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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 505 records · Page 28

A network flow model for load balancing in circuit-switched multicomputers

In multicomputers that utilize circuit switching or wormhole routing, communication overhead depends largely on link contention - the variation due to distance between nodes is negligible. This has a major impact on the load balancing problem. In this case, there are some nodes with excess load (sources) and others with deficit load (sinks) and it is required to find a matching of sources to sinks that avoids contention. The problem is made complex by the hardwired routing on currently available machines: the user can control only which nodes communicate but not how the messages are routed. Network flow models of message flow in the mesh and the hypercube were developed to solve this problem. The crucial property of these models is the correspondence between minimum cost flows and correctly routed messages. To solve a given load balancing problem, a minimum cost flow algorithm is applied to the network. This permits one to determine efficiently a maximum contention free matching of sources to sinks which, in turn, tells one how much of the given imbalance can be eliminated without contention.

Bokhari, Shahid H.↗

A Novel LDPP-MADDPG Approach for Distributed Power Allocation in mmWave Cellular Networks

This paper considers the problem of distributed beam scheduling and power allocation problem in millimeter- Wave (mmWave) cellular networks, in which multiple Base Stations (BSs) operate as individual operators over a shared spectrum. We propose a novel learning-aided approach that integrates the Lyapunov Drift-Plus-Penalty (LDPP) framework and Multi-agent Deep Deterministic Policy Gradient (MADDPG) reinforcement learning algorithms. This offers a powerful approach to learning stable and constraint-aware policies, reaping the joint benefit of both LDPP and MADDPG, in complex multiagent environments. The major challenge for this approach is to integrate these two approaches in a meaningful and effective manner. The key idea to solve this problem is to introduce a novel feature of local observation that incorporates potential negative value of the reward function due to the stochastic constraints introduced by the LDPP framework. Empirical results demonstrate that our proposed scheme outperforms the baseline methods under various conditions.

99 - GENERAL AND MISCELLANEOUS↗

Virtual to Physical: Reinforcement Learning to Optimize SNS Particle Accelerator Controls

Complex accelerators must have control systems that can handle dynamic nonlinear environments. This makes traditional control methods unsuitable as they can struggle to adapt to these uncertainties. This provides an ideal environment for reinforcement learning algorithms as they are adaptable and generalizable. We present a reinforcement learning pipeline that can effectively handle the dynamics of a complex accelerator. We test and prove our pipelines capabilities on multiple environments including the Spallation Neutron Source (SNS) and the Beam Test Facility (BTF) at Oakridge National Lab (ORNL). Due to the limited time available to train an online algorithm like reinforcement learning on a real accelerator, we utilize a virtual twin accelerator (VIRAC) developed by ORNL to pretrain the policy and show its ability to converge in the virtual environment. We then test the adaptability of the pretrained RL model by applying it on the real accelerator and comparing the results. Utilizing our Scientific Optimization and Controls Toolkit (SOCT) and open-source standards such as Gymnasium we create and solve for a MEBT orbit correction problem in the SNS and an emittance maximization problem in the BTF. We show how Twin Delayed Deep Deterministic Policy Gradient (TD3) can solve this optimization environment in the virtual accelerator and transfer this policy onto the real accelerator for inference and model retraining. We show how reinforcement learning can be utilized as a control system for complex accelerators and provide a model pipeline for how an implementation performs and can be adapted to new accelerator control problems.

Kasparian, Armen [Thomas Jefferson National Accele↗

Multigrid-sinc methods

A Galerkin method using Whittaker cardinal or 'sinc' functions as basis functions is described for the solution of boundary-value problems. When the solution is analytic in the interior of the domain, the error of approximation using 2N + 1 points is O(e exp /-gamma sq rt N/) even if derivatives of the solution are singular at the boundaries. A multigrid method with overall complexity O(N log N) is used to solve the discrete equations. This paper contains a description of the multigrid-sinc algorithm along with some preliminary numerical results for two-point boundary-value problems.

