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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 217 records · Page 12

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↗

Learning Optimal Multigrid Smoothers via Neural Networks

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

97 MATHEMATICS AND COMPUTING↗

Predicting ptychography probe positions using single-shot phase retrieval neural network

Ptychography is a powerful imaging technique that is used in a variety of fields, including materials science, biology, and nanotechnology. However, the accuracy of the reconstructed ptychography image is highly dependent on the accuracy of the recorded probe positions which often contain errors. These errors are typically corrected jointly with phase retrieval through numerical optimization approaches. When the error accumulates along the scan path or when the error magnitude is large, these approaches may not converge with satisfactory result. We propose a fundamentally new approach for ptychography probe position prediction for data with large position errors, where a neural network is used to make single-shot phase retrieval on individual diffraction patterns, yielding the object image at each scan point. The pairwise offsets among these images are then found using a robust image registration method, and the results are combined to yield the complete scan path by constructing and solving a linear equation. We show that our method can achieve good position prediction accuracy for data with large and accumulating errors on the order of 10 2 pixels, a magnitude that often makes optimization-based algorithms fail to converge. For ptychography instruments without sophisticated position control equipment such as interferometers, our method is of significant practical potential.

47 OTHER INSTRUMENTATION↗

Learning Provably Stable Local Volt/Var Controllers for Efficient Network Operation

Here this paper develops a data-driven framework to synthesize local Volt/Var control strategies for distributed energy resources (DERs) in power distribution grids (DGs). Aiming to improve DG operational efficiency, as quantified by a generic optimal reactive power flow (ORPF) problem, we propose a two-stage approach. The first stage involves learning the manifold of optimal operating points determined by an ORPF instance. To synthesize local Volt/Var controllers, the learning task is partitioned into learning local surrogates (one per DER) of the optimal manifold with voltage input and reactive power output. Since these surrogates characterize efficient DG operating points, in the second stage, we develop local control schemes that steer the DG to these operating points. We identify the conditions on the surrogates and control parameters to ensure that the locally acting controllers collectively converge, in a global asymptotic sense, to a DG operating point agreeing with the local surrogates. We use neural networks to model the surrogates and enforce the identified conditions in the training phase. AC power flow simulations on the IEEE 37-bus network empirically bolster the theoretical stability guarantees obtained under linearized power flow assumptions. The tests further highlight the optimality improvement compared to prevalent benchmark methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Decentralized Schemes with Overlap for Solving Graph-Structured Optimization Problems

We present a new algorithmic paradigm for the decentralized solution of graph-structured optimization problems that arise in the estimation and control of network systems. A key and novel design concept of the proposed approach is that it uses overlapping subdomains to promote and accelerate convergence. We show that the algorithm converges if the size of the overlap is sufficiently large and that the convergence rate improves exponentially with the size of the overlap. The proposed approach provides a bridge between fully decentralized and centralized architectures and is flexible in that it enables the implementation of asynchronous schemes, handling of constraints, and balancing of computing, communication, and data privacy needs. The proposed scheme is tested in an estimation problem for a 9241-node power network and we show that it outperforms the alternating direction method of multipliers.

asynchronous↗

The role of simulation in the design of a neural network chip

An iterative, simulation-based design procedure for a neural network chip is introduced. For this design procedure, the goal is to produce a chip layout for a neural network in which the weights are determined by transistor gate width-to-length ratios. In a given iteration, the current layout is simulated using the circuit simulator SPICE, and layout adjustments are made based on conventional gradient-decent methods. After the iteration converges, the chip is fabricated. Monte Carlo analysis is used to predict the effect of statistical fabrication process variations on the overall performance of the neural network chip.

