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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 937 records · Page 52

CyBERT: Cybersecurity Claim Classification by Fine-Tuning the BERT Language Model

We introduce CyBERT, a cybersecurity feature claims classifier based on bidirectional encoder representations from transformers and a key component in our semi-automated cybersecurity vetting for industrial control systems (ICS). To train CyBERT, we created a corpus of labeled sequences from ICS device documentation collected across a wide range of vendors and devices. This corpus provides the foundation for fine-tuning BERT’s language model, including a prediction-guided relabeling process. We propose an approach to obtain optimal hyperparameters, including the learning rate, the number of dense layers, and their configuration, to increase the accuracy of our classifier. Fine-tuning all hyperparameters of the resulting model led to an increase in classification accuracy from 76% obtained with BertForSequenceClassification’s original architecture to 94.4% obtained with CyBERT. Furthermore, we evaluated CyBERT for the impact of randomness in the initialization, training, and data-sampling phases. CyBERT demonstrated a standard deviation of ±0.6% during validation across 100 random seed values. Finally, we also compared the performance of CyBERT to other well-established language models including GPT2, ULMFiT, and ELMo, as well as neural network models such as CNN, LSTM, and BiLSTM. The results showed that CyBERT outperforms these models on the validation accuracy and the F1 score, validating CyBERT’s robustness and accuracy as a cybersecurity feature claims classifier.

97 MATHEMATICS AND COMPUTING↗

Kanerva's sparse distributed memory: An associative memory algorithm well-suited to the Connection Machine

The advent of the Connection Machine profoundly changes the world of supercomputers. The highly nontraditional architecture makes possible the exploration of algorithms that were impractical for standard Von Neumann architectures. Sparse distributed memory (SDM) is an example of such an algorithm. Sparse distributed memory is a particularly simple and elegant formulation for an associative memory. The foundations for sparse distributed memory are described, and some simple examples of using the memory are presented. The relationship of sparse distributed memory to three important computational systems is shown: random-access memory, neural networks, and the cerebellum of the brain. Finally, the implementation of the algorithm for sparse distributed memory on the Connection Machine is discussed.

Rogers, David↗

A space-time neural network

Introduced here is a novel technique which adds the dimension of time to the well known back propagation neural network algorithm. Cited here are several reasons why the inclusion of automated spatial and temporal associations are crucial to effective systems modeling. An overview of other works which also model spatiotemporal dynamics is furnished. A detailed description is given of the processes necessary to implement the space-time network algorithm. Several demonstrations that illustrate the capabilities and performance of this new architecture are given.

Villarreal, James A.↗

From clutter to clarity: Emergent neural operators via questionnaire metrics

Real-world datasets in chemical engineering and bioengineering processes—such as those from catalytic reactors, multiphase flows, polymerization reactors, bioreactors, and clinical trials—can often be unlabeled or disorganized, rendering the training of existing supervised learning models ineffective at learning the underlying dynamics. To salvage these datasets for decision-making, we first seek to obtain clarity from the cluttered data. Here, we present a framework for developing “structural” generative models, discovering emergent equations, and constructing efficient emulators from scrambled datasets by integrating unsupervised organizational learning techniques (Questionnaires) with advanced deep learning architectures (Deep Hidden Physics Models and Deep Operator Networks). Our approach is demonstrated on two illustrative model systems: (a) a 1D advection–diffusion partial differential equation representing a winding underground pipe and (b) an ensemble of Stuart–Landau oscillators, an agent-based system of coupled ordinary differential equations. In both cases, we successfully reconstruct meaningful spatial, temporal, and parameter embeddings from scrambled data, enabling good predictions of system dynamics. As a result, we highlight the framework’s potential for broader applications, enabling data-driven system identification in fields with inherently disorganized or hidden parameter spaces.

42 ENGINEERING↗

In-situ sensor monitoring of multi-class gas porosity formation in laser powder bed fusion using convolutional neural network

