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All sources NASA NTRS DOE OSTI

DOE OSTI2021

Autonomous nondestructive evaluation of resistance spot welded joints

The application of non-destructive evaluation approaches has attracted strong interests in modern automotive industries. Here, we present an autonomous deep-computing framework to analyze raw videos from infrared systems and to predict weld nugget shape and size with unprecedented accuracy and speed. In a comprehensive training and testing experiment with 90 videos (seven sets of welding material stack-ups), a new method was developed to assemble sufficient datasets for neural network training. Our framework successfully predicts all the nugget shapes with F1 scores that range from 0.84 to 0.92. The total training time on Nvidia DGX station takes less than 10 min for each set of welding material stack-up. The real inference time of an individual dataset (with 30 video frames) takes about 0.005 s. The procedure and methods developed in the study can be applied to other image-based weld property prediction, as well as other manufacturing processes. Furthermore, our well-trained neural networks take limited memory resources (2.3 MB) and are suitable for embedded microprocessors for in-situ welding quality control as edge computing within an intelligent welding framework.

42 ENGINEERING↗

DOE OSTI2023

Neural Networks-Based Inverter Control: Modeling and Adaptive Optimization for Smart Distribution Networks

The optimal voltage control of inverter-based resources, especially under the high penetration of solar photovoltaics, is critical to the stability of the distribution power system. However, the computational complexity as well as the coordinated operation performance of the voltage control optimization in the distribution power system limits the real-time applications. To mitigate this issue, a model-free based adaptive optimal control scheme for the smart inverter is proposed to maximize the active power generation, minimize the power loss, and maintain the bus voltages in smart distribution networks. An inverter-based optimization model for coordinated operation is first established, considering the uncertainties of renewable power generation. Subsequently, by collecting the data and control strategies, the neural networks (NNs) based algorithm is proposed to efficiently predict the best possible control strategy. The main objective of this scheme is to accurately predict candidate optimal solutions with near-negligible feasibility and optimization gaps, with the advantage of avoiding complicated iteration-based numerical algorithms. Thereafter, the co-simulation among OpenDSS, MATLAB, and Python is set up to fully take advantage of the three individual software. Experiments are conducted based on different control parameter characteristics and structures of NNs. Finally, the results reveal that an average mean squared error of 0.013 and 1 ms response time are achieved, which is lower than some state-of-the-art methods.

42 ENGINEERING↗

DOE OSTI2022

Dimension-adaptive machine learning-based quantum state reconstruction

Here, we introduce an approach for performing quantum state reconstruction on systems of n qubits using a machine learning-based reconstruction system trained exclusively on m qubits, where m ≥ n. This approach removes the necessity of exactly matching the dimensionality of a system under consideration with the dimension of a model used for training. We demonstrate our technique by performing quantum state reconstruction on randomly sampled systems of one, two, and three qubits using machine learning-based methods trained exclusively on systems containing at least one additional qubit. The reconstruction time required for machine learning-based methods scales significantly more favorably than the training time; hence this technique can offer an overall saving of resources by leveraging a single neural network for dimension-variable state reconstruction, obviating the need to train dedicated machine learning systems for each Hilbert space.

42 ENGINEERING↗

DOE OSTI2021

Automated Generation of Integrated Digital and Spiking Neuromorphic Machine Learning Accelerators

