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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 451 records · Page 25

Ensemble Simulation Techniques and Fast Randomized Algorithms

The major goals of the project were to develop and analyze new ensemble simulation techniques, including trajectory stratification and preconditioned MCMC techniques, as well as develop fast numerical linear algebra techniques closely related to ensemble simulation ideas. The trajectory stratification techniques involve simulating in parallel short trajectory fragments of a Markov process confined to a specific region of space‐time and then patching together the statistics gathered to assemble estimates of very general dynamical properties. We have also developed this approach for rare event simulation and extended the techniques to applications requiring a more general framework (such as electronic structure calculations). The preconditioned MCMC techniques involve simulating multiple Markov chains in parallel and then using information from the ensemble to speed the mixing of each individual chain. The fast randomized linear algebra methods are motivated by the diffusion Monte Carlo technique, but are applicable to finding the dominant eigenvalue of (almost) general matrices. For most non‐negative matrices, the schemes result in an error (compared to the power method) that is constant in the dimension of the problem. For more general matrices, we see a very clear sublinear cost trend in computational tests.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Randomized Federated Learning Methods for Nonsmooth, Nonconvex, and Hierarchical Optimization (Final Technical Report)

This final technical report summarizes the outcomes of a DOE-funded project on federated scientific machine learning (FL) under nonsmooth, nonconvex, and hierarchical optimization settings. The project develops new mathematical models, algorithms, and theoretical guarantees for decentralized stochastic, bilevel, and minimax optimization problems arising in DOE mission-relevant applications. A unified framework of randomized and zeroth-order federated optimization methods is introduced, providing provable convergence, communication efficiency, and sample-complexity guarantees. The report documents algorithmic design, theoretical analysis, and empirical validation of the proposed federated learning methods. The project also contributes to workforce development through graduate training and dissemination of results via publications and seminars.

97 MATHEMATICS AND COMPUTING↗

Reducing Randomized Quantum Algorithm Cost [Slides]

We derive the optimal sampling strategy for minimizing total resource cost in randomized quantum algorithms. Our framework is completely general, allowing for resources as diverse as gate counts circuit depth, runtime, or even dissipated energy.

97 MATHEMATICS AND COMPUTING↗

Physics Informed Reinforcement Learning for Power Grid Control using Augmented Random Search

Wide adoption of deep reinforcement learning need to overcome several challenges in energy system domain, including scalability, learning from limited samples, and high-dimensional continuous state and action spaces. In this paper, we integrated physics-based information from the normal generator operation state formula in the reinforcement learning agent's neural network loss function, and applied an augmented random search agent to optimize the generator control under dynamic contingency. Simulation results demonstrated the reliability performance improvements in training speed, reward convergence, sampling efficiency, scalability, and transferability.

physics informed ML, Physics Informed Neural Netwo↗

Advancements on Multi-Fidelity Random Fourier Neural Networks: Application to Hurricane Modeling for Wind Energy

Multi-fidelity approaches are emerging as effective strategies in computational science to handle otherwise intractable tasks like Uncertainty Quantification (UQ), training of Machine Learning (ML) models, and optimization, for expensive high-fidelity applications in which the amount of available simulations or data is limited. The main idea is simple: large datasets generated for low-fidelity approximations of the problem at hand are fused with a much sparser dataset for the target (high-fidelity) system. In this paper, we build on our recent success in designing random Fourier Neural Networks (rFNNs) [1] to target problems arising in wind energy applications and in particular problems of interest for hurricane modeling. In this context, data for the high-fidelity models are limited and lower fidelity alternatives are needed. In this work, we introduce a novel multi-fidelity training approach for our rFNNs and demonstrate its use on a simple verification problem and on a hurricane modeling problem in which high-fidelity data are generated via Large-Eddy Simulations (LES), while low-fidelity data are given by a mesoscale model. Initial results demonstrate how the multi-fidelity training approach can improve the quality of the resulting surrogate.