In-situ monitoring of defect formation remains a significant challenge in the laser powder bed fusion (LPBF) process. Recent advances have enabled real-time defect detection with machine learning and in-situ sensing technologies; however, most studies focus on binary classification of keyhole pores, limiting nuanced multi-class pore differentiation and formation mechanisms. This work introduces a multi-class pore detection framework (no pore, small pores < 15 µm, and large pores > 15 µm) by leveraging photodiode sensor data alongside high-fidelity synchrotron X-ray imaging. The 15 µm threshold is selected to distinguish between two fundamentally different defect mechanisms, following the physical size-mechanism boundary established by prior high-resolution synchrotron X-ray characterization of Al6061 LPBF. Distinguishing these classes is critical because large keyhole pores are structurally detrimental, whereas small gas pores are often benign, requiring different process control strategies. Thermal emission monitoring data collected simultaneously with high-speed X-ray imaging at the Stanford Synchrotron Radiation Lightsource (SSRL), are correlated with subsurface melt pool dynamics to establish ground truth. Continuous Wavelet Transform (CWT) with optimized parameters converts the photodiode time-series signals into time–frequency images, facilitating feature extraction. Convolutional Neural Networks (CNN) are then applied for real-time multi-class pore classification in an average inference time of 1 ms per signal window. It achieves 79% accuracy and an Area Under the Receiver Operating Characteristic curve (AUC ROC) score of 0.89 with five-fold cross-validation. The results demonstrate that coupling CWT-based feature engineering with CNN architecture enables reliable multi-class pore detection in Al6061 builds using affordable in-situ sensors. This approach advances scalable and affordable quality assurance in additive manufacturing by moving beyond binary defect detection toward more nuanced classification of porosity mechanisms with in-situ sensors and machine learning.

Laser powder bed fusion, Multi-class pores, In-sit↗

NeuroSymbolic Approaches as a Vector for Assured Artificial Intelligence

The deployment of artificial intelligence systems in critical applications requires higher levels of assurance for safety, security, and interpretability. While neurosymbolic (NESY) approaches combining neural networks with symbolic reasoning offer potential advantages for assured AI, existing differentiable neurosymbolic frameworks face significant limitations including computational overhead and performance constraints. This report investigates the ISED (InferSampleEstimateDescend) framework as an alternative approach that enables neurosymbolic learning without requiring endtoend differentiability. We evaluate ISED’s utility for geointelligence applications by comparing neurosymbolic models against standard neural networks on aircraft classification tasks using the RarePlanes and MTARSI imagery datasets. Our results demonstrate that while ISEDbased models achieve slightly lower accuracy (89.7% vs 92.1% on RarePlanes; 91.1% vs 92.5% on MTARSI), they provide critical explainability capabilities that enable tracing incorrect predictions back to specific attribute misclassifications. We also present an automated pipeline that generates both attributeclass mappings and neurosymbolic model architectures from natural language descriptions, significantly reducing the manual effort required for NESY model deployment. These findings suggest that ISED offers a promising direction for developing assured AI systems where interpretability and reasoning transparency are prioritized alongside performance.

97 MATHEMATICS AND COMPUTING↗

Towards Generalizable and Efficient Circuit Topology Design: A Graph-Transformer-based Surrogate Model with Curriculum Learning

Unlike circuit parameter and sizing optimizations, the automated design of analog circuit topologies poses significant challenges for learning-based approaches. One challenge arises from the combinatorial growth of the topology space with circuit size, which limits the topology optimization efficiency. Moreover, traditional circuit evaluation methods are time-consuming, while the presence of data discontinuity in the topology space makes the accurate prediction of circuit performance exceptionally difficult for unseen topologies. To tackle these challenges, we design a novel Graph-Transformer-based Network (GTN) as the surrogate model for circuit evaluation, offering a substantial acceleration in the speed of circuit topology optimization without sacrificing performance. Our GTN model architecture is designed to embed voltage changes in circuit loops and current flows in connected devices, enabling accurate performance predictions for circuits with unseen topologies. To address the cold start problem when scaling GTN to large-scale circuits, we further introduce a curriculum learning strategy that progressively trains GTN from small-scale to large-scale circuits. This approach enables the model to first learn fundamental physical principles from simpler topologies and gradually adapt to complex configurations, effectively bridging the circuit complexity gap and improving prediction accuracy. Taking the power converter circuit design as an experimental task, our GTN model significantly outperforms an analytical approach and baseline methods directly utilizing graph neural networks. Furthermore, GTN achieves less than 5% relative error and 196× speed-up compared with high-fidelity simulation. Notably, our GTN surrogate model empowers an automatic circuit design framework to discover circuits of comparable quality to those identified through high-fidelity simulation while reducing the time required by up to 98.2%. With curriculum learning, the enhanced GTN achieves a 51% improvement for performance prediction of large-scale circuits compared to the GTN model without this strategy. These advancements establish GTN as a scalable framework for automated analog circuit design across varying circuit complexity levels.