The growing numbers of application areas for artificial intelligence (AI) methods have led to an explosion of domain-specific accelerators that could support every new machine learning (ML) algorithm advancement, clearly highlighting the need for a capability to quickly and automatically transition from algorithm definition to hardware implementation and explore design space along a variety of SWaP (size, weight and Power). The software defined architectures (SODA) synthesizer implements a compiler-based modular infrastructure for the end-to-end generation of machine learning accelerators from high-level frameworks to hardware description language. At the same time, neuromorphic computing, by mimicking how the brain operates, promises to perform artificial intelligence tasks at efficiencies orders of magnitude higher than the current conventional tensor-processing based accelerators, as demonstrated by a variety of specialized designs leveraging Spiking Neural Networks (SNNs). Nevertheless, the mapping of an artificial neural network (ANN) to solutions supporting SNNs is still a non-trivial and very device-specific task, and completely lack the possibility to design hybrid systems that integrate conventional and spiking neural models. In this paper we discuss the support for such an integrated generation leveraging the SODA Synthesizer framework and its modular structure. In particular, we present a new MLIR dialect (part of the SODA frontend) that allows expressing spiking neural network features (e.g., available resources, spiking sequences, analog signal reading, etc.) and illustrate how it enables mapping to Spiking Neurons and deployment to the related specialized hardware (which, in the digital domain, could be generated through the other existing layers of the SODA Synthesizer). We then discuss the opportunities for even deeper integration afforded by the hardware compilation infrastructure, providing a path towards the generation of complex heterogeneous artificial intelligence systems.

Curzel, Serena↗

DOE OSTI2025

Surrogate Neural Architecture Codesign Package (SNAC-Pack)

Neural Architecture Search is a powerful approach for automating model design, but existing methods struggle to accurately optimize for real hardware performance, often relying on proxy metrics such as bit operations. We present Surrogate Neural Architecture Codesign Package (SNAC-Pack), an integrated framework that automates the discovery and optimization of neural networks focusing on FPGA deployment. SNAC-Pack combines Neural Architecture Codesign's multi-stage search capabilities with the Resource Utilization and Latency Estimator, enabling multi-objective optimization across accuracy, FPGA resource utilization, and latency without requiring time-intensive synthesis for each candidate model. We demonstrate SNAC-Pack on a high energy physics jet classification task, achieving 63.84% accuracy with resource estimation. When synthesized on a Xilinx Virtex UltraScale+ VU13P FPGA, the SNAC-Pack model matches baseline accuracy while maintaining comparable resource utilization to models optimized using traditional BOPs metrics. This work demonstrates the potential of hardware-aware neural architecture search for resource-constrained deployments and provides an open-source framework for automating the design of efficient FPGA-accelerated models.

Weitz, Jason [UC, San Diego] (ORCID:00090004631535↗

DOE OSTI2024

Distilling particle knowledge for fast reconstruction at high-energy physics experiments

Knowledge distillation is a form of model compression that allows artificial neural networks of different sizes to learn from one another. Its main application is the compactification of large deep neural networks to free up computational resources, in particular on edge devices. In this article, we consider proton-proton collisions at the High-Luminosity Large Hadron Collider (HL-LHC) and demonstrate a successful knowledge transfer from an event-level graph neural network (GNN) to a particle-level small deep neural network (DNN). Our algorithm, DistillNet, is a DNN that is trained to learn about the provenance of particles, as provided by the soft labels that are the GNN outputs, to predict whether or not a particle originates from the primary interaction vertex. The results indicate that for this problem, which is one of the main challenges at the HL-LHC, there is minimal loss during the transfer of knowledge to the small student network, while improving significantly the computational resource needs compared to the teacher. This is demonstrated for the distilled student network on a CPU, as well as for a quantized and pruned student network deployed on a field programmable gate array. Our study proves that knowledge transfer between networks of different complexity can be used for fast artificial intelligence (AI) in high-energy physics that improves the expressiveness of observables over non-AI-based reconstruction algorithms. Such an approach can become essential at the HL-LHC experiments, e.g. to comply with the resource budget of their trigger stages.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Image transformers for classifying acute lymphoblastic leukemia