Fourier Neural Networks↗

Causal relationship between mitochondrial-associated proteins and cerebral aneurysms: a Mendelian randomization study

Background Cerebral aneurysm is a high-risk cerebrovascular disease with a poor prognosis, potentially linked to multiple factors. This study aims to explore the association between mitochondrial-associated proteins and the risk of cerebral aneurysms using Mendelian randomization (MR) methods. Methods We used GWAS summary statistics from the IEU Open GWAS project for mitochondrial-associated proteins and from the Finnish database for cerebral aneurysms (uIA, aSAH). The association between mitochondrial-associated exposures and cerebral aneurysms was evaluated using MR-Egger, weighted mode, IVW, simple mode and weighted median methods. Reverse MR assessed reverse causal relationship, while sensitivity analyses examined heterogeneity and pleiotropy in the instrumental variables. Significant causal relationship with cerebral aneurysms were confirmed using FDR correction. Results Through MR analysis, we identified six mitochondrial proteins associated with an increased risk of aSAH: AIF1 (OR: 1.394, 95% CI: 1.109–1.752, p = 0.0044), CCDC90B (OR: 1.318, 95% CI: 1.132–1.535, p = 0.0004), TIM14 (OR: 1.272, 95% CI: 1.041–1.553, p = 0.0186), NAGS (OR: 1.219, 95% CI: 1.008–1.475, p = 0.041), tRNA PusA (OR: 1.311, 95% CI: 1.096–1.569, p = 0.003), and MRM3 (OR: 1.097, 95% CI: 1.016–1.185, p = 0.0175). Among these, CCDC90B, tRNA PusA, and AIF1 demonstrated a significant causal relationship with an increased risk of aSAH (FDR q < 0.1). Three mitochondrial proteins were associated with an increased risk of uIA: CCDC90B (OR: 1.309, 95% CI: 1.05–1.632, p = 0.0165), tRNA PusA (OR: 1.306, 95% CI: 1.007–1.694, p = 0.0438), and MRM3 (OR: 1.13, 95% CI: 1.012–1.263, p = 0.0303). In the reverse MR study, only one mitochondrial protein, TIM14 (OR: 1.087, 95% CI: 1.004–1.177, p = 0.04), showed a causal relationship with aSAH. Sensitivity analysis did not reveal heterogeneity or pleiotropy. The results suggest that CCDC90B, tRNA PusA, and MRM3 may be common risk factors for cerebral aneurysms (ruptured and unruptured), while AIF1 and NAGS are specifically associated with an increased risk of aSAH, unrelated to uIA. TIM14 may interact with aSAH. Conclusion Our findings confirm a causal relationship between mitochondrial-associated proteins and cerebral aneurysms, offering new insights for future research into the pathogenesis and treatment of this condition.

Wang, Shuai↗

In situ Parallel Training of Analog Neural Network Using Electrochemical Random-Access Memory

In-memory computing based on non-volatile resistive memory can significantly improve the energy efficiency of artificial neural networks. However, accurate in situ training has been challenging due to the nonlinear and stochastic switching of the resistive memory elements. One promising analog memory is the electrochemical random-access memory (ECRAM), also known as the redox transistor. Its low write currents and linear switching properties across hundreds of analog states enable accurate and massively parallel updates of a full crossbar array, which yield rapid and energy-efficient training. While simulations predict that ECRAM based neural networks achieve high training accuracy at significantly higher energy efficiency than digital implementations, these predictions have not been experimentally achieved. In this work, we train a 3 × 3 array of ECRAM devices that learns to discriminate several elementary logic gates (AND, OR, NAND). We record the evolution of the network’s synaptic weights during parallel in situ (on-line) training, with outer product updates. Due to linear and reproducible device switching characteristics, our crossbar simulations not only accurately simulate the epochs to convergence, but also quantitatively capture the evolution of weights in individual devices. The implementation of the first in situ parallel training together with strong agreement with simulation results provides a significant advance toward developing ECRAM into larger crossbar arrays for artificial neural network accelerators, which could enable orders of magnitude improvements in energy efficiency of deep neural networks.