Lu, Haoshu [New Jersey Institute of Technology (NJ↗

A Hardware and Software Co-design Framework for Energy Efficient Neuromorphic Systems

Neuromorphic systems can be realized by a variety of algorithms and architectures. A common understanding is that spiking neuromorphic designs, which encode information into spatio-temporal spiking events, are both a biologically-accurate and efficient way of processing information. However, representing the information through timing relationships induces sophisticated circuit designs in traditional CMOS-based implementations. In recent years, high-capacity resistive memory (RRAM, aka, memristor) has demonstrated great potential in mimicking synaptic behaviors. Several RRAM-based spiking neuromorphic designs exist, most of which focus on rate coding schemes. These designs simplify circuit implementations of neuron models and explore challenges such as unsatisfactory speed, resolution, and performance. As an alternative, we will explore temporal coding spiking neuromorphic systems that encode information as the relative timing of neuron activations (spikes), which have been proven to be more adaptive and energy-efficient. Developing a neuromorphic system for spiking neural network (SNN) inference and online training, however, faces some major technical challenges: (1) It lacks circuit implementation support for temporal-coding SNN to achieve satisfying power efficiency and accuracy; (2) Although existing research works have investigated memristive synapse and neuron designs for spike-timing-dependent plasticity, the non-ideal conditions in implementation, such as device variations and signal degradation, degrade online learning accuracy of large scale systems; and (3) Non-optimized, inter-layer data traffic in SNNs, leads to unnecessary data communication costs. In this project, we plan to address these challenges by a hardware and software co-design framework that incorporates solutions at the circuit, architecture, and algorithm levels. At the circuit-level, we will elaborate on the in-situ SNN processing element designs for supporting both inference and online training modes. Variation-aware schemes will be studied to improve reliability. At the architecture level, we propose a pipelined, asynchronous architecture to retain the timing resolution of spikes. At the algorithm level, we will investigate an innovative SNN training algorithm for enabling activation sparsification and reducing unnecessary data communication costs. This neuromorphic system will provide an effective solution to real-life energy-constrained applications and significantly contribute to the exploration of next-generation high-performance computing systems under the DOE context.

97 MATHEMATICS AND COMPUTING↗

Mesh-based super-resolution of fluid flows with multiscale graph neural networks

A graph neural network (GNN) approach is introduced in this work which enables mesh-based three-dimensional super-resolution of fluid flows. In this framework, the GNN is designed to operate not on the full mesh-based field at once, but on localized meshes of elements (or cells) directly. To facilitate mesh-based GNN representations in a manner similar to spectral (or finite) element discretizations, a baseline GNN layer (termed a message passing layer, which updates local node properties) is modified to account for synchronization of coincident graph nodes, rendering compatibility with commonly used element-based mesh connectivities. Furthermore, the architecture is multiscale in nature, and is comprised of a combination of coarse-scale and fine-scale message passing layer sequences (termed processors) separated by a graph unpooling layer. The coarse-scale processor embeds a query element (alongside a set number of neighboring coarse elements) into a single latent graph representation using coarse-scale synchronized message passing over the element neighborhood, and the fine-scale processor leverages additional message passing operations on this latent graph to correct for interpolation errors. Demonstration studies are performed using hexahedral mesh-based data from Taylor–Green Vortex and backward-facing step flow simulations at Reynolds numbers of 1600 and 3200. Through analysis of both global and local errors, the results ultimately show how the GNN is able to produce accurate super-resolved fields compared to targets in both coarse-scale and multiscale model configurations. Reconstruction errors for fixed architectures were found to increase in proportion to the Reynolds number. Geometry extrapolation studies on a separate cavity flow configuration show promising cross-mesh capabilities of the super-resolution strategy.

Backward-facing step↗

Expert systems and advanced automation for space missions operations

Increased complexity of space missions during the 1980s led to the introduction of expert systems and advanced automation techniques in mission operations. This paper describes several technologies in operational use or under development at the National Aeronautics and Space Administration's Goddard Space Flight Center. Several expert systems are described that diagnose faults, analyze spacecraft operations and onboard subsystem performance (in conjunction with neural networks), and perform data quality and data accounting functions. The design of customized user interfaces is discussed, with examples of their application to space missions. Displays, which allow mission operators to see the spacecraft position, orientation, and configuration under a variety of operating conditions, are described. Automated systems for scheduling are discussed, and a testbed that allows tests and demonstrations of the associated architectures, interface protocols, and operations concepts is described. Lessons learned are summarized.