Schaffer, Steve↗

Mean Flow Augmented Acoustics in Rocket Systems

Oscillatory motion in solid rocket motors and liquid engines has long been a subject of concern. Many rockets display violent fluctuations in pressure, velocity, and temperature originating from the complex interactions between the combustion process and gas dynamics. The customary approach to modeling acoustic waves inside a rocket chamber is to apply the classical inhomogeneous wave equation to the combustion gas. The assumption of a linear, non-dissipative wave in a quiescent fluid remains valid while the acoustic amplitudes are small and local gas velocities stay below Mach 0.2. The converging section of a rocket nozzle, where gradients in pressure, density, and velocity become large, is a notable region where this approach is not applicable. The expulsion of unsteady energy through the nozzle of a rocket is identified as the predominate source of acoustic damping for most rocket systems. An accurate model of the acoustic behavior within this region where acoustic modes are influenced by the presence of a steady mean flow is required for reliable stability predictions. Recently, an approach to address nozzle damping with mean flow effects was implemented by French [1]. This new approach extends the work originated by Sigman and Zinn [2] by solving the acoustic velocity potential equation (AVPE) formulated by perturbing the Euler equations [3]. The acoustic velocity potential (psi) describing the acoustic wave motion in the presence of an inhomogeneous steady high-speed flow is defined by, (del squared)(psi) − (lambda/c)(exp 2)(psi) − M(dot)[M(dot)(del)(del(psi))] − 2(lambda(M/c) + (M(dot)del(M))(dot)del(psi)−2(lambda)(psi)[M(dot)del(1/c)]=0 (1) with M as the Mach vector, c as the speed of sound, and lambda as the complex eigenvalue. French apply the finite volume method to solve the steady flow field within the combustion chamber and nozzle with inviscid walls. The complex eigenvalues and eigenvector are determined with the use of the ARPACK eigensolver. The present study employs the COMSOL Multphysics framework to solve the coupled eigenvalue problem using the finite element approach. The study requires one way coupling of the CFD High Mach Number Flow (HMNF) and mathematics module. The HMNF module evaluated the gas flow inside of a solid rocket motor using St. Robert's law modeling solid propellant burn rate, slip boundary conditions, and the supersonic outflow condition. Results from the HMNF model are used by the coefficient form of the mathematics module to determine the eigenvalues of the AVPE. The mathematics model is truncated at the nozzle sonic line, where a zero flux boundary condition is self-satisfying. The remaining boundaries are modeled with a zero flux boundary condition, assuming zero acoustic absorption on all surfaces. Pertinent results from these analyses are the complex valued eigenvalue and eigenvectors. Comparisons are made to the French results to evaluate the modeling approach. A comparison of the French results with that of the present analysis is displayed in figures 1 and 2, respectively. The graphic shows the first tangential eigenvector's real (a) and imaginary (b) values.

Fischbach, Sean R.↗

CP decomposition for tensors via alternating least squares with QR decomposition

The CP tensor decomposition is used in applications such as machine learning and signal processing to discover latent low-rank structure in multidimensional data. Computing a CP decomposition via an alternating least squares (ALS) method reduces the problem to several linear least squares problems. The standard way to solve these linear least squares subproblems is to use the normal equations, which inherit special tensor structure that can be exploited for computational efficiency. However, the normal equations are sensitive to numerical ill-conditioning, which can compromise the results of the decomposition. In this paper, we develop versions of the CP-ALS algorithm using the QR decomposition and the singular value decomposition, which are more numerically stable than the normal equations, to solve the linear least squares problems. Our algorithms utilize the tensor structure of the CP-ALS subproblems efficiently, have the same complexity as the standard CP-ALS algorithm when the input is dense and the rank is small, and are shown via examples to produce more stable results when ill-conditioning is present. Our MATLAB implementation achieves the same running time as the standard algorithm for small ranks, and we show that the new methods can obtain lower approximation error.