Desai, Utpal↗

Mixed Precision Fermi-Operator Expansion on Tensor Cores from a Machine Learning Perspective

Here we present a second-order recursive Fermi-operator expansion scheme using mixed precision floating point operations to perform electronic structure calculations using tensor core units. A performance of over 100 teraFLOPs is achieved for half-precision floating point operations on Nvidia’s A100 tensor core units. The second-order recursive Fermi-operator scheme is formulated in terms of a generalized, differentiable deep neural network structure, which solves the quantum mechanical electronic structure problem. We demonstrate how this network can be accelerated by optimizing the weight and bias values to substantially reduce the number of layers required for convergence. We also show how this machine learning approach can be used to optimize the coefficients of the recursive Fermi-operator expansion to accurately represent the fractional occupation numbers of the electronic states at finite temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A multifunctional sesquiterpene synthase integrates with cytochrome P450s to reinforce the terpenoid defense network in maize

Terpenoids, the largest and most structurally diverse class of plant natural products, play essential roles in maize defense and ecological interactions. In this study, we identified and functionally characterized a sesquiterpenoid-based defense pathway in maize centered on α-santalenoic acid, a pathogen-inducible sesquiterpenoid antibiotic. Using a combination of metabolite-based genome-wide association studies (mGWAS), linkage mapping, and heterologous expression assays, we identified ZmTPS9 as a multiproduct terpene synthase that primarily produces α-santalene and β-bisabolene. Sequence analysis and site-directed mutagenesis revealed that threonine at position 413 is critical for enzyme activity, with its deletion resulting in a complete loss of enzyme activity. The sesquiterpene hydrocarbons produced by ZmTPS9 are further oxidized by three cytochrome P450 monooxygenases, ZmCYP71Z16, ZmCYP71Z18, and ZmCYP71Z19, to yield antimicrobial metabolites including α-santalenoic acid, zealexin D1 (ZD1), and zealexin D2 (ZD2). Together, these findings demonstrate a convergent biosynthetic strategy in maize, where multiproduct terpene synthases and promiscuous P450s collaboratively generate a flexible and robust terpenoid defense network.

a-santalenoic acid↗

Toward prediction of turbulent atmospheric flows over propagating oceanic waves via machine-learning augmented large-eddy simulation

Wind-wave interactions have important effects on the energy harvesting of offshore wind farms. High-fidelity large-eddy simulation (LES) is a powerful approach for investigating wind-wave interactions in turbulent oceanic environments. Due to the large scale of the flow domain and the high grid resolution required to resolve multi-scale flow motions, however, brute-force LES of wind-wave interactions is computationally very expensive. We propose augmenting brute-force LES via machine-learning data-driven modeling (ML-LES) to dramatically reduce the computational time required to obtain converged turbulence statistics when the brute-force approach is employed. Namely, we employ a convolutional neural network (CNN) autoencoder trained and validated with LES data sets to develop a highly efficient ML-LES approach for computing turbulence statistics from just a few snapshots of instantaneous LES flow fields. Further, our results demonstrate the accuracy and efficiency of ML-LES in predicting the mean velocity, velocity fluctuations, and turbulence kinetic energy in highly stretched computational grid systems required to carry out simulations in real-life oceanic environments.

42 ENGINEERING↗

Strain accumulation in the Santa Barbara Channel - 1970-1988

Geodetic observations between 1970 and 1988 indicate appreaciable strain accumulation in the Santa Barbara Channel, California. Eleven line-length changes from a six-station geodetic network spanning the eastern two-thirds of the channel were determined from electronic distance measurements in 1970/1971 and Global Positioning System observations in 1987/1988. Within this network the strains observed are spatially nonuniform. In the easternmost channel the strain is nearly uniaxial, with convergence of 6.4 +/- 0.9 mm/yr oriented N 25 deg E +/- 5 deg; this direction is consistent with the seismicity, which is dominated by thrust mechanisms with P axes directed to the northeast. In the central channel the strain is less well determined, but appears to include a significant component of shear that is left-lateral when resolved on an east-west plane.