Durrani, Sajjad H.↗

Train Like a (Var)Pro: Efficient Training of Neural Networks with Variable Projection

Deep neural networks (DNNs) have achieved state-of-the-art performance across a variety of traditional machine learning tasks, e.g., speech recognition, image classification, and segmentation. The ability of DNNs to efficiently approximate high-dimensional functions has also motivated their use in scientific applications, e.g., to solve partial differential equations and to generate surrogate models. In this paper, we consider the supervised training of DNNs, which arises in many of the above applications. We focus on the central problem of optimizing the weights of the given DNN such that it accurately approximates the relation between observed input and target data. Devising effective solvers for this optimization problem is notoriously challenging due to the large number of weights, nonconvexity, data sparsity, and nontrivial choice of hyperparameters. To solve the optimization problem more efficiently, we propose the use of variable projection (VarPro), a method originally designed for separable nonlinear least-squares problems. Our main contribution is the Gauss--Newton VarPro method (GNvpro) that extends the reach of the VarPro idea to nonquadratic objective functions, most notably cross-entropy loss functions arising in classification. These extensions make GNvpro applicable to all training problems that involve a DNN whose last layer is an affine mapping, which is common in many state-of-the-art architectures. In our four numerical experiments from surrogate modeling, segmentation, and classification, GNvpro solves the optimization problem more efficiently than commonly used stochastic gradient descent (SGD) schemes. Finally, GNvpro finds solutions that generalize well, and in all but one example better than well-tuned SGD methods, to unseen data points.

97 MATHEMATICS AND COMPUTING↗

Multichannel meta-imagers for accelerating machine vision

Rapid developments in machine vision technology have impacted a variety of applications, such as medical devices and autonomous driving systems. These achievements, however, typically necessitate digital neural networks with the downside of heavy computational requirements and consequent high energy consumption. As a result, real-time decision-making is hindered when computational resources are not readily accessible. Here we report a meta-imager designed to work together with a digital back end to offload computationally expensive convolution operations into high-speed, low-power optics. Further, in this architecture, metasurfaces enable both angle and polarization multiplexing to create multiple information channels that perform positively and negatively valued convolution operations in a single shot. We use our meta-imager for object classification, achieving 98.6% accuracy in handwritten digits and 88.8% accuracy in fashion images. Owing to its compactness, high speed and low power consumption, our approach could find a wide range of applications in artificial intelligence and machine vision applications.

47 OTHER INSTRUMENTATION↗

Advancing Industry 4.0: Multimodal Sensor Fusion for AI-Based Fault Detection in 3D Printing

Additive manufacturing, particularly fused deposition modeling, is transforming modern production by enabling rapid prototyping and complex part fabrication. However, its layer-by-layer process remains vulnerable to faults such as nozzle clogging, filament runout, and layer misalignment, which compromise print quality and reliability. Traditional inspection methods are costly, time-intensive, and often limited to post-process analysis, making them unsuitable for real-time intervention. In this current study, the authors developed a novel, low-cost, and portable faultdetection system that leverages multimodal sensor fusion and artificial intelligence for real-time monitoring in FDM-based 3D printing. The system integrates acoustic, vibration, and thermal sensing into a non-intrusive architecture, capturing complementary data streams that reflect both mechanical and process-related anomalies. Acoustic and thermal sensors operate in a fully contactless manner, while the vibration sensor requires minimal attachment such that it will not interfere with printer hardware, thereby preserving portability and ease of deployment. The multimodal signals are processed into spectrograms and time-frequency features, which are classified using convolutional neural networks for intelligent fault detection. The proposed system advances Industry 4.0 objectives by offering an affordable, scalable, and practical monitoring solution that improves faultdetection accuracy, reduces waste, and supports sustainable, adaptive manufacturing.

42 ENGINEERING↗

Programmable synaptic devices for electronic neural nets

The architecture, design, and operational characteristics of custom VLSI and thin film synaptic devices are described. The devices include CMOS-based synaptic chips containing 1024 reprogrammable synapses with a 6-bit dynamic range, and nonvolatile, write-once, binary synaptic arrays based on memory switching in hydrogenated amorphous silicon films. Their suitability for embodiment of fully parallel and analog neural hardware is discussed. Specifically, a neural network solution to an assignment problem of combinatorial global optimization, implemented in fully parallel hardware using the synaptic chips, is described. The network's ability to provide optimal and near optimal solutions over a time scale of few neuron time constants has been demonstrated and suggests a speedup improvement of several orders of magnitude over conventional search methods.