97 MATHEMATICS AND COMPUTING↗

τ-SIMPLE Algorithm for the closure problem in homogenization of stokes flows

Estimation of the permeability tensor is crucial for many natural and industrial porous media applications. Homogenization provides a rigorous framework to calculate effective parameters from pore-scale images of a representative unit cell of the porous medium by solving a boundary value problem, also known as closure problem, subject to global constraints. However, the latter are hard to satisfy for arbitrarily complex geometries. We have developed a novel computational algorithm to calculate rigorously the permeability tensor. The approach, here referred to as τ-SIMPLE, is based on introducing an artificial time scale τ to satisfy the global constraint within the SIMPLE iteration. Here, we show that the proposed algorithm has high accuracy for both two-dimensional and three-dimensional periodically arranged geometries.

54 ENVIRONMENTAL SCIENCES↗

Scaling quantum approximate optimization on near-term hardware

The quantum approximate optimization algorithm (QAOA) is an approach for near-term quantum computers to potentially demonstrate computational advantage in solving combinatorial optimization problems. However, the viability of the QAOA depends on how its performance and resource requirements scale with problem size and complexity for realistic hardware implementations. Here, we quantify scaling of the expected resource requirements by synthesizing optimized circuits for hardware architectures with varying levels of connectivity. Assuming noisy gate operations, we estimate the number of measurements needed to sample the output of the idealized QAOA circuit with high probability. We show the number of measurements, and hence total time to solution, grows exponentially in problem size and problem graph degree as well as depth of the QAOA ansatz, gate infidelities, and inverse hardware graph degree. These problems may be alleviated by increasing hardware connectivity or by recently proposed modifications to the QAOA that achieve higher performance with fewer circuit layers.

97 MATHEMATICS AND COMPUTING↗

Shielding the Quantum Realm: Technical Considerations for Maintaining a Stable and Secure Radio Frequency Environment for Quantum Research

Advancements in quantum technology, which include quantum computing, quantum sensing, quantum communications, and associated research, continue to revolutionize various fields of study by solving challenging problems deemed too difficult or more efficient than those used for classical computers. However, as these systems become ever so complex, it is critical to secure their electromagnetic operational environments and the associated impact on quantum systems and infrastructure. The goal of this synopsis is to bring attention to the susceptibility of quantum technology facilities to potential issues related to the radio frequency (RF) environment within the broader electromagnetic context. A framework is proposed for identifying, mitigating, monitoring, and auditing these often complex operational environments. By establishing best practices in the consideration and evaluation of these criteria, one can enhance the operational integrity, resilience, and security of quantum technology systems and facilities, thereby supporting their continued development and application in research and industry.

42 ENGINEERING↗

Resonance in cylindrical-rectangular and wraparound microstrip structures

A rigorous analysis of the resonance frequency problem of both the cylindrical-rectangular and the wraparound microstrip structure is presented. The problem is formulated in terms of a set of vector integral equations. Using Galerkin's method to solve the integral equations, the complex resonance frequencies are studied with sinusoidal basis functions which incorporate the edge singularity. The complex resonance frequencies are computed using a perturbation approach. Modes suitable for resonator or antenna applications are investigated. The edge singularity of the patch current is shown to have no significant effect on the accuracy of the results. It is shown that the HE10 modes of the cylindrical-rectangular and wraparound patches are more appropriate for resonator applications. The HE01 and TE01 modes of the cylindrical-rectangular and wraparound patches, respectively, are efficient radiating modes.

Ali, Sami M.↗

Efficient algorithms for robust feature matching

One of the basic building blocks in any point-based registration scheme involves matching feature points that are extracted from the sensed image to their counterparts in the reference image. This leads to the fundamental problem of point matching: given two sets of points, find the affine transformation that transforms one point set so that its distance from the other point set is minimized. Because of measurement errors and the presence of outlying data points, it is important that the distance measure between two point sets be robust to these effects. We measure distances using the generalized Hausdorff distance. Point matching can be a computationally intensive task, and there have been a number of algorithms and approaches proposed for solving this problem both theoretical and applied. We present two approaches to the point matching problem, in an attempt to reduce the computational complexity of the problem, while still providing guarantees on the quality of the final match. Our first method is an approximation algorithm, which is loosely based on a branch-and-bound approach due to Huttenlocher and Rucklidge. We show that by varying the approximation error bounds, it is possible to achieve a tradeoff between the quality of the match and the running time of the algorithm. Our second method involves a Monte Carlo method for accelerating the search process used in the first algorithm. With high probability this method succeeds in finding an approximately optimal match. We establish the efficiency of our approaches empirically.

