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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 433 records · Page 24

FIRE: A Failure-Adaptive RL Framework for Edge Computing Migrations

In edge computing, users' service profiles are migrated between edge servers due to user mobility. Reinforcement Learning (RL) frameworks have been proposed to do so, often trained on simulated data. However, existing RL frameworks overlook occasional server failures, which although rare, impact latency-sensitive applications like AR/VR and real- time obstacle detection. These rare failures, being not adequately represented in historical training data, pose a challenge for data-driven RL algorithms. We introduce FIRE, a framework that adapts to rare events by training a RL policy in an edge computing digital twin environment. We propose FIRE-ImRE, an importance sampling-based Q-learning algorithm, which samples rare events proportionally to their impact on the value function. FIRE considers delay, migration, failure, and backup placement costs across individual and shared service profiles. We prove FIRE-ImRE's boundedness and convergence to optimality. Next, we introduce novel deep Q-learning (FIRE-ImDQL) and actor critic (FIRE-ImACRE) versions of our algorithm to enhance scalability. Here, we extend our framework to accommodate users with varying risk tolerances of rare failure events. Through trace-driven experiments, we show that FIRE reduces edge computing costs compared to vanilla RL and the greedy baseline in the event of failures.

Edge computing↗

An open-source framework for balancing computational speed and fidelity in production cost models

Studies of bulk power system operations need to incorporate uncertainty and sensitivity analyses, especially around exposure to weather and climate variability and extremes, but this remains a computational modeling challenge. Commercial production cost models (PCMs) have shorter runtimes, but also important limitations (opacity, license restrictions) that do not fully support stochastic simulation. Open-source PCMs represent a potential solution. They allow for multiple, simultaneous runs in high-performance computing environments and offer flexibility in model parameterization. Yet, developers must balance computational speed (i.e. runtime) with model fidelity (i.e. accuracy). In this paper, we present Grid Operations (GO), a framework for instantiating open-source, scale-adaptive PCMs. GO allows users to search across parameter spaces to identify model versions that appropriately balance computational speed and fidelity based on experimental needs and resource limits. Results provide generalizable insights on how to navigate the fidelity and computational speed tradeoff through parameter selection. We show that models with coarser network topologies can accurately mimic market operations, sometimes better than higher-resolution models. It is thus possible to conduct large simulation experiments that characterize operational risks related to climate and weather extremes while maintaining sufficient model accuracy.

42 ENGINEERING↗

Analog and symbolic computation through the Koopman framework

We develop a Koopman operator framework for studying the computational structure of dynamical systems. Specifically, we show that the resolvent of the Koopman operator provides a natural abstraction of halting, yielding a ‘Koopman halting problem’ that is recursively enumerable in general. For symbolic systems, such as those defined on Cantor space, this operator formulation captures reachability between clopen sets, while for equicontinuous systems we prove that the Koopman halting problem is decidable. Our framework demonstrates that absorbing (halting) states in coarse-grained finite automata correspond to Koopman eigenfunctions with eigenvalue one, while cycles in the transition graph impose spectral constraints associated with periodic dynamics. These results provide a unifying perspective on computation in symbolic and analog systems, showing how computational universality is reflected in operator spectra, invariant subspaces, and algebraic structures. Beyond symbolic dynamics, this operator-theoretic lens opens pathways to analyze the computational properties of a broader class of dynamical systems, including polynomial and analog models, and suggests that computational hardness may admit dynamical signatures in terms of Koopman spectral structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Polyphony: A Workflow Orchestration Framework for Cloud Computing

Cloud Computing has delivered unprecedented compute capacity to NASA missions at affordable rates. Missions like the Mars Exploration Rovers (MER) and Mars Science Lab (MSL) are enjoying the elasticity that enables them to leverage hundreds, if not thousands, or machines for short durations without making any hardware procurements. In this paper, we describe Polyphony, a resilient, scalable, and modular framework that efficiently leverages a large set of computing resources to perform parallel computations. Polyphony can employ resources on the cloud, excess capacity on local machines, as well as spare resources on the supercomputing center, and it enables these resources to work in concert to accomplish a common goal. Polyphony is resilient to node failures, even if they occur in the middle of a transaction. We will conclude with an evaluation of a production-ready application built on top of Polyphony to perform image-processing operations of images from around the solar system, including Mars, Saturn, and Titan.

Space Exploration,↗

Multinucleon structure and dynamics via quantum computing

We propose a framework for computing the structure and dynamics for second-quantized many-nucleon Hamiltonians on quantum computers. We develop an oracle-based Hamiltonian input model that computes the many-nucleon states and nonzero Hamiltonian matrix elements of the many-nucleon system. With our Fock-state based input model, we show how to implement the sparse matrix simulation algorithms to calculate the dynamics of the second-quantized many-nucleon Hamiltonian. Based on the dynamics simulation methods, we also present the methodology for structure calculations of the many-nucleon system. In this work, we provide an explicit circuit design of our input model of the second-quantized Hamiltonian within a direct encoding scheme that maps the occupation of each available single-particle state in the many-nucleon state to the state of specific qubit in a quantum register. Here, we analyze our method and provide the asymptotic cost in computing resources for structure and dynamics calculations of many-nucleon systems. For pedagogical purposes, we demonstrate our input model with two model problems in restricted model spaces.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Tiling Framework for Heterogeneous Computing of Matrix based Tiled Algorithms

Tiling matrix operations can improve the load balancing and performance of applications on heterogeneous computing resources. Writing a tile-based algorithm for each operation with a traditional, hand-tuned tiling approach that uses for loops in C/C++ is cumbersome and error prone. Moreover, it must enable and support the heterogeneous memory management of data objects and also explore architecture-supported, native, tiled-data transfer APIs instead of copying the tiled data to continuous memory before the data transfer. The tiling framework provides a tiled data structure for heterogeneous memory mapping and parameterization to a heterogeneous task specification API. We have integrated our tiled framework into MatRIS (Math kernels library using IRIS). IRIS is a heterogeneous run-time framework with a heterogeneous programming model, memory model, and task execution model. Experiments reveal that the tiled framework for BLAS operations has improved the programmability of tiled BLAS and improved performance by ~20% when compared against the traditional method that copies the data to continuous memory locations for heterogeneous computing.

Miniskar, Narasinga Rao↗

Arcade: A Web-Java Based Framework for Distributed Computing

Distributed heterogeneous environments are being increasingly used to execute a variety of large size simulations and computational problems. We are developing Arcade, a web-based environment to design, execute, monitor, and control distributed applications. These targeted applications consist of independent heterogeneous modules which can be executed on a distributed heterogeneous environment. In this paper we describe the overall design of the system and discuss the prototype implementation of the core functionalities required to support such a framework.

Chen, Zhikai↗

A volumetric framework for quantum computer benchmarks

We propose a very large family of benchmarks for probing the performance of quantum computers. We call them volumetric benchmarks (VBs) because they generalize IBM's benchmark for measuring quantum volume \cite{Cross18}. The quantum volume benchmark defines a family of square circuits whose depth d and width w are the same. A volumetric benchmark defines a family of rectangular quantum circuits, for which d and w are uncoupled to allow the study of time/space performance trade-offs. Each VB defines a mapping from circuit shapes — ( w , d ) pairs — to test suites C ( w , d ) . A test suite is an ensemble of test circuits that share a common structure. The test suite C for a given circuit shape may be a single circuit C , a specific list of circuits { C 1 … C N } that must all be run, or a large set of possible circuits equipped with a distribution P r ( C ) . The circuits in a given VB share a structure, which is limited only by designers' creativity. We list some known benchmarks, and other circuit families, that fit into the VB framework: several families of random circuits, periodic circuits, and algorithm-inspired circuits. The last ingredient defining a benchmark is a success criterion that defines when a processor is judged to have ``passed'' a given test circuit. We discuss several options. Benchmark data can be analyzed in many ways to extract many properties, but we propose a simple, universal graphical summary of results that illustrates the Pareto frontier of the d vs w trade-off for the processor being benchmarked.

97 MATHEMATICS AND COMPUTING↗

Framework Resources Multiply Computing Power

As an early proponent of grid computing, Ames Research Center awarded Small Business Innovation Research (SBIR) funding to 3DGeo Development Inc., of Santa Clara, California, (now FusionGeo Inc., of The Woodlands, Texas) to demonstrate a virtual computer environment that linked geographically dispersed computer systems over the Internet to help solve large computational problems. By adding to an existing product, FusionGeo enabled access to resources for calculation- or data-intensive applications whenever and wherever they were needed. Commercially available as Accelerated Imaging and Modeling, the product is used by oil companies and seismic service companies, which require large processing and data storage capacities.

Source record↗

MERRA Analytic Services: Meeting the Big Data Challenges of Climate Science Through Cloud-enabled Climate Analytics-as-a-service

Climate science is a Big Data domain that is experiencing unprecedented growth. In our efforts to address the Big Data challenges of climate science, we are moving toward a notion of Climate Analytics-as-a-Service (CAaaS). We focus on analytics, because it is the knowledge gained from our interactions with Big Data that ultimately produce societal benefits. We focus on CAaaS because we believe it provides a useful way of thinking about the problem: a specialization of the concept of business process-as-a-service, which is an evolving extension of IaaS, PaaS, and SaaS enabled by Cloud Computing. Within this framework, Cloud Computing plays an important role; however, we it see it as only one element in a constellation of capabilities that are essential to delivering climate analytics as a service. These elements are essential because in the aggregate they lead to generativity, a capacity for self-assembly that we feel is the key to solving many of the Big Data challenges in this domain. MERRA Analytic Services (MERRAAS) is an example of cloud-enabled CAaaS built on this principle. MERRAAS enables MapReduce analytics over NASAs Modern-Era Retrospective Analysis for Research and Applications (MERRA) data collection. The MERRA reanalysis integrates observational data with numerical models to produce a global temporally and spatially consistent synthesis of 26 key climate variables. It represents a type of data product that is of growing importance to scientists doing climate change research and a wide range of decision support applications. MERRAAS brings together the following generative elements in a full, end-to-end demonstration of CAaaS capabilities: (1) high-performance, data proximal analytics, (2) scalable data management, (3) software appliance virtualization, (4) adaptive analytics, and (5) a domain-harmonized API. The effectiveness of MERRAAS has been demonstrated in several applications. In our experience, Cloud Computing lowers the barriers and risk to organizational change, fosters innovation and experimentation, facilitates technology transfer, and provides the agility required to meet our customers' increasing and changing needs. Cloud Computing is providing a new tier in the data services stack that helps connect earthbound, enterprise-level data and computational resources to new customers and new mobility-driven applications and modes of work. For climate science, Cloud Computing's capacity to engage communities in the construction of new capabilies is perhaps the most important link between Cloud Computing and Big Data.

Data Analytics↗

A Robust Parallel Distributed State Estimation for Large Scale Distribution Systems

The growing need and interest in real-time monitoring of large distribution networks motivated by the rapid population of renewable sources, EVs and etc. demand a computationally efficient state estimation framework. Furthermore, this paper presents an improved computational framework for implementing a robust state estimator using a multi-core processor. The main contribution of the paper is the proposed computational framework along with two partitioning strategies which enable fast and robust state estimation for large scale radial and/or meshed distribution systems. Formulation of the proposed method and its implementation are described in detail. Performance of the estimator is tested by simulations first using a small 84-bus radial distribution system. Then the method’s scalability is demonstrated by simulations on two very large scale distribution networks one configured radially and the other meshed each containing over 12,500 buses.

42 ENGINEERING↗

Reimagining metal-organic framework discovery: Integrating experiment, computation, and artificial intelligence

The traditional development of novel metal–organic frameworks (MOFs) is often hindered by challenges such as synthetic accessibility and time- and resource-intensive experimentation. High-throughput, automated experimental and computational techniques have enabled rapid chemical space exploration and theoretical MOF design. When combined with artificial intelligence (AI), these methods can be used to lead autonomous laboratories to new frontiers for MOF discovery, where these materials can be designed for a specific application, efficiently synthesized, characterized, and evaluated. Here, this perspective highlights the role of AI in advancing automated MOF synthesis and characterization, computational MOF design and screening, and the integration of these approaches within autonomous workflows to ultimately enable the MOF laboratories of the future.

Gaidimas, Madeleine A. [Northwestern University, E↗

Inclusive open charm photoproduction in ultraperipheral collisions at the LHC with in the generalized photon-nucleus fixed-order next-to-leading logarithm framework

We compute the inclusive 𝐷 0 production cross section in ultraperipheral Pb-Pb collisions at the LHC as a function of the 𝐷 0 transverse momentum and rapidity. These calculations are carried out within the new generalized photon-nucleus FONLL (G⁡𝛾⁢A−FONLL) framework, which can predict photonuclear cross sections for charm and beauty hadrons in electron-proton, electron-nucleus, and ultraperipheral heavy-ion collisions. The framework relies on fixed-order next-to-leading logarithm (FONLL) to model heavy-quark production in photonuclear collisions and employs a photon-flux reweighting procedure to describe the production cross sections in ultraperipheral heavy-ion collisions. The G⁡𝛾⁢A calculations are first validated against the photoproduction cross sections of 𝐷* in electron-proton collisions at HERA. The predictions for the 𝐷 0 production cross section in ultraperipheral Pb-Pb collisions at the LHC are then presented and compared to the first experimental results obtained by CMS at $\sqrt{s_{NN}}$ = 5.36 ⁢TeV. The predictions are benchmarked against different choices of nuclear parton distribution functions, fragmentation functions, and renormalization and factorization scales.

Parton distribution functions↗

Direct quarkonium production in DIS from a joint CGC and NRQCD framework

We compute the differential cross section for direct quarkonium production in high-energy electron-nucleus collisions at small 𝑥. Our computation is performed within the nonrelativistic QCD factorization formalism that separates the calculation into short distance coefficients and long distance matrix elements that depend on the color and spin of the state. We obtain the short distance coefficients of the production of the heavy quark pair within the framework of the color glass condensate effective field theory, which resums coherent multiple interactions of the heavy quark pair with the nucleus to all orders. Our results are expressed as the convolution of perturbatively calculable functions with multipoint lightlike Wilson line correlators. In the correlation limit, we establish the correspondence between our color glass condensate formulation with calculations employing the transverse momentum dependent (TMD) framework. We extend this correspondence by resumming kinematic power corrections within the improved TMD framework, which interpolates between the TMD formalism and 𝑘 ⊥ -factorization formalism. We present a detailed numerical analysis, focusing on 𝐽/𝜓 production in the kinematics accessible at the future Electron-Ion Collider, highlighting the importance of genuine higher-order saturation contributions when the electron collides with a large nucleus. Our results are also valid in the photoproduction limit where we expect the largest contribution from genuine higher-order saturation contributions which could be accessed in ultraperipheral collisions of relativistic heavy ions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