97 MATHEMATICS AND COMPUTING↗

Using iterative random forest to find geospatial environmental and Sociodemographic predictors of suicide attempts

Despite a recent global decrease in suicide rates, death by suicide has increased in the United States. It is therefore imperative to identify the risk factors associated with suicide attempts to combat this growing epidemic. In this study, we aim to identify potential risk factors of suicide attempt using geospatial features in an Artificial intelligence framework. We use iterative Random Forest, an explainable artificial intelligence method, to predict suicide attempts using data from the Million Veteran Program. This cohort incorporated 405,540 patients with 391,409 controls and 14,131 attempts. Our predictive model incorporates multiple climatic features at ZIP-code-level geospatial resolution. We additionally consider demographic features from the American Community Survey as well as the number of firearms and alcohol vendors per 10,000 people to assess the contributions of proximal environment, access to means, and restraint decrease to suicide attempts. In total 1,784 features were included in the predictive model. Our results show that geographic areas with higher concentrations of married males living with spouses are predictive of lower rates of suicide attempts, whereas geographic areas where males are more likely to live alone and to rent housing are predictive of higher rates of suicide attempts. We also identified climatic features that were associated with suicide attempt risk by age group. Additionally, we observed that firearms and alcohol vendors were associated with increased risk for suicide attempts irrespective of the age group examined, but that their effects were small in comparison to the top features. Taken together, our findings highlight the importance of social determinants and environmental factors in understanding suicide risk among veterans.

60 APPLIED LIFE SCIENCES↗

Spatiotemporal Downscaling Model for Solar Irradiance Forecast Using Nearest-Neighbor Random Forest and Gaussian Process

Accurate solar photovoltaic (PV) capacity estimation requires high-resolution, site-specific solar irradiance data to account for localized variability. However, global datasets, such as the National Solar Radiation Database (NSRDB), provide regional averages that fail to capture the fine-scale fluctuations critical for large-scale grid integration. This limitation is particularly relevant in the context of increasing distributed energy resources (DERs) penetration, such as rooftop PV. Additionally, it is critical to the implementation of the U.S. Federal Energy Regulatory Commission (FERC) Order 2222, which facilitates DER participation in U.S. bulk power markets. To address this challenge, this study evaluates Nearest-Neighbor Random Forest (NNRF) and Nearest-Neighbor Gaussian Process (NNGP) models for spatiotemporal downscaling of global solar irradiance data. By leveraging historical irradiance and meteorological data, these models incorporate spatial, temporal, and feature-based correlations to enhance local irradiance predictions. The NNRF model, a machine-learning approach, prioritizes computational efficiency and predictive accuracy, while the NNGP model offers a level of interpretability and prediction uncertainty by numerically quantifying correlations and dependencies in the data. Model validation was conducted using day-ahead predictions. The results showed that the average Goodness of Fit (GoF) of the NNRF model of 90.61% across all eight sites outperformed the GoF of the NNGP of 85.88%. Additionally, the computational speed of NNRF was 2.5 times faster than the NNGP. Finally, the NNGP displayed polynomial scaling while the NNRF scaled linearly with increasing number of nearest neighbors. Additional validation of the model on five sites in Puerto Rico further confirmed the superiority of the NNRF model over the NNGP model. These findings highlight the robustness and computational efficiency of NNRF for large-scale solar irradiance downscaling, making it a strong candidate for improving PV capacity estimation and real-time electricity market integration for DERs.