Moopenn, A.↗

Bit-serial neuroprocessor architecture

A neuroprocessor architecture employs a combination of bit-serial and serial-parallel techniques for implementing the neurons of the neuroprocessor. The neuroprocessor architecture includes a neural module containing a pool of neurons, a global controller, a sigmoid activation ROM look-up-table, a plurality of neuron state registers, and a synaptic weight RAM. The neuroprocessor reduces the number of neurons required to perform the task by time multiplexing groups of neurons from a fixed pool of neurons to achieve the successive hidden layers of a recurrent network topology.

Tawel, Raoul↗

Geospatial Data Platform for All

Spatiotemporal data has evolved in scale due to augmented use in cross-domain applications. Simultaneously, there is substantial growth in the availability of Geographic Information Systems (GIS) data provided by the United States Geological Survey (USGS) along with other federal, state, county, or local agencies through open-data portals and public access APIs. However, data availability does not equate with accessibility. Large-scale analyses and applications require robust, performant data management with co-location of data storage and computing. The insufficiency of data management infrastructure compels researchers to adopt ad hoc project- specific GIS data storage solutions (e.g., copying data to High-Performance computer file systems). As an ad hoc storage strategy does not scale, it hampers cross-domain analyses causing difficulty in data reuse and utilizing existing code bases. Furthermore, GIS data is complex and requires expertise to analyze and manipulate due to its intricate data structures and data-specific projection transformations. Despite the challenges, we recognize that derived GIS data products, e.g., satellite or LIDAR-based images, can be used in downstream applications such as AI by domain, but non-GIS experts. To address the data needs and overcome the challenges, we are working towards a GIS Data Platform focused on efficient data storage, data discovery and access, and an API to enable common workflows. We propose a knowledge-graph (KG) approach for data discovery, whereby datasets are semantically linked to higher- level constructs such as projects and research areas. The semantic data links enable researchers to explore datasets in a top-down approach by specifying relevant and meaningful terms (assists in finding hidden data). An advantage is that the nodes and edges in a knowledge graph create built-in semantic documentation. Deeper spatiotemporal connections between data sources can be encoded via Graph Neural Networks (GNN) (Zhang et al., 2021). The KG approach can be extended to integrate the data itself in a Virtual KG (VKG). Our work will derive inspiration from large-scale VKG efforts that have been undertaken or are currently underway as part of the OpenStreetMap project (Ding et al., 2021). For DOE Data Days, we share the proposed geospatial data platform hybrid (cloud/on-prem) architecture, our work-to-date on storing, retrieving, and transforming LiDAR and raster data relevant to two important NREL use-cases, including the Renewable Energy Potential (reV) Model, and present our proposal for a KG based data discovery engine.

data platform↗

Exploring the Use of Novel Spatial Accelerators in Scientific Applications

Driven by the need to find alternative accelerators which can viably replace GPUs in next-generation Supercomputing systems, this paper proposes a methodology to enable agile application/hardware co-design. The application-first methodology provides the ability to come up with design of accelerators while working with real-world workloads, available accelerators, and system software. The iterative design process targets a set of kernels in a workload for performance estimates that can prune the design space for later phases of detailed architectural evaluations. To this effect, in this paper, a novel data-parallel device model is introduced that simulates the latency of performance-sensitive operations in an accelerator including data transfers and kernel computation using multi-core CPUs. The use of off-the-shelf simulators, such as pre-RTL simulator Aladdin or multiple tools available for exploring the design of deep neural network accelerators (e.g., Timeloop) is demonstrated for evaluation of various accelerator designs using applications with realistic inputs. Examples of multiple device configurations that are instantiable in a system are explored to evaluate the performance benefit of deploying novel accelerators. The proposed device is integrated with a programming model and system software to potentially explore the impacts of high-level programming languages/compilers and low-level effects such as task scheduling on multiple accelerators. We analyze our methodology for a set of applications that represent high-performance computing (HPC) and graph analytics. The applications include a computational chemistry kernel realized using tensor contractions, triangle counting, GraphSAGE and Breadth-first Search. These applications include kernels such as dense matrix-dense matrix multiplication, sparse matrix-spare matrix multiplication, and sparse matrix-dense vector multiplication. Our results indicate potential performance benefits and insights for system design by including accelerators that realize these kernels along-side general purpose accelerators.

AI, codesign, Accelerated Computing, Modeling and ↗