Larsen, Shawn C.↗

Distributed-Memory Computing With the Langley Aerothermodynamic Upwind Relaxation Algorithm (LAURA)

The Langley Aerothermodynamic Upwind Relaxation Algorithm (LAURA), a Navier-Stokes solver, has been modified for use in a parallel, distributed-memory environment using the Message-Passing Interface (MPI) standard. A standard domain decomposition strategy is used in which the computational domain is divided into subdomains with each subdomain assigned to a processor. Performance is examined on dedicated parallel machines and a network of desktop workstations. The effect of domain decomposition and frequency of boundary updates on performance and convergence is also examined for several realistic configurations and conditions typical of large-scale computational fluid dynamic analysis.

Riley, Christopher J.↗

A Self-Stabilizing Distributed Clock Synchronization Protocol for Arbitrary Digraphs

This report presents a self-stabilizing distributed clock synchronization protocol in the absence of faults in the system. It is focused on the distributed clock synchronization of an arbitrary, non-partitioned digraph ranging from fully connected to 1-connected networks of nodes while allowing for differences in the network elements. This protocol does not rely on assumptions about the initial state of the system, other than the presence of at least one node, and no central clock or a centrally generated signal, pulse, or message is used. Nodes are anonymous, i.e., they do not have unique identities. There is no theoretical limit on the maximum number of participating nodes. The only constraint on the behavior of the node is that the interactions with other nodes are restricted to defined links and interfaces. We present an outline of a deductive proof of the correctness of the protocol. A model of the protocol was mechanically verified using the Symbolic Model Verifier (SMV) for a variety of topologies. Results of the mechanical proof of the correctness of the protocol are provided. The model checking results have verified the correctness of the protocol as they apply to the networks with unidirectional and bidirectional links. In addition, the results confirm the claims of determinism and linear convergence. As a result, we conjecture that the protocol solves the general case of this problem. We also present several variations of the protocol and discuss that this synchronization protocol is indeed an emergent system.

Malekpour, Mahyar R.↗

Ripple-Type Control for Enhancing Resilience of Networked Physical Systems

Distributed control agents have been advocated as an effective means for improving the resiliency of our physical infrastructures under unexpected events. Purely local control has been shown to be insufficient, centralized optimal resource allocation approaches can be slow. In this context, we put forth a hybrid low-communication saturation-driven protocol for the coordination of control agents that are distributed over a physical system and are allowed to communicate with peers over a “hotline” communication network. According to this protocol, agents act on local readings unless their control resources have been depleted, in which case they send a beacon for assistance to peer agents. Our ripple-type scheme triggers communication locally only for the agents with saturated resources and it is proved to converge. Moreover, under a monotonicity assumption on the underlying physical law coupling control outputs to inputs, the devised control is proved to converge to a configuration satisfying safe operational constraints. The assumption is shown to hold for voltage control in electric power systems and pressure control in water distribution networks. Numerical tests corroborate the efficacy of the novel scheme.

distributed control↗

Ripple-Type Control for Enhancing Resilience of Networked Physical Systems: Preprint

Distributed control agents have been advocated as an effective means for improving the resiliency of our physical in-frastructures under unexpected events. While purely local control has been shown to be insufficient, centralized optimal resource allocation approaches can be slow. In this context, we put forth a hybrid low-communication saturation-driven protocol for the coordination of control agents that are distributed over a physicalsystem and are allowed to communicate with peers over a 'hot-line' communication network. According to this protocol, agents act upon on local readings unless their control resources have been depleted, in which case they send a beacon for assistance to peer agents. Our ripple-type scheme triggers communication locally only for the agents with saturated resources, and is proved to converge. Moreover, under a monotonicity assumption on the underlying physical law coupling control outputs to inputs, the devised control is proved to converge to a configuration satisfying safe operational constraints. The assumption is shown to hold for voltage control in electric power systems and pressure control in water distribution networks. Numerical tests on both networks corroborate the efficacy of the novel scheme.

distributed control↗

Two-level overlapping additive Schwarz preconditioner for training scientific machine learning applications

In this work we introduce a novel two-level overlapping additive Schwarz preconditioner for accelerating the training of scientific machine learning applications. The design of the proposed preconditioner is motivated by the nonlinear two-level overlapping additive Schwarz preconditioner. The neural network parameters are decomposed into groups (subdomains) with overlapping regions. In addition, the network’s feed-forward structure is indirectly imposed through a novel subdomain-wise synchronization strategy and a coarse-level training step. Through a series of numerical experiments, which consider physicsinformed neural networks and operator learning approaches, we demonstrate that the proposed two-level preconditioner significantly speeds up the convergence of the standard (LBFGS) optimizer while also yielding more accurate machine learning models. Moreover, the devised preconditioner is designed to take advantage of model-parallel computations, which can further reduce the training time.