Cancer is the leading cause of death by disease in American children. Each year, nearly 16,000 children in the United States and over 300,000 children globally are diagnosed with cancer. Leukemia is a form of blood cancer that originates in the bone marrow and accounts for one-third of pediatric cancers. This disease occurs when the bone marrow contains 20% or more immature white blood cell blasts. Acute lymphoblastic leukemia is the most prevalent leukemia type found in children, with half of all annual cases in the U.S. diagnosed for subjects under 20 years of age. To diagnose acute lymphoblastic leukemia, pathologists often conduct a morphological bone marrow assessment. This assessment determines whether the immature white blood cell blasts in bone marrow display the correct morphological characteristics, such as size and appearance of nuclei. Pathologists also use immunophenotyping via multi-channel flow cytometry to test whether certain antigens are present on the surface of blast cells; the antigens are used to identify the cell lineage of acute lymphoblastic leukemia. These manual processes require well-trained personnel and medical professionals, thus being costly in time and expenses. Computerized decision support via machine learning can accelerate the diagnosis process and reduce the cost. Training a reliable classification model to distinguish between mature and immature white blood cells is essential to the decision support system. Here, we adopted the Vision Transformer model to classify white blood cells. The Vision Transformer achieved superb classification performance compared to state-of-the-art convolutional neural networks while requiring less computational resources for training. Additionally, the latent self-attention architecture provided attention maps for a given image, providing clues as to which portion(s) of the image were significant in decision-making. We applied the Vision Transformer model and a convolutional neural network model to an acute lymphoblastic leukemia classification dataset of 12,528 samples and achieved accuracies of 88.4% and 86.2%.

Cho, Priscilla↗

NASA NTRS1991

Real-time expert system and neural network for the classification of remotely sensed data

The paper examines software techniques for classifying remotely sensed data such that the number of computational steps and the amount of resources are bounded. The combination of both neural network and expert system methodology for classifying these data based on land use/land cover categories is examined. The method involves pipelining images through a neural net for initial classification and then through the expert system which resolves the ambiguous classifications. As with any pipeline, every component must have approximately equivalent run-times or otherwise a bottleneck will occur. If real-time is a requirement, each of the components must execute within a bounded number of steps. Attention is focused on the real-time system technique, which is argued to prevent a bottleneck for this data classification application.

Short, Nicholas, Jr.↗

DOE OSTI2022

Scalable deep learning for watershed model calibration

Watershed models such as the Soil and Water Assessment Tool (SWAT) consist of high-dimensional physical and empirical parameters. These parameters often need to be estimated/calibrated through inverse modeling to produce reliable predictions on hydrological fluxes and states. Existing parameter estimation methods can be time consuming, inefficient, and computationally expensive for high-dimensional problems. In this paper, we present an accurate and robust method to calibrate the SWAT model (i.e., 20 parameters) using scalable deep learning (DL). We developed inverse models based on convolutional neural networks (CNN) to assimilate observed streamflow data and estimate the SWAT model parameters. Scalable hyperparameter tuning is performed using high-performance computing resources to identify the top 50 optimal neural network architectures. We used ensemble SWAT simulations to train, validate, and test the CNN models. We estimated the parameters of the SWAT model using observed streamflow data and assessed the impact of measurement errors on SWAT model calibration. We tested and validated the proposed scalable DL methodology on the American River Watershed, located in the Pacific Northwest-based Yakima River basin. Our results show that the CNN-based calibration is better than two popular parameter estimation methods (i.e., the generalized likelihood uncertainty estimation [GLUE] and the dynamically dimensioned search [DDS], which is a global optimization algorithm). For the set of parameters that are sensitive to the observations, our proposed method yields narrower ranges than the GLUE method but broader ranges than values produced using the DDS method within the sampling range even under high relative observational errors. The SWAT model calibration performance using the CNNs, GLUE, and DDS methods are compared using R 2 and a set of efficiency metrics, including Nash-Sutcliffe, logarithmic Nash-Sutcliffe, Kling-Gupta, modified Kling-Gupta, and non-parametric Kling-Gupta scores, computed on the observed and simulated watershed responses. The best CNN-based calibrated set has scores of 0.71, 0.75, 0.85, 0.85, 0.86, and 0.91. The best DDS-based calibrated set has scores of 0.62, 0.69, 0.8, 0.77, 0.79, and 0.82. The best GLUE-based calibrated set has scores of 0.56, 0.58, 0.71, 0.7, 0.71, and 0.8. The scores above show that the CNN-based calibration leads to more accurate low and high streamflow predictions than the GLUE and DDS sets. Our research demonstrates that the proposed method has high potential to improve our current practice in calibrating large-scale integrated hydrologic models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Neural net detection of seismic features related to gas hydrates and free gas accumulations on the northern U.S. Atlantic margin