Asiedu, Shadrack (ORCID:0009000646004826)↗

Effect of Random Nanostructured Metallic Environments on Spontaneous Emission of HITC Dye

We have studied emission kinetics of HITC laser dye on top of glass, smooth Au films, and randomly structured porous Au nanofoams. The observed concentration quenching of luminescence of highly concentrated dye on top of glass (energy transfer to acceptors) and the inhibition of the concentration quenching in vicinity of smooth Au films were in accord with our recent findings. Intriguingly, the emission kinetics recorded in different local spots of the Au nanofoam samples had a spread of the decay rates, which was large at low dye concentrations and became narrower with increase of the dye concentration. We infer that in different subvolumes of Au nanofoams, HITC molecules are coupled to the nanofoams weaker or stronger. The inhibition of the concentration quenching in Au nanofoams was stronger than on top of smooth Au films. This was true for all weakly and strongly coupled subvolumes contributing to the spread of the emission kinetics. The experimental observations were explained using theoretical model accounting for change in the Förster radius caused by the strong energy transfer to metal.

36 MATERIALS SCIENCE↗

The Specific Carbohydrate Diet and Diet Modification as Induction Therapy for Pediatric Crohn’s Disease: A Randomized Diet Controlled Trial

Background: Crohn’s disease (CD) is a chronic inflammatory intestinal disorder associated with intestinal dysbiosis. Diet modulates the intestinal microbiome and therefore has a therapeutic potential. The aim of this study is to determine the potential efficacy of three versions of the specific carbohydrate diet (SCD) in active Crohn’s Disease. Methods: 18 patients with mild/moderate CD (PCDAI 15–45) aged 7 to 18 years were enrolled. Patients were randomized to either SCD, modified SCD(MSCD) or whole foods (WF) diet. Patients were evaluated at baseline, 2, 4, 8 and 12 weeks. PCDAI, inflammatory labs and multi-omics evaluations were assessed. Results: Mean age was 14.3 ± 2.9 years. At week 12, all participants (n = 10) who completed the study achieved clinical remission. The C-reactive protein decreased from 1.3 ± 0.7 at enrollment to 0.9 ± 0.5 at 12 weeks in the SCD group. In the MSCD group, the CRP decreased from 1.6 ± 1.1 at enrollment to 0.7 ± 0.1 at 12 weeks. In the WF group, the CRP decreased from 3.9 ± 4.3 at enrollment to 1.6 ± 1.3 at 12 weeks. In addition, the microbiome composition shifted in all patients across the study period. While the nature of the changes was largely patient specific, the predicted metabolic mode of the organisms increasing and decreasing in activity was consistent across patients. Conclusions: This study emphasizes the impact of diet in CD. Each diet had a positive effect on symptoms and inflammatory burden; the more exclusionary diets were associated with a better resolution of inflammation.

60 APPLIED LIFE SCIENCES↗

A Random Forest Approach to Identifying Young Stellar Object Candidates in the Lupus Star-forming Region

The identification and characterization of stellar members within a star-forming region are critical to many aspects of star formation, including formalization of the initial mass function, circumstellar disk evolution, and star formation history. Previous surveys of the Lupus star-forming region have identified members through infrared excess and accretion signatures. We use machine learning to identify new candidate members of Lupus based on surveys from two space-based observatories: ESA’s Gaia and NASA’s Spitzer. Astrometric measurements from Gaia's Data Release 2 and astrometric and photometric data from the Infrared Array Camera on the Spitzer Space Telescope, as well as from other surveys, are compiled into a catalog for the random forest (RF) classifier. The RF classifiers are tested to find the best features, membership list, non-membership identification scheme, imputation method, training set class weighting, and method of dealing with class imbalance within the data. We list 27 candidate members of the Lupus star-forming region for spectroscopic follow-up. Most of the candidates lie in Clouds V and VI, where only one confirmed member of Lupus was previously known. These clouds likely represent a slightly older population of star formation.