97 MATHEMATICS AND COMPUTING↗

4th TDAMM Workshop White Paper

Time-Domain and Multi-Messenger Astrophysics (TDAMM) is entering a fundamentally new phase characterized by an unprecedented increase in the rate and diversity of astrophysical transient detections. The community is transitioning from a discovery-limited to a follow-up-limited era, driven by major investments across electromagnetic, gravitational-wave, and neutrino observatories. Upcoming facilities such as the Vera C. Rubin Observatory, the Nancy Grace Roman Space Telescope, and wide-field survey instruments will produce a deluge of time-domain alerts, reaching millions of events per night. Simultaneously, upgrades to the gravitational-wave network (LVK O5 and beyond) and neutrino observatories (IceCube Gen2) will significantly increase the detection rates of non-electromagnetic messengers. New high-energy missions and expansions of the InterPlanetary Network (IPN) will further enhance discovery capabilities across the gamma-ray and X-ray regimes. This convergence of capabilities represents a transformative opportunity: for the first time, the community will routinely detect rare and high-impact events across multiple messengers. However, the scientific return from these discoveries will depend critically on the ability to rapidly identify, prioritize, and coordinate follow-up observations across a heterogeneous and globally distributed set of facilities.

79 ASTRONOMY AND ASTROPHYSICS↗

Investigation of advanced counterrotation blade configuration concepts for high speed turboprop systems, task 1: Ducted propfan analysis

The time-dependent three-dimensional Euler equations of gas dynamics were solved numerically to study the steady compressible transonic flow about ducted propfan propulsion systems. Aerodynamic calculations were based on a four-stage Runge-Kutta time-marching finite volume solution technique with added numerical dissipation. An implicit residual smoothing operator was used to aid convergence. Two calculation grids were employed in this study. The first grid utilized an H-type mesh network with a branch cut opening to represent the axisymmetric cowl. The second grid utilized a multiple-block mesh system with a C-type grid about the cowl. The individual blocks were numerically coupled in the Euler solver. Grid systems were generated by a combined algebraic/elliptic algortihm developed specifically for ducted propfans. Numerical calculations were initially performed for unducted propfans to verify the accuracy of the three-dimensional Euler formulation. The Euler analyses were then applied for the calculation of ducted propfan flows, and predicted results were compared with experimental data for two cases. The three-dimensional Euler analyses displayed exceptional accuracy, although certain parameters were observed to be very sensitive to geometric deflections. Both solution schemes were found to be very robust and demonstrated nearly equal efficiency and accuracy, although it was observed that the multi-block C-grid formulation provided somewhat better resolution of the cowl leading edge region.

Hall, Edward J.↗

Localization of toroidal motion and shear heating in 3-D high Rayleigh number convection with temperature-dependent viscosity

We have applied spectral-transform methods to study three-dimensional thermal convection with temperature-dependent viscosity. The viscosity varies exponentially with the form exp(-BT), where B controls the viscosity contrast and T is temperature. Solutions for high Rayleigh numbers, up to an effective Ra of 6.25 x 10(exp 6), have been obtained for an aspect-ratio of 5x5x1 and a viscosity contrast of 25. Solutions show the localization of toroidal velocity fields with increasing vigor of convection to a coherent network of shear-zones. Viscous dissipation increases with Rayleigh number and is particularly strong in regions of convergent flows and shear deformation. A time-varying depth-dependent mean-flow is generated because of the correlation between laterally varying viscosity and velocity gradients.

Balachandar, S.↗