Mount, David M.↗

Mapping the User Journey: Building a User Persona and Story Repository to Improve NASA EOSDIS Application Development

Understanding the needs of the end user is vital to producing quality, usable software that solves real problems. Additionally, making sure those needs are communicated to managers, engineers, and designers at the project level is vital. On complex projects, it's important to build out resources for your team that make it easy to put yourself in the shoes of the specific user you're building for. NASA's Earth Observing System is a collection of data, applications, and a diverse user and scientific community that's trying to answer tough questions about our planet and its climate. Over the last few years, we've spoken to hundreds of users, performed many user testing sessions, and built a collection of user personas, user stories, and design assets that help guide new software and feature development within NASA EOSDIS. We've also developed methods for synthesizing this information and making it actionable for teams, and worked to foster a design first approach on new projects always starting from a core user need and working backward from interface development to software engineering. This process has allowed us to design better, more usable software and features that directly meet the needs of our user community.

Siarto, Jeff↗

Variational Monte Carlo Calculations of A ≤ 4 Nuclei with an Artificial Neural-Network Correlator Ansatz

Here, the complexity of many-body quantum wave functions is a central aspect of several fields of physics and chemistry where nonperturbative interactions are prominent. Artificial neural networks (ANNs) have proven to be a flexible tool to approximate quantum many-body states in condensed matter and chemistry problems. In this work we introduce a neural-network quantum state ansatz to model the ground-state wave function of light nuclei, and approximately solve the nuclear many-body Schrodinger equation. Using efficient stochastic sampling and optimization schemes, our approach extends pioneering applications of ANNs in the field, which present exponentially scaling algorithmic complexity. We compute the binding energies and point-nucleon densities of A ≤ 4 nuclei as emerging from a leading-order pionless effective field theory Hamiltonian. We successfully benchmark the ANN wave function against more conventional parametrizations based on two- and three-body Jastrow functions, and virtually exact Green's function Monte Carlo results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

El Agente: An autonomous agent for quantum chemistry

Computational chemistry tools are widely used to study the behavior of chemical phenomena. Yet, the complexity of these tools can make them inaccessible to non-specialists and challenging even for experts. In this work, we introduce El Agente Q, an LLM-based multi-agent system that dynamically generates and executes quantum chemistry workflows from natural language user prompts. The system is built on a novel cognitive architecture featuring a hierarchical memory framework that enables flexible task decomposition, adaptive tool selection, post-analysis, and autonomous file handling and submission. El Agente Q is benchmarked on six university-level course exercises and two case studies, demonstrating robust problem-solving performance (averaging >87% task success) and adaptive error handling through in situ debugging. It also supports longer-term, multi-step task execution for more complex workflows, while maintaining transparency through detailed action trace logs. Together, these capabilities lay the foundation for increasingly autonomous and accessible quantum chemistry.

agentic systems↗

Problem Complexity and LLM: H-M Team Reliability in Challenging Environments

In traditional human-machine operations, the functional decomposition of actions and responsibilities among various agents is assigned a priori. For instance, in current air traffic operations, although assisted by software, human pilots have the ultimate control of aircraft. Multiagent human-machine and machine-machine systems will face problems of varying and potentially unpredicted complexity in future challenging scenarios of planetary, en route, and orbital activities. Hence, it is important to enable dynamic transfer of decision-making to appropriate team members, human or machine, depending on which agent is best equipped to solve that specific problem on a time budget. In this paper, we consider aspects of problem-solving and its modeling that affect the outcomes of decision-making as a function of solution quality and the likelihood of solving the problem on a required time budget. We focus on Large Language Models (LLM) as potential machine teammates and conclude that practical, predictive modeling of their performance, at the current stage of their development, is infeasible. Simple examples help us illustrate that current LLM will require fundamental advancements to provide reliable support in team decision-making, especially in safety-critical and time-critical domains. The study is not meant to diminish the value of the remarkable capabilities of LLM, but rather to gain a better understanding of the technology’s appropriate use and the needed additions.

