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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 523 records · Page 29

Distributed Generation Market Demand (dGen) model

The Distributed Generation Market Demand (dGen) model simulates customer adoption of distributed energy resources (DERs) for residential, commercial, and industrial entities in the United States or other countries through 2050. The dGen model can be used for identifying the sectors, locations, and customers for whom adopting DERs would have a high economic value, for generating forecasts as an input to estimate distribution hosting capacity analysis, integrated resource planning, and load forecasting, and for understanding the economic or policy conditions in which DER adoption becomes viable, and for illustrating sensitivity to market and policy changes such as retail electricity rate structures, net energy metering, and technology costs.

Array↗

Generative large language models for predictive maintenance planning

Maintenance planning and the generation of necessary components for tasks can prove time-consuming and complex. Automating the creation of recurring or similar tasks by leveraging previous planning packages and data, while uncovering insights to automate planning package generation, presents an opportunity to conserve valuable time and resources. This work aims to harness the textual and probabilistic capabilities of large language models (LLMs) to automate the generation of planning packages. Utilizing diverse data sources ranging from raw data to handwritten text, both singular and collaborative LLMs are trained and tested. Results demonstrate their capability to generate essential planning package components, effectively replicating the statistical patterns in the data. This demonstrates the use of these tools inside a digital asset for automated planning. This work outlines a methodology for constructing datasets, a training suite, and evaluation methods for LLM-based textual and conversational planning tools utilized in an asset digital twin. Results indicate that the fine-tuned models generate estimated planning information within the statistical ranges observed in real maintenance data. The models achieve high accuracy (>90%) in document question-answering and instruction generation tasks. Furthermore, the conversational retrieval-augmented generation (RAG) assistant system achieves 100% document retrieval accuracy, while conversational information capture exceeds 98% across the majority of work-package assistant modules.

97 MATHEMATICS AND COMPUTING↗

Progress towards a model to describe jet/aerodynamic-surface interference effects

A first generation model is presented which relates the pressure distribution on an aerodynamic surface to properties of the jet plume. The characteristics of a jet in a cross flow are of primary importance in determining the pressure distribution on the aerodynamic surface and are assumed to be (1) a pair of contrasting vortices associated with a jet in a crossflow, (2) entrainment of crossflow fluid into the jet plume, and (3) a wake region near the aerodynamic surface and extending downstream from the jet orifice. The model is applied to the configuration of a round jet exhausting perpendicularly through a flat plate into a uniform crossflow for a range of jet-to-crossflow velocity ratios from three to ten. It is demonstrated that the model is capable of describing the measured pressure distribution on the flat plate with model parameters that are compatable with the incomplete description of the vortex pair that is available. The fore and moments on one plate are presented as functions of jet-to-crossflow velocity ratios.

Fearn, R. L.↗

A Survey of Machine Learning-Based Physics Event Generation

Event generators in high-energy nuclear and particle physics play an important role in facilitating studies of particle reactions. We survey the state of the art of machine learning (ML) efforts at building physics event generators. We review ML generative models used in ML-based event generators and their specific challenges, and discuss various approaches of incorporating physics into the ML model designs to overcome these challenges. Finally, we explore some open questions related to super-resolution, fidelity, and extrapolation for physics event generation based on ML technology.

Alanazi, Yasir↗

Artificial intelligence tools for enzyme engineering and metabolic engineering

Enzyme engineering and metabolic engineering drive innovation in energy biotechnology. In recent years, artificial intelligence (AI) has supported successful applications in designing effective enzymes and productive microbial cell factories. This review summarizes recent advances in enzyme redesign using protein language models, de novo enzyme design with generative models, and AI tools for engineering metabolism and related cellular phenotypes. Across these areas, AI models are shifting from single modality inputs to integrated representations of protein function, metabolic pathways, and cell states. We emphasize that unifying the diverse data representations across scales will be necessary for advancements in energy biotechnology.