Bottom-simulating reflections (BSRs) that sometimes mark the base of the gas hydrate stability zone in marine sediments are often identified based on the reverse polarity reflections that cut across stratigraphic layering in seismic amplitude data. On the northern U.S. Atlantic margin (USAM) between Cape Hatteras and Hudson Canyon, legacy seismic data have revealed pronounced BSRs south of the deepwater extension of Hudson Canyon and more subtle ones from offshore Delaware south to Cape Hatteras, where the reflections sometimes follow stratigraphic layering. Using high-resolution seismic data acquired during the 2018 Mid-Atlantic Resource Imaging Experiment and a supervised neural net, we identify seismic features associated with gas hydrates and/or the top of gas between Hudson Canyon and Cape Hatteras. Using seismic attributes especially sensitive to the presence of gas, we train a neural network algorithm on seismic data from an area with strong BSRs and then apply the model to the rest of the data set. The results indicate that gas hydrate and/or shallow free gas are significantly more widespread on the northern part of the USAM than previously known. Seismic indicators of gas extend landward from the 2000 m isobath to the upper continental slope in sectors with (offshore Virginia) and, to a lesser extent, without (offshore New Jersey) pervasive upper slope methane seeps. Higher sand content and intermediate sediment thickness, factors related to the container size and gas charge in a petroleum systems framework, are associated with more robust gas indicators.

Geochemistry & Geophysics↗

NASA NTRS1991

Neural-Network Simulator

F77NNS (FORTRAN 77 Neural Network Simulator) computer program simulates popular back-error-propagation neural network. Designed to take advantage of vectorization when used on computers having this capability, also used on any computer equipped with ANSI-77 FORTRAN Compiler. Problems involving matching of patterns or mathematical modeling of systems fit class of problems F77NNS designed to solve. Program has restart capability so neural network solved in stages suitable to user's resources and desires. Enables user to customize patterns of connections between layers of network. Size of neural network F77NNS applied to limited only by amount of random-access memory available to user.

Mitchell, Paul H.↗

NASA NTRSDate not supplied

SPIKE-Dx : A Low-Power High-Throughput Fault Diagnostics Tool using Spiking Neural Networks for Constrained Systems

Diagnostic systems are important for many aerospace systems, which are severely limited in available power, like cubesats or UAVs. Therefore, traditional diagnostics systems cannot be used due to their substantial footprint and constraints. In this paper, we present our very low power diagnostic tool SPIKE-DX to monitor critical systems with constrained computational and energy resources. This is made possible through spiking neural networks (SNNs), which are executable within optimized simulation environments and further implemented on on cutting-edge neuromorphic hardware. Based upon FMEA (Failure Mode and Effect Analysis) framework, Diagnostic Bayesian Networks (DBNs) can be constructed that provide powerful means for diagnostic reasoning. In this paper, we describe such DBNs and a method to automatically translate the DBN into highly structured networks of spiking neurons for execution in SPIKE-DX.

