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NASA NTRS2026

Benchmarking Bayesian Optimization Frameworks and Acquisition Strategies for Materials Discovery and Autonomous Laboratories

Bayesian optimization (BO) can accelerate materials discovery by guiding expensive experiments toward the most promising processing conditions. We systematically compare five BO surrogate and framework combinations (Gaussian processes in Ax, Gaussian processes and Monte-Carlo neural networks in BayBE, random forests in Lolopy, and tree-structured Parzen (TPE) estimators in Hyperopt) on three benchmarks that mimic common materials design tasks (a discrete solid-electrolyte composition space, a hybrid discrete/continuous laminate-composite design problem solved with micromechanics modeling, and the continuous Ishigami analytic function which is a standard optimization benchmark). Each BO surrogate is paired with posterior mean, probability of improvement, and expected improvement acquisition functions and run for 100 trials from randomized initial samples with uniform random search providing a control. Across five random seeds per setting, BayBE’s Gaussian-process surrogate with expected improvement consistently reached ≥95 % of the known optimum in the fewest evaluations, while Lolopy’s random forest matched or exceeded GP performance on purely categorical or mixed spaces at a higher computational cost. Posterior mean alone often stagnated at local optima, underscoring the need for exploration, whereas probability and expected improvement balanced exploration and exploitation leading to better optimization in fewer trials. Execution times ranged from milliseconds for TPE to minutes for neural-network and random-forest surrogates. These results establish baseline expectations for BO in automated materials laboratories and highlight expected improvement with Gaussian processes as a reliable first choice, with random forests offering a strong alternative when categorical variables dominate. The benchmark suite and code are released to facilitate future surrogate, acquisition, and constraint-handling research in data-driven materials optimization.

Bayesian optimization↗

NASA NTRS1999

Feasibility of Decentralized Linear-Quadratic-Gaussian Control of Autonomous Distributed Spacecraft

A distributed satellite formation, modeled as an arbitrary number of fully connected nodes in a network, could be controlled using a decentralized controller framework that distributes operations in parallel over the network. For such problems, a solution that minimizes data transmission requirements, in the context of linear-quadratic-Gaussian (LQG) control theory, was given by Speyer. This approach is advantageous because it is non-hierarchical, detected failures gracefully degrade system performance, fewer local computations are required than for a centralized controller, and it is optimal with respect to the standard LQG cost function. Disadvantages of the approach are the need for a fully connected communications network, the total operations performed over all the nodes are greater than for a centralized controller, and the approach is formulated for linear time-invariant systems. To investigate the feasibility of the decentralized approach to satellite formation flying, a simple centralized LQG design for a spacecraft orbit control problem is adapted to the decentralized framework. The simple design uses a fixed reference trajectory (an equatorial, Keplerian, circular orbit), and by appropriate choice of coordinates and measurements is formulated as a linear time-invariant system.

Carpenter, J. Russell↗

NASA NTRS1999

Feasibility of Decentralized Linear-Quadratic-Gaussian Control of Autonomous Distributed Spacecraft

Carpenter, J. Russell↗

NASA NTRSDate not supplied

Towards Sheaf Theoretic Analyses for Delay Tolerant Networking

The goal of Delay Tolerant Networking (DTN) is to take a collection of heterogeneous, disparate connections between satellites, space assets, ground stations, and ground infrastructure and bring it together into a cohesive, functioning overlay network. Depending on the systems being considered, one can find links with a one-way light time exceeding minutes (and hours),periodic links which can sometimes be predicted by orbital mechanics, and restrictions based on the variety of capabilities built into these systems. These characteristics preclude traditional network models and routing techniques and have classically led to either rigid routing tables or purely probabilistic models. As the deeper underlying structures remain unknown, development of more DTN-optimized algorithms has lacked the necessary foundation. In a continuation of previous work, the goal of this paper is to identify and study these fundamental structures that exist in delay tolerant networks (DTN), with a focus on space networks. The current routing methodology has been to use contact graph routing (CGR) algorithms. CGR models a series of known contacts as a static graph. For CGR to work, this graph must be globally consistent and must have an accurate picture of the network. Because this is a globally controlled structure, there is little room for flexibility in the event of changes to the network which would naturally occur as the network grows. As a response to the desire for flexibility as the network changes, we introduced the mathematical structure known as sheaves to DTNs last year. The tag-line for sheaves is that they are a mathematically precise way of gluing local data together into unique global data. Thus, sheaves lend extra power to traditional models(and routing algorithms) by taking additional information and merging it, in as consistent a manner as possible, with the representation itself. The clearest example of how Earth-bound networks exhibit behavior that is “sheafy” is link state routers, which build a local-to-global picture of their network by gluing local information together into a global network, exactly as a sheaf would do. For routing within delay tolerant networks to truly exploit this structure, a deeper structure than a graph is required. In this paper, we develop sheaves that can work over directed graphs such as temporal flow networks, we construct a sheaf representation for Dijkstra’s algorithm, and we outline a construction for routing sheaves capable of modeling multicast scenarios. Finally, there is a section of future work suggesting follow-on research.