Volk, Michael [Univ. of Illinois at Urbana-Champai↗

Extension of the sasCIF format and its applications for data processing and deposition

Recent advances in small-angle scattering (SAS) experimental facilities and data analysis methods have prompted a dramatic increase in the number of users and of projects conducted, causing an upsurge in the number of objects studied, experimental data available and structural models generated. To organize the data and models and make them accessible to the community, the Task Forces on SAS and hybrid methods for the International Union of Crystallography and the Worldwide Protein Data Bank envisage developing a federated approach to SAS data and model archiving. Within the framework of this approach, the existing databases may exchange information and provide independent but synchronized entries to users. At present, ways of exchanging information between the various SAS databases are not established, leading to possible duplication and incompatibility of entries, and limiting the opportunities for data-driven research for SAS users. In this work, a solution is developed to resolve these issues and provide a universal exchange format for the community, based on the use of the widely adopted crystallographic information framework (CIF). The previous version of the sasCIF format, implemented as an extension of the core CIF dictionary, has been available since 2000 to facilitate SAS data exchange between laboratories. The sasCIF format has now been extended to describe comprehensively the necessary experimental information, results and models, including relevant metadata for SAS data analysis and for deposition into a database. Processing tools for these files ( sasCIFtools ) have been developed, and these are available both as standalone open-source programs and integrated into the SAS Biological Data Bank, allowing the export and import of data entries as sasCIF files. Software modules to save the relevant information directly from beamline data-processing pipelines in sasCIF format are also developed. Lastly, this update of sasCIF and the relevant tools are an important step in the standardization of the way SAS data are presented and exchanged, to make the results easily accessible to users and to promote further the application of SAS in the structural biology community.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Parameter Estimator for Engineering Systems

This software model generates vehicle parameter sets for downstream modeling applications using real-world data. Value to users is provided through improvements to modeling activities as a result of decreases in time taken during model development and validation. Currently configured for transportation modeling activities, the software provides initial estimates for multiple fundamental vehicle parameters including mass, coefficient of drag, and tire rolling resistance using real-world drive and duty cycle information as inputs.

Source record↗

PEES (Parameter Estimator for Engineering Systems) [SWR-16-38]

This software model generates vehicle parameter sets for downstream modeling applications using real-world data. Value to users is provided through improvements to modeling activities as a result of decreases in time taken during model development and validation. Currently configured for transportation modeling activities, the software provides initial estimates for multiple fundamental vehicle parameters including mass, coefficient of drag, and tire rolling resistance using real-world drive and duty cycle information as inputs.

Miller, Eric↗

Evaluating and Explaining Natural Language Generation with GenX

Current methods for evaluation of natural language generation models focus on measuring text quality but fail to probe the model creativity, i.e., its ability to generate novel but coherent text sequences not seen in the training corpus. We present the GenX tool which is designed to enable interactive exploration and explanation of natural language generation outputs with a focus on the detection of memorization. We demonstrate the utility of the tool on two domain-conditioned generation use cases - phishing emails and ACL abstracts.

Duskin, Kayla R.↗

Modeling of vortex generated sound in solid propellant rocket motors

There is considerable evidence based on both full scale firings and cold flow simulations that hydrodynamically unstable shear flows in solid propellant rocket motors can lead to acoustic pressure fluctuations of significant amplitude. Although a comprehensive theoretical understanding of this problem does not yet exist, procedures were explored for generating useful analytical models describing the vortex shedding phenomenon and the mechanisms of coupling to the acoustic field in a rocket combustion chamber. Since combustion stability prediction procedures cannot be successful without incorporation of all acoustic gains and losses, it is clear that a vortex driving model comparable in quality to the analytical models currently employed to represent linear combustion instability must be formulated.

Flandro, G. A.↗

Transition mixing study empirical model report

The empirical model developed in the NASA Dilution Jet Mixing Program has been extended to include the curvature effects of transition liners. This extension is based on the results of a 3-D numerical model generated under this contract. The empirical model results agree well with the numerical model results for all tests cases evaluated. The empirical model shows faster mixing rates compared to the numerical model. Both models show drift of jets toward the inner wall of a turning duct. The structure of the jets from the inner wall does not exhibit the familiar kidney-shaped structures observed for the outer wall jets or for jets injected in rectangular ducts.