79 ASTRONOMY AND ASTROPHYSICS↗

Modeling and simulations of hydrodynamic shocks in a plasma flowing across randomized ICF scale laser beams

High-energy laser beams interacting with flowing plasmas can produce a plasma response that leads to deflection of the beam, beam bending. Such beams have usually a speckle structure generated by optical smoothing techniques that reduce the spatial and temporal coherence in the laser field pattern. The cumulative plasma response from laser speckles slows down the velocity of the incoming flow by momentum conservation. For slightly super-sonic flow the cumulative plasma response to the ponderomotive force exerted by the beam speckle ensemble is the strongest, such that slowing down the flow to subsonic velocities leads eventually to the generation of a shock around the cross section of the beam. This scenario has been predicted theoretically and is confirmed here by our hydrodynamic simulations in two dimensions with speckled beams and in one dimension with a reduced model. The conditions of shock generation are given in terms of the ponderomotive pressure, speckle size and the flow velocity. The nonlinear properties of the shocks are analyzed using Rankine–Hugoniot relations. According to linear theory, temporally smoothed laser beams exhibit a higher threshold for shock generation. Numerical simulations with beams that are smoothed by spectral dispersion compare well with the linear theory results, diverging from those produced by beams with only a random phase plates in the nonlinear regime. The conditions necessary for shock generation and their effects on the laser plasma coupling in inertial confinement fusion (ICF) experiments are also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A randomized multiplex CRISPRi-Seq approach for the identification of critical combinations of genes

Identifying virulence-critical genes from pathogens is often limited by functional redundancy. To rapidly interrogate the contributions of combinations of genes to a biological outcome, we have developed a mu ltiplex, r andomized C RISPR i nterference s equencing (MuRCiS) approach. At its center is a new method for the randomized self-assembly of CRISPR arrays from synthetic oligonucleotide pairs. When paired with PacBio long-read sequencing, MuRCiS allowed for near-comprehensive interrogation of all pairwise combinations of a group of 44 Legionella pneumophila virulence genes encoding highly conserved transmembrane proteins for their role in pathogenesis. Both amoeba and human macrophages were challenged with L. pneumophila bearing the pooled CRISPR array libraries, leading to the identification of several new virulence-critical combinations of genes. lpg2888 and lpg3000 were particularly fascinating for their apparent redundant functions during L. pneumophila human macrophage infection, while lpg3000 alone was essential for L. pneumophila virulence in the amoeban host Acanthamoeba castellanii . Thus, MuRCiS provides a method for rapid genetic examination of even large groups of redundant genes, setting the stage for application of this technology to a variety of biological contexts and organisms.

59 BASIC BIOLOGICAL SCIENCES↗

A randomized multiplex CRISPRi-Seq approach for the identification of critical combinations of genes

Identifying virulence-critical genes from pathogens is often limited by functional redundancy. To rapidly interrogate the contributions of combinations of genes to a biological outcome, we have developed a mu ltiplex, r andomized C RISPR i nterference s equencing (MuRCiS) approach. At its center is a new method for the randomized self-assembly of CRISPR arrays from synthetic oligonucleotide pairs. When paired with PacBio long-read sequencing, MuRCiS allowed for near-comprehensive interrogation of all pairwise combinations of a group of 44 Legionella pneumophila virulence genes encoding highly conserved transmembrane proteins for their role in pathogenesis. Both amoeba and human macrophages were challenged with L. pneumophila bearing the pooled CRISPR array libraries, leading to the identification of several new virulence-critical combinations of genes. lpg2888 and lpg3000 were particularly fascinating for their apparent redundant functions during L. pneumophila human macrophage infection, while lpg3000 alone was essential for L. pneumophila virulence in the amoeban host Acanthamoeba castellanii . Thus, MuRCiS provides a method for rapid genetic examination of even large groups of redundant genes, setting the stage for application of this technology to a variety of biological contexts and organisms.

Ellis, Nicole A. (ORCID:0000000195928415)↗

Quantum random number generator

A system and method according to one embodiment are provided for random number generation based on measuring quadrature fluctuations of a single mode thermal state using an optical homodyne detector.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Hyperuniform and nearly hyperuniform random network materials

This invention is in the field of physical chemistry and relates to novel hyperuniform and nearly hyperuniform random network materials and methods of making said materials. Methods are described for controlling or altering the band gap of a material, and in particular commercially useful materials such as amorphous silicon. These methods can be exploited in the design of semiconductors, transistors, diodes, solar cells and the like.

36 MATERIALS SCIENCE↗