Robert Short↗

NASA NTRS2000

Optimal orbits for space constellations of Mars navigation satellites

Recent scientific discoveries at Mars have heralded an unprecedented commitment and focus by NASA and its international partners toward further exploration of Mars. As part of this effort NASA has an on-going project, called the Mars Network, to examine communication and navigation infrastructure requirements needed to support Mars exploration.

satellite constellations navigation optimal design↗

NASA NTRS2021

Automated Data Accountability for Missions in Mars Rover Data

As the Mars Curiosity Rover transmits data to the JPL Ground Data System (GDS), it frequently observes data loss and corruption, requiring re-transmits from the rover and Ground Data System Analysts (GDSA) to monitor the downlink process. As new missions are launched, the GDSA team redistributes analysts to these new missions, causing shortages in previous missions. The GDSA team can significantly benefit from the automation and optimization of the downlink process of telemetry data. In fact, there is a need for a better understanding of why the data is corrupted, so that the GDSA team can best determine the root cause of the issues in the GDS. This paper presents machine learning and deep learning based approaches to automate and optimize the detection of data loss. We first created a pipeline to automatically accumulate data from the telemetry databases (MAROS, Telemetry Data Storage, and GDS Elastic Search Database) in the downlink process. With our newly created datasets, we perform feature selection to supplement the GDSA understanding of the downlink process and provide supplemental analysis on the importance of different features. We implement various machine learning and deep learning based models, including support vector machines, ensemble methods, and deep neural networks and evaluate their accuracies in identifying whether a downlink process is complete or incomplete. We utilize fast hyperparameter optimization methods that allow our models to quickly be re-trained, allowing them to quickly be tuned and optimized on daily incoming data in real time. This hyperparameter optimization also allows our methods to be quickly integrated into other JPL missions. Our results show that our best-performing machine learning and deep learning based models outperform the existing GDSA detection software by 6 accuracy points and can aid analysts by providing insights into the data accountability problem. Since these various machine learning and deep learning approaches vary significantly in interpretability, we provide a discussion on the tradeoffs between their performance and trustworthiness in helping detect issues in data transmission.

Divsalar, Dariush↗

NASA NTRS1986

Near-optimal strategies for sub-decimeter satellite tracking with GPS

Decimeter tracking of low Earth orbiters using differential Global Positioning System (GPS) techniques is discussed. A precisely known global network of GPS ground receivers and a receiver aboard the user satellite are needed, and all techniques simultaneously estimate the user and GPS satellite orbits. Strategies include a purely geometric, a fully dynamic, and a hybrid strategy. The last combines dynamic GPS solutions with a geometric user solution. Two powerful extensions of the hybrid strategy show the most promise. The first uses an optimized synthesis of dynamics and geometry in the user solution, while the second uses a gravity adjustment method to exploit data from repeat ground tracks. These techniques promise to deliver subdecimeter accuracy down to the lowest satellite altitudes.

Yunck, Thomas P.↗

NASA NTRS1992

Optical systems integrated modeling

An integrated modeling capability that provides the tools by which entire optical systems and instruments can be simulated and optimized is a key technology development, applicable to all mission classes, especially astrophysics. Many of the future missions require optical systems that are physically much larger than anything flown before and yet must retain the characteristic sub-micron diffraction limited wavefront accuracy of their smaller precursors. It is no longer feasible to follow the path of 'cut and test' development; the sheer scale of these systems precludes many of the older techniques that rely upon ground evaluation of full size engineering units. The ability to accurately model (by computer) and optimize the entire flight system's integrated structural, thermal, and dynamic characteristics is essential. Two distinct integrated modeling capabilities are required. These are an initial design capability and a detailed design and optimization system. The content of an initial design package is shown. It would be a modular, workstation based code which allows preliminary integrated system analysis and trade studies to be carried out quickly by a single engineer or a small design team. A simple concept for a detailed design and optimization system is shown. This is a linkage of interface architecture that allows efficient interchange of information between existing large specialized optical, control, thermal, and structural design codes. The computing environment would be a network of large mainframe machines and its users would be project level design teams. More advanced concepts for detailed design systems would support interaction between modules and automated optimization of the entire system. Technology assessment and development plans for integrated package for initial design, interface development for detailed optimization, validation, and modeling research are presented.