Srinivasan, R.↗

Ground evaluation of seeding an in-flight wingtip vortex using infrared imaging flow visualization technique

An experimental simulation of an in-flight wingtip vortical flow visualization technique uses infrared imaging to observe strong and concentrated vortices. This experiment is phase 1 of a two-phase infrared evaluation program. The system includes a vortex generator (model 320 Vortec Vortex Tube) which generates the required vortex. The mouth of the unit is mounted close to the free end of a half-inch diameter, sixteen and a half foot long stainless steel tubing (sized after tubing currently installed in the wings of an experimental Beechcraft Sundowner 180 aircraft). Dichloro difluoromethane (Freon-12) is entrained into the generated vortex. A breakdown of the vortices is indicated by the rapid diffusion and the resulting pattern is tracked using the infrared imager and video systems. Flow rates (volume and mass) are estimated at the laboratory and proposed flight conditions. The nominal flight altitude is expected to be 2500 feet.

Akinyanju, Ted↗

Generative Vulnerability Assessment for Cyber-Physical Systems

Cyber-physical systems (CPS) are highly susceptible to malicious attacks due to their complex dynamics and interconnectivity. A comprehensive understanding of their vulnerabilities is essential for designing effective resilience measures. This paper presents a data-driven attack generative system for evaluating the vulnerability of CPS. The proposed approach formulates the vulnerability assessment problem as determining the feasibility of a specific attack set based on two boundary functions that represent the effectiveness and stealthiness of attacks. The attack generative model is trained using a custom loss function, with two universal approximators designed to learn the effectiveness and stealthiness functions simultaneously. Theoretical results for successful generation and asymptotic convergence of the resulting training algorithm are given. As a result, the proposed approach is evaluated via numerical simulation of an IEEE 14-bus system and gas pipeline systems, demonstrating its viability in learning how to attack nonlinear CPS and identify potential vulnerabilities.

Computer systems organization↗

3D_MolGNN_RL

3D-MolGNNRL, couples reinforcement learning (RL) to a deep generative model based on 3D-Scaffold to generate target candidates specific to a protein pocket building up atom by atom from the core scaffold. 3D-MolGNNRL provides an efficient way to optimize key features within a protein pocket using a parallel graph neural network model. The agent learns to build molecules in 3D space while optimizing the binding affinity, potency, and synthetic accessibility of the candidates generated for the SARS-CoV-2 Main protease

Kumar, Neeraj↗

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↗

Automatic mathematical modeling for real time simulation system

A methodology for automatic mathematical modeling and generating simulation models is described. The models will be verified by running in a test environment using standard profiles with the results compared against known results. The major objective is to create a user friendly environment for engineers to design, maintain, and verify their model and also automatically convert the mathematical model into conventional code for conventional computation. A demonstration program was designed for modeling the Space Shuttle Main Engine Simulation. It is written in LISP and MACSYMA and runs on a Symbolic 3670 Lisp Machine. The program provides a very friendly and well organized environment for engineers to build a knowledge base for base equations and general information. It contains an initial set of component process elements for the Space Shuttle Main Engine Simulation and a questionnaire that allows the engineer to answer a set of questions to specify a particular model. The system is then able to automatically generate the model and FORTRAN code. The future goal which is under construction is to download the FORTRAN code to VAX/VMS system for conventional computation. The SSME mathematical model will be verified in a test environment and the solution compared with the real data profile. The use of artificial intelligence techniques has shown that the process of the simulation modeling can be simplified.

Wang, Caroline↗

Quantum-Assisted Variational Segmentation for Image-to-Image Wildfire Detection Using Satellite Data

The quantum computing community has been searching for suitable applications to demonstrate the potential of near-term quantum devices. Quantum machine learning is a potential candidate, particularly using models that cannot be efficiently simulated with classical computers [1, 2]. This work focuses on a transition phase of quantum computers where the quantum machine learning model is still simulable classically but projected not to be simulable as the size of the model grows. Ultimately quantum computers may have advantages for high-dimensional real-world problems. Due to the limited number of qubits in current noisy intermediate-scale quantum (NISQ) devices, the direct application of quantum computers in high dimensional data is not feasible. To remedy this problem, an encoder-decoder architecture can be utilized. The encoder model would transform the high-dimensional data into a compact representation, to a level that small quantum computers can be used today (or in the near future), and the decoder would take the quantum processed outputs back to the high-dimensional space. Addressing the two challenges of quantum machine learning, this work investigates a hybrid supervised generative model with a quantum Ising Born machine embedded as the latent distribution. The model contains four main parts (Figure 1.a.): (1) a U-NET architecture responsible for learning segmentation flow, (2) a Prior network responsible for learning an encoded latent distribution of the input data, (3) a Born machine which represents the latent distribution, and (4) a Posterior network in charge of learning the joint encoded latent distribution of inputs and target data. The initial model, proposed by [3], is optimized by (1) maximizing the overlap of the prior and posterior latent distributions, and (2) minimizing the segmentation loss. The proposed model is designed to be investigated in a simulation environment applied to the real-world application of wildfire segmentation. Specifically, the model is designed to solve the patchy wildfire segmentations of Moderate Resolution Imaging Spectroradiometer (MODIS) by taking the MODIS observations and using Visible Infrared Imaging Radiometer Suite’s (VIIRS) consistent wildfire product as the target. The model solves patchy wildfire segmentations and provides insight into the epistemic errors sourced from model variation. The model utilizes the Born machine as a QUBO solver to represent the latent space as a Bernoulli distribution. The proposed configuration allows the variational segmentation model to leverage the true quantum probabilistic nature and derive a more expressive latent configuration, increasing the model performance in describing wildfire segmentations. The quantum probabilistic information of the Born machine is directly incorporated in the Kullback-Leibler divergence loss in the prior and posterior distributions, forcing the Bernoulli latent distribution to maximize the overlap of input and joint input-target distributions. The proposed model is then trained and compared with a baseline only consisting of direct Bernoulli latent distribution with no Born machine representing the latent space. The models are evaluated based on the segmentation metrics, such as precision, recall, intersect of union, with uncertainty boundaries accounting for the stochastic nature of the model. Our findings show that even in low latent-dimensional space (due to the limit in computational power of the classical quantum simulator), we are able to effectively capture the latent representation and hence the model performs better than the baseline. The findings are a projection for scaling the model into higher dimensional latent space with the Born machine surpassing the baseline performance. Figure 1. Sub-figure (a) demonstrates the architecture for the training phase. The model consists of a Prior and Posterior network that encode inputs and joint input-target data into compact representations, respectively. The Born machine represents the latent distribution, and the U-NET branch learns the segmentation patterns of the data. The stochasticity is introduced to the U-NET through its last layer to create meaningful but stochastic segmentations. Sub-figure (b) represents the inference phase where the model takes the stochastic behavior from the prior network and injects that into the U-NET. Each attempt of inference will generate different but similar segmentations from the same distribution of the wildfire event. REFERENCES [1] Coyle, B., Mills, D., Danos, V., & Kashefi, E. (2020). The Born supremacy: quantum advantage and training of an Ising Born machine. npj Quantum Information, 6(1), 1-11. [2] Liu, J. G., & Wang, L. (2018). Differentiable learning of quantum circuit born machines. Physical Review A, 98(6), 062324. [3] Kohl, S., Romera-Paredes, B., Meyer, C., De Fauw, J., Ledsam, J. R., Maier-Hein, K., ... & Ronneberger, O. (2018). A probabilistic u-net for segmentation of ambiguous images. Advances in neural information processing systems, 31.

quantum machine learning↗

DOLCE: A Model-Based Probabilistic Diffusion Framework for Limited-Angle CT Reconstruction

Limited-Angle Computed Tomography (LACT) is a non-destructive evaluation technique used in a variety of applications ranging from security to medicine. The limited angle coverage in LACT is often a dominant source of severe artifacts in the reconstructed images, making it a challenging inverse problem. We present DOLCE, a new deep model-based framework for LACT that uses a conditional diffusion model as an image prior. Diffusion models are a recent class of deep generative models that are relatively easy to train due to their implementation as image denoisers. DOLCE can form high-quality images from severely under-sampled data by integrating data-consistency updates with the sampling updates of a diffusion model, which is conditioned on the transformed limited-angle data. We show through extensive experimentation on several challenging real LACT datasets that, the same pre-trained DOLCE model achieves the SOTA performance on drastically different types of images. Additionally, we show that, unlike standard LACT reconstruction methods, DOLCE naturally enables the quantification of the reconstruction uncertainty by generating multiple samples consistent with the measured data.

Kim, Hyojin↗