Spiking Neural Networks↗

NASA NTRS1998

Two-Dimensional High-Lift Aerodynamic Optimization Using Neural Networks

The high-lift performance of a multi-element airfoil was optimized by using neural-net predictions that were trained using a computational data set. The numerical data was generated using a two-dimensional, incompressible, Navier-Stokes algorithm with the Spalart-Allmaras turbulence model. Because it is difficult to predict maximum lift for high-lift systems, an empirically-based maximum lift criteria was used in this study to determine both the maximum lift and the angle at which it occurs. The 'pressure difference rule,' which states that the maximum lift condition corresponds to a certain pressure difference between the peak suction pressure and the pressure at the trailing edge of the element, was applied and verified with experimental observations for this configuration. Multiple input, single output networks were trained using the NASA Ames variation of the Levenberg-Marquardt algorithm for each of the aerodynamic coefficients (lift, drag and moment). The artificial neural networks were integrated with a gradient-based optimizer. Using independent numerical simulations and experimental data for this high-lift configuration, it was shown that this design process successfully optimized flap deflection, gap, overlap, and angle of attack to maximize lift. Once the neural nets were trained and integrated with the optimizer, minimal additional computer resources were required to perform optimization runs with different initial conditions and parameters. Applying the neural networks within the high-lift rigging optimization process reduced the amount of computational time and resources by 44% compared with traditional gradient-based optimization procedures for multiple optimization runs.

Greenman, Roxana M.↗

NASA NTRS1998

High-Lift Optimization Design Using Neural Networks on a Multi-Element Airfoil

The high-lift performance of a multi-element airfoil was optimized by using neural-net predictions that were trained using a computational data set. The numerical data was generated using a two-dimensional, incompressible, Navier-Stokes algorithm with the Spalart-Allmaras turbulence model. Because it is difficult to predict maximum lift for high-lift systems, an empirically-based maximum lift criteria was used in this study to determine both the maximum lift and the angle at which it occurs. Multiple input, single output networks were trained using the NASA Ames variation of the Levenberg-Marquardt algorithm for each of the aerodynamic coefficients (lift, drag, and moment). The artificial neural networks were integrated with a gradient-based optimizer. Using independent numerical simulations and experimental data for this high-lift configuration, it was shown that this design process successfully optimized flap deflection, gap, overlap, and angle of attack to maximize lift. Once the neural networks were trained and integrated with the optimizer, minimal additional computer resources were required to perform optimization runs with different initial conditions and parameters. Applying the neural networks within the high-lift rigging optimization process reduced the amount of computational time and resources by 83% compared with traditional gradient-based optimization procedures for multiple optimization runs.

Greenman, Roxana M.↗

DOE OSTI2025

wa-hls4ml and lui-gnn: A benchmark and GNN-based surrogate model for hls4ml resource and latency estimation

As machine learning (ML) increasingly serves as a tool for addressing real-time challenges in scientific applications, the development of advanced tooling has significantly reduced the time required to iterate on various designs. These advancements have solved major obstacles, but also exposed new challenges. For example, processes that were not previously considered bottlenecks, such as model synthesis, are now becoming limiting factors in the rapid iteration of designs. To reduce these emerging constraints, multiple efforts are being launched toward designing an ML-based surrogate model that estimates resource usage of synthesized accelerator architectures. This model would reduce the design iteration time, especially when designing within a set of given hardware constraints. This approach shows considerable potential, but as it stands, the effort is early and would benefit from coordination and standardization to assist future work as it emerges. We introduce wa-hls4ml, a benchmark for ML accelerator resource and latency estimation, and its corresponding initial dataset of more than 100,000 fully connected neural networks, all synthesized using hls4ml and targeting Xilinx FPGAs. In addition to the resource utilization and latency data provided, the dataset includes generated artifacts and log files for many of the synthesized neural networks, in order to support future research in ML-based code generation. The benchmark evaluates the performance of resource and latency predictors against several common ML model architectures, primarily originating from scientific domains, as exemplar models, as well as the average performance across a subset of the dataset. We measure the performance of a given predictor model through multiple metrics, including $R^2$ score and SMAPE on regression tasks, as well as inference time to further characterize the estimator under test. Additionally, we introduce the latency/utilization inference graph neural network (lui-gnn), a surrogate model that uses a graph neural network to represent input architectures in the form of a directed graph. This graph representation allows for a diverse set of model architectures to all be effectively handled by a surrogate model. We present the architecture and performance of the model, as evaluated by the new proposed benchmark, including SMAPE, $R^2$ score, and inference times, and find that lui-gnn generally predicts latency and utilization for the 75\% quantile within several percent of the synthesized resources on the synthetic test dataset, indicating that this approach of estimating resource and latency via a surrogate models has promise and warrants further research.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Towards Compact Neural Networks via End-to-End Training: A Bayesian Tensor Approach with Automatic Rank Determination

Post-training model compression can reduce the inference costs of deep neural networks, but uncompressed training still consumes enormous hardware resources and energy. To enable low-energy training on edge devices, it is highly desirable to directly train a compact neural network from scratch with a low memory cost. Low-rank tensor decomposition is an effective approach to reduce the memory and computing costs of large neural networks. However, directly training low-rank tensorized neural networks is a very challenging task because it is hard to determine a proper tensor rank a priori, and the tensor rank controls both model complexity and accuracy. Here, this paper presents a novel end-to-end framework for low-rank tensorized training. We first develop a Bayesian model that supports various low-rank tensor formats (e.g., CANDECOMP/PARAFAC, Tucker, tensor-train, and tensor-train matrix) and reduces neural network parameters with automatic rank determination during training. Then we develop a customized Bayesian solver to train large-scale tensorized neural networks. Our training methods shows orders-of-magnitude parameter reduction and little accuracy loss (or even better accuracy) in the experiments. On a very large deep learning recommendation system with over 4.2 ×10 9 model parameters, our method can reduce the parameter number to 1.6 ×10 5 automatically in the training process (i.e., by 2.6 ×10 4 times) while achieving almost the same accuracy. Code is available at https://github.com/colehawkins/bayesian-tensor-rank-determination.

compact neural networks↗

DOE OSTI2022

Bioplastic design using multitask deep neural networks

Abstract Non-degradable plastic waste jeopardizes our environment, yet our modern lifestyle and current technologies are impossible to sustain without plastics. Bio-synthesized and biodegradable alternatives such as polyhydroxyalkanoates (PHAs) have the potential to replace large portions of the world’s plastic supply with cradle-to-cradle materials, but their chemical complexity and diversity limit traditional resource-intensive experimentation. Here, we develop multitask deep neural network property predictors using available experimental data for a diverse set of nearly 23,000 homo- and copolymer chemistries. Using the predictors, we identify 14 PHA-based bioplastics from a search space of almost 1.4 million candidates which could serve as potential replacements for seven petroleum-based commodity plastics that account for 75% of the world’s yearly plastic production. We also discuss possible synthesis routes for the identified promising materials.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Semantic segmentation with a sparse convolutional neural network for event reconstruction in MicroBooNE

We present the performance of a semantic segmentation network, SparseSSNet, that provides pixel-level classification of MicroBooNE data. The MicroBooNE experiment employs a liquid argon time projection chamber for the study of neutrino properties and interactions. SparseSSNet is a submanifold sparse convolutional neural network, which provides the initial machine learning based algorithm utilized in one of MicroBooNE's ν e -appearance oscillation analyses. The network is trained to categorize pixels into five classes, which are re-classified into two classes more relevant to the current analysis. The output of SparseSSNet is a key input in further analysis steps. This technique, used for the first time in liquid argon time projection chambers data and is an improvement compared to a previously used convolutional neural network, both in accuracy and computing resource utilization. Here, the accuracy achieved on the test sample is ≥ 99%. For full neutrino interaction simulations, the time for processing one image is ≈ 0.5 sec, the memory usage is at 1 GB level, which allows utilization of most typical CPU worker machine.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