Shannon, Robert R.↗

NASA NTRS1972

CIRCAL-2 - General-purpose on-line circuit design.

CIRCAL-2 is a second-generation general-purpose on-line circuit-design program with the following main features: (1) multiple-analysis capability; (2) uniform and general data structures for handling text editing, network representations, and output results, regardless of analysis; (3) special techniques and structures for minimizing and controlling user-program interaction; (4) use of functionals for the description of hysteresis and heat effects; and (5) ability to define optimization procedures that 'replace' the user. The paper discusses the organization of CIRCAL-2, the aforementioned main features, and their consequences, such as a set of network elements and models general enough for most analyses and a set of functions tailored to circuit-design requirements. The presentation is descriptive, concentrating on conceptual rather than on program implementation details.

Dertouzos, M. L.↗

NASA NTRS1972

Optimal Quasi-steady Plasma Thruster system characteristics.

The overall characteristics of a generalized Quasi-steady Plasma Thruster (QPT) system consisting of thruster head, power conditioning network, propellant supply subsystem are studied. Energy balance equations for the system are coupled with component mass relationships in order to determine overall system mass and performance. Power supply power levels varying from 100 to 10,000 watts with thruster power levels ranging from 300 kw to 30 Mw employing argon as the propellant are considered. The manner in which overall system mass, average thrust, and burn time vary as a function power supply power level, quasi-steady power level, and pulse time are studied. Results indicate the existence of optimum pulse times when system mass is employed as an optimization criterion.

Ludwig, D. E.↗

NASA NTRS1976

Digital correlation detector for low-cost Omega navigation

Techniques to lower the cost of using the Omega global navigation network with phase-locked loops (PLL) were developed. The technique that was accepted as being "optimal" is called the memory-aided phase-locked loop (MAPLL) since it allows operation on all eight Omega time slots with one PLL through the implementation of a random access memory. The receiver front-end and the signals that it transmits to the PLL were first described. A brief statistical analysis of these signals was then made to allow a rough comparison between the front-end presented in this work and a commercially available front-end to be made. The hardware and theory of application of the MAPLL were described, ending with an analysis of data taken with the MAPLL. Some conclusions and recommendations were also given.

Chamberlin, K. A.↗

NASA NTRS1981

Design and fabrication of a stringer stiffened discrete-tube actively cooled panel for a hypersonic aircraft

A 0.61 x 1.22 m (2 x 4 ft) test panel was fabricated and delivered to the Langley Research Center for assessment of the thermal and structural features of the optimized panel design. The panel concept incorporated an aluminum alloy surface panel actively cooled by a network of discrete, parallel, redundant, counterflow passage interconnected with appropriate manifolding, and assembled by adhesive bonding. The cooled skin was stiffened with a mechanically fastened conventional substructure of stringers and frames. A 40 water/60 glycol solution was the coolant. Low pressure leak testing, radiography, holography and infrared scanning were applied at various stages of fabrication to assess integrity and uniformity. By nondestructively inspecting selected specimens which were subsequently tested to destruction, it was possible to refine inspection standards as applied to this cooled panel design.

Anthony, F. M.↗

NASA NTRS1986

The SIMRAND methodology: Theory and application for the simulation of research and development projects

A research and development (R&D) project often involves a number of decisions that must be made concerning which subset of systems or tasks are to be undertaken to achieve the goal of the R&D project. To help in this decision making, SIMRAND (SIMulation of Research ANd Development Projects) is a methodology for the selection of the optimal subset of systems or tasks to be undertaken on an R&D project. Using alternative networks, the SIMRAND methodology models the alternative subsets of systems or tasks under consideration. Each path through an alternative network represents one way of satisfying the project goals. Equations are developed that relate the system or task variables to the measure of reference. Uncertainty is incorporated by treating the variables of the equations probabilistically as random variables, with cumulative distribution functions assessed by technical experts. Analytical techniques of probability theory are used to reduce the complexity of the alternative networks. Cardinal utility functions over the measure of preference are assessed for the decision makers. A run of the SIMRAND Computer I Program combines, in a Monte Carlo simulation model, the network structure, the equations, the cumulative distribution functions, and the utility functions.

Miles, R. F., Jr.↗

NASA NTRS1991

Parameter estimation for distributed parameter models of complex, flexible structures

Distributed parameter modeling of structural dynamics has been limited to simple spacecraft configurations because of the difficulty of handling several distributed parameter systems linked at their boundaries. Although there is other computer software able to generate such models or complex, flexible spacecraft, unfortunately, neither is suitable for parameter estimation. Because of this limitation the computer software PDEMOD is being developed for the express purposes of modeling, control system analysis, parameter estimation and structure optimization. PDEMOD is capable of modeling complex, flexible spacecraft which consist of a three-dimensional network of flexible beams and rigid bodies. Each beam has bending (Bernoulli-Euler or Timoshenko) in two directions, torsion, and elongation degrees of freedom. The rigid bodies can be attached to the beam ends at any angle or body location. PDEMOD is also capable of performing parameter estimation based on matching experimental modal frequencies and static deflection test data. The underlying formulation and the results of using this approach for test data of the Mini-MAST truss will be discussed. The resulting accuracy of the parameter estimates when using such limited data can impact significantly the instrumentation requirements for on-orbit tests.

Taylor, Lawrence W., Jr.↗

NASA NTRS1997

Neural Generalized Predictive Control: A Newton-Raphson Implementation

An efficient implementation of Generalized Predictive Control using a multi-layer feedforward neural network as the plant's nonlinear model is presented. In using Newton-Raphson as the optimization algorithm, the number of iterations needed for convergence is significantly reduced from other techniques. The main cost of the Newton-Raphson algorithm is in the calculation of the Hessian, but even with this overhead the low iteration numbers make Newton-Raphson faster than other techniques and a viable algorithm for real-time control. This paper presents a detailed derivation of the Neural Generalized Predictive Control algorithm with Newton-Raphson as the minimization algorithm. Simulation results show convergence to a good solution within two iterations and timing data show that real-time control is possible. Comments about the algorithm's implementation are also included.

Soloway, Donald↗

NASA NTRS2003

Neural-net Processed Electronic Holography for Rotating Machines

This report presents the results of an R&D effort to apply neural-net processed electronic holography to NDE of rotors. Electronic holography was used to generate characteristic patterns or mode shapes of vibrating rotors and rotor components. Artificial neural networks were trained to identify damage-induced changes in the characteristic patterns. The development and optimization of a neural-net training method were the most significant contributions of this work, and the training method and its optimization are discussed in detail. A second positive result was the assembly and testing of a fiber-optic holocamera. A major disappointment was the inadequacy of the high-speed-holography hardware selected for this effort, but the use of scaled holograms to match the low effective resolution of an image intensifier was one interesting attempt to compensate. This report also discusses in some detail the physics and environmental requirements for rotor electronic holography. The major conclusions were that neural-net and electronic-holography inspections of stationary components in the laboratory and the field are quite practical and worthy of continuing development, but that electronic holography of moving rotors is still an expensive high-risk endeavor.

Decker, Arthur J.↗

NASA NTRS2009

Verification and Validation of Adaptive and Intelligent Systems with Flight Test Results

F-15 IFCS project goals are: a) Demonstrate Control Approaches that can Efficiently Optimize Aircraft Performance in both Normal and Failure Conditions [A] & [B] failures. b) Advance Neural Network-Based Flight Control Technology for New Aerospace Systems Designs with a Pilot in the Loop. Gen II objectives include; a) Implement and Fly a Direct Adaptive Neural Network Based Flight Controller; b) Demonstrate the Ability of the System to Adapt to Simulated System Failures: 1) Suppress Transients Associated with Failure; 2) Re-Establish Sufficient Control and Handling of Vehicle for Safe Recovery. c) Provide Flight Experience for Development of Verification and Validation Processes for Flight Critical Neural Network Software.

Burken, John J.↗

NASA NTRS2016

Scheduler Design Criteria: Requirements and Considerations

This presentation covers fundamental requirements and considerations for developing schedulers in airport operations. We first introduce performance and functional requirements for airport surface schedulers. Among various optimization problems in airport operations, we focus on airport surface scheduling problem, including runway and taxiway operations. We then describe a basic methodology for airport surface scheduling such as node-link network model and scheduling algorithms previously developed. Next, we explain how to design a mathematical formulation in more details, which consists of objectives, decision variables, and constraints. Lastly, we review other considerations, including optimization tools, computational performance, and performance metrics for evaluation.

NASA-KAIA/KARI research collaboration↗