function allocation↗

AutoTandemML: Active Learning Enhanced Tandem Neural Networks for Inverse Design Problems

Inverse design in science and engineering involves determining optimal design parameters that achieve desired performance outcomes, a process often hindered by the complexity and high dimensionality of design spaces, leading to significant computational costs. To tackle this challenge, we propose a novel hybrid approach that combines active learning with Tandem Neural Networks to enhance the efficiency and effectiveness of solving inverse design problems. Active learning allows to selectively sample the most informative data points, reducing the required dataset size without compromising accuracy. We investigate this approach using three benchmark problems: airfoil inverse design, photonic surface inverse design, and scalar boundary condition reconstruction in diffusion partial differential equations. We demonstrate that integrating active learning with Tandem Neural Networks outperforms standard approaches across the benchmark suite, achieving better accuracy with fewer training samples.

97 MATHEMATICS AND COMPUTING↗

Co-Optimization of Velocity and Charge-Depletion for Plug-In Hybrid Electric Vehicles: Accounting for Acceleration and Jerk Constraints

Abstract Recent advances in vehicle connectivity and automation technologies promote advanced control algorithms that co-optimize the longitudinal dynamics and powertrain operation of hybrid electric vehicles. Typically, a sequential optimization with the vehicle dynamics optimized followed by powertrain optimization is adopted to manage a number of complexities such as the inherent mixed-integer nature of the hybrid powertrain, the numerous state and control variables, the differing time scales of vehicle and powertrain subsystems, time-varying state constraints, and large horizon lengths. Instead, we solve the offline optimization problem in a centralize manner assuming exact knowledge of the lead vehicle's position over the entire trip by applying a discrete-time single shooting-based numerical approach, Discrete Mixed-Integer Shooting (DMIS), including a linearly increasing computational complexity to the problem horizon. In particular, the hierarchical problem structure is exploited to decompose the computationally intensive Hamiltonian minimization step into a set of low-dimensional optimizations. DMIS allows us to compute the direct fuel minimization problem including the vehicle and powertrain dynamics in a centralized manner to its full horizon while systematically tuning weighting factors that penalize passenger discomfort. For the first time, this study reveals that practically implemented sequential optimization exhibits similar fuel optimality as co-optimization when a certain level of passenger comfort is required.

Automation & Control Systems↗

Stability investigations of airfoil flow by global analysis

As the result of global, non-parallel flow stability analysis the single value of the disturbance growth-rate and respective frequency is obtained. This complex value characterizes the stability of the whole flow configuration and is not referred to any particular flow pattern. The global analysis assures that all the flow elements (wake, boundary and shear layer) are taken into account. The physical phenomena connected with the wake instability are properly reproduced by the global analysis. This enhances the investigations of instability of any 2-D flows, including ones in which the boundary layer instability effects are known to be of dominating importance. Assuming fully 2-D disturbance form, the global linear stability problem is formulated. The system of partial differential equations is solved for the eigenvalues and eigenvectors. The equations, written in the pure stream function formulation, are discretized via FDM using a curvilinear coordinate system. The complex eigenvalues and corresponding eigenvectors are evaluated by an iterative method. The investigations performed for various Reynolds numbers emphasize that the wake instability develops into the Karman vortex street. This phenomenon is shown to be connected with the first mode obtained from the non-parallel flow stability analysis. The higher modes are reflecting different physical phenomena as for example Tollmien-Schlichting waves, originating in the boundary layer and having the tendency to emerge as instabilities for the growing Reynolds number. The investigations are carried out for a circular cylinder, oblong ellipsis and airfoil. It is shown that the onset of the wake instability, the waves in the boundary layer, the shear layer instability are different solutions of the same eigenvalue problem, formulated using the non-parallel theory. The analysis offers large potential possibilities as the generalization of methods used till now for the stability analysis.

Morzynski, Marek↗