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All sources NASA NTRS DOE OSTI

DOE OSTI2021

Trajectory Optimization via Unsupervised Probabilistic Learning On Manifolds

This report investigates the use of unsupervised probabilistic learning techniques for the analysis of hypersonic trajectories. The algorithm first extracts the intrinsic structure in the data via a diffusion map approach. Using the diffusion coordinates on the graph of training samples, the probabilistic framework augments the original data with samples that are statistically consistent with the original set. The augmented samples are then used to construct conditional statistics that are ultimately assