution images producing finer spatial scale features with better accuracy for surface temperature, surface radiative fluxes, and precipitation.

58 GEOSCIENCES↗
DOE OSTI2023

DeepAstroUDA: semi-supervised universal domain adaptation for cross-survey galaxy morphology classification and anomaly detection

Abstract Artificial intelligence methods show great promise in increasing the quality and speed of work with large astronomical datasets, but the high complexity of these methods leads to the extraction of dataset-specific, non-robust features. Therefore, such methods do not generalize well across multiple datasets. We present a universal domain adaptation method, DeepAstroUDA , as an approach to overcome this challenge. This algorithm performs semi-supervised domain adaptation (DA) and can be applied to datasets with different data distributions and class overlaps. Non-overlapping classes can be present in any of the two datasets (the labeled source domain, or the unlabeled target domain), and the method can even be used in the presence of unknown classes. We apply our method to three examples of galaxy morphology classification tasks of different complexities (three-class and ten-class problems), with anomaly detection: (1) datasets created after different numbers of observing years from a single survey (Legacy Survey of Space and Time mock data of one and ten years of observations); (2) data from different surveys (Sloan Digital Sky Survey (SDSS) and DECaLS); and (3) data from observing fields with different depths within one survey (wide field and Stripe 82 deep field of SDSS). For the first time, we demonstrate the successful use of DA between very discrepant observational datasets. DeepAstroUDA is capable of bridging the gap between two astronomical surveys, increasing classification accuracy in both domains (up to 40 % on the unlabeled data), and making model performance consistent across datasets. Furthermore, our method also performs well as an anomaly detection algorithm and successfully clusters unknown class samples even in the unlabeled target dataset.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Improving robustness for model discerning synthesis process of uranium oxide with unsupervised domain adaptation

The quantitative characterization of surface structures captured in scanning electron microscopy (SEM) images has proven to be effective for discerning provenance of an unknown nuclear material. Recently, many works have taken advantage of the powerful performance of convolutional neural networks (CNNs) to provide faster and more consistent characterization of surface structures. However, one inherent limitation of CNNs is their degradation in performance when encountering discrepancy between training and test datasets, which limits their use widely. The common discrepancy in an SEM image dataset occurs at low-level image information due to user-bias in selecting acquisition parameters and microscopes from different manufacturers. Therefore, in this study, we present a domain adaptation framework to improve robustness of CNNs against the discrepancy in low-level image information. Furthermore, our proposed approach makes use of only unlabeled test samples to adapt a pretrained model, which is more suitable for nuclear forensics application for which obtaining both training and test datasets simultaneously is a challenge due to data sensitivity. Through extensive experiments, we demonstrate that our proposed approach effectively improves the performance of a model by at least 18% when encountering domain discrepancy, and can be deployed in many CNN architectures.

scanning electron microscopy↗
DOE OSTI2023

Digital Modeling on Large Kernel Metamaterial Neural Network

Deep neural networks (DNNs) utilized recently are physically deployed with computational units (e.g., CPUs and GPUs). Such a design might lead to a heavy computational burden, significant latency, and intensive power consumption, which are critical limitations in applications such as Internet of Things (IoT), edge computing, and usage of drones. Recent advances in optical computational units (e.g., metamaterial) have shed light on energy-free and light-speed neural networks. However, the digital design of the metamaterial neural network (MNN) is fundamentally limited by its physical limitations, such as precision, noise, and bandwidth during fabrication. Moreover, the unique advantages of MNN’s (e.g., light-speed computation) are not fully explored via standard 3×3 convolution kernels. In this paper, we propose a novel large kernel metamaterial neural network (LMNN) that maximizes the digital capacity of the state-of-the-art (SOTA) MNN with model re-parametrization and network compression, while also considering the optical limitation explicitly. The new digital learning scheme can maximize the learning capacity of MNN while modeling the physical restrictions of meta-optics. With the proposed LMNN, the computation cost of the convolutional front-end can be offloaded to fabricated optical hardware. The experimental results on two publicly available datasets demonstrate that the optimized hybrid design improved classification accuracy while reducing computational latency. In conclusion, the development of the proposed LMNN is a promising step towards the ultimate goal of energy-free and light-speed AI.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Adaptive pruning-based optimization of parameterized quantum circuits

Abstract Variational hybrid quantum–classical algorithms are powerful tools to maximize the use of noisy intermediate-scale quantum devices. While past studies have developed powerful and expressive ansatze, their near-term applications have been limited by the difficulty of optimizing in the vast parameter space. In this work, we propose a heuristic optimization strategy for such ansatze used in variational quantum algorithms, which we call ‘parameter-efficient circuit training (PECT)’. Instead of optimizing all of the ansatz parameters at once, PECT launches a sequence of variational algorithms, in which each iteration of the algorithm activates and optimizes a subset of the total parameter set. To update the parameter subset between iterations, we adapt the Dynamic Sparse Reparameterization scheme which was originally proposed for training deep convolutional neural networks. We demonstrate PECT for the Variational Quantum Eigensolver, in which we benchmark unitary coupled-cluster ansatze including UCCSD and k -UpCCGSD, as well as the Low-Depth Circuit Ansatz (LDCA), to estimate ground state energies of molecular systems. We additionally use a layerwise variant of PECT to optimize a hardware-efficient circuit for the Sycamore processor to estimate the ground state energy densities of the one-dimensional Fermi-Hubbard model. From our numerical data, we find that PECT can enable optimizations of certain ansatze that were previously difficult to converge and more generally can improve the performance of variational algorithms by reducing the optimization runtime and/or the depth of circuits that encode the solution candidate(s).

Physics↗
DOE OSTI2022

Learning Optimal Multigrid Smoothers via Neural Networks

Multigrid methods are one of the most efficient techniques for solving large sparse linear systems arising from partial differential equations (PDEs) and graph Laplacians from machine learning applications. One of the key components of multigrid is smoothing, which aims at reducing high-frequency errors on each grid level. However, finding optimal smoothing algorithms is problem-dependent and can impose challenges for many problems. In this paper, we propose an efficient adaptive framework for learning optimized smoothers from operator stencils in the form of convolutional neural networks (CNNs). Here, the CNNs are trained on small-scale problems from a given type of PDEs based on a supervised loss function derived from multigrid convergence theories and can be applied to large-scale problems of the same class of PDEs. Numerical results on anisotropic rotated Laplacian problems and variable coefficient diffusion problems demonstrate improved convergence rates and solution time compared with classical hand-crafted relaxation methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Spatiotemporal Graph Convolutional Networks for Earthquake Source Characterization

Abstract Accurate earthquake location and magnitude estimation play critical roles in seismology. Recent deep learning frameworks have produced encouraging results on various seismological tasks (e.g., earthquake detection, phase picking, seismic classification, and earthquake early warning). Many existing machine learning earthquake location methods utilize waveform information from a single station. However, multiple stations contain more complete information for earthquake source characterization. Inspired by recent successes in applying graph neural networks (GNNs) in graph‐structured data, we develop a Spatiotemporal Graph Neural Network (STGNN) for estimating earthquake locations and magnitudes. Our graph neural network leverages geographical and waveform information from multiple stations to construct graphs automatically and dynamically by adaptive message passing based on graphs' edges. Using a recent graph neural network and a fully convolutional neural network as baselines, we apply STGNN to earthquakes recorded by the Southern California Seismic Network from 2000 to 2019 and earthquakes collected in Oklahoma from 2014 to 2015. STGNN yields more accurate earthquake locations than those obtained by the baseline models and performs comparably in terms of depth and magnitude prediction, though the ability to predict depth and magnitude remains weak for all tested models. Our work demonstrates the potential of using GNNs and multiple stations for better automatic estimation of earthquake epicenters.

58 GEOSCIENCES↗
DOE OSTI2021

Real-Time and Adaptive Reservoir Computing With Application to Profile Prediction in Fusion Plasma

Nuclear fusion is a promising alternative to address the problem of sustainable energy production. The tokamak is an approach to fusion based on magnetic plasma confinement, constituting a complex physical system with many control challenges. Here we study the characteristics and optimization of reservoir computing (RC) for real-time and adaptive prediction of plasma profiles in the DIII-D tokamak. Our experiments demonstrate that RC achieves comparable results to state-of-the-art (deep) convolutional neural networks (CNNs) and long short-term memory (LSTM) models, with a significantly easier and faster training procedure. This efficient approach allows for fast and frequent adaptation of the model to new situations, such as changing plasma conditions or different fusion devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Adaptive machine learning for time-varying systems: low dimensional latent space tuning

Machine learning (ML) tools such as encoder-decoder convolutional neural networks (CNN) can represent incredibly complex nonlinear functions which map between combinations of images and scalars. For example, CNNs can be used to map combinations of accelerator parameters and images which are 2D projections of the 6D phase space distributions of charged particle beams as they are transported between various particle accelerator locations. Despite their strengths, applying ML to time-varying systems, or systems with shifting distributions, is an open problem, especially for large systems for which collecting new data for re-training is impractical or interrupts operations. Particle accelerators are one example of large time-varying systems for which collecting detailed training data requires lengthy dedicated beam measurements which may no longer be available during regular operations. We present a novel method of adaptive ML for time-varying systems. Our approach is to map very high (N ≈ 100k) dimensional inputs (a combination of scalar parameters and images) into the low dimensional (N ≈ 2) latent space at the output of the encoder section of an encoder-decoder CNN. We then actively tune the low dimensional latent space-based representation of complex system dynamics by the addition of an adaptively tuned feedback vector directly before the decoder sections builds back up to our image-based high-dimensional phase space density representations. This method allows us to learn correlations within and to quickly tune the characteristics of incredibly large parameter space systems and to track their evolution in real time based on feedback without massive new data sets for re-training. We demonstrate that our method can accurately predict and track the phase space of charged particle beams at various locations in a particle accelerator by adaptively adjusting in real-time while the unknown input beam distribution of the accelerator is changing in shape, charge, and offset and while the RF system of the accelerator itself is also changing in an unpredictable way. For FACET-II we demonstrate that such an approach has the potential to use transverse deflecting cavity and energy spread spectrum beam measurements to accurately predict 2D projections of the 6D phase space of the electron beam at the plasma wakefield acceleration interaction point where such diagnostics are unavailable.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Time projection chamber for GADGET II

The established Gaseous Detector with Germanium Tagging (GADGET) detection system is used to measure weak, low-energy 𝛽-delayed proton decays. It consists of the Gaseous Proton Detector equipped with a MICROMEGAS (MM) readout to detect protons and other charged particles calorimetrically, surrounded by the Segmented Germanium Array (SeGA) for high-resolution detection of prompt 𝛾 rays. To upgrade GADGET's Proton Detector to operate as a compact time projection chamber (TPC) for the detection, three-dimensional imaging and identification of low-energy 𝛽-delayed single- and multiparticle emissions mainly of interest to astrophysical studies. A new high granularity MM board with 1024 pads has been designed, fabricated, installed, and tested. A high-density data acquisition system based on generic electronics for TPCs (GET) has been installed and optimized to record and process the gas avalanche signals collected on the readout pads. The TPC's performance has been tested using a 220 Rn 𝛼-particle source and cosmic-ray muons. In addition, decay events in the TPC have been simulated by adapting the attpcroot data analysis framework. Furthermore, a novel application of two-dimensional convolutional neural networks for GADGET II event classification is introduced. The optimization of data throughput is also addressed. The GADGET II TPC is capable of detecting and identifying 𝛼 particles as well as measuring their track direction, range, and energy. The extracted energy resolution of the GADGET II TPC using P10 gas is about 5.4% at 6.288 MeV ( 220 Rn 𝛼 events), computed using charge integration. Based on a systematic simulation study, we estimated the detection efficiency of the GADGET II TPC for protons and 𝛼 particles, respectively. It has also been demonstrated that the GADGET II TPC is capable of tracking minimum-ionizing particles (i.e., cosmic-ray muons). From these measurements, the electron drift velocity was measured under typical operating conditions. In addition to being one of the first generation of micropattern gaseous detectors (MPGDs) to utilize a resistive anode applied to low-energy nuclear physics, the GADGET II TPC will also be the first TPC surrounded by a high-efficiency array of high-purity germanium 𝛾-ray detectors. As a result, the TPC of GADGET II has been designed, fabricated, and tested and is ready for operation at the Facility for Rare Isotope Beams for radioactive-beam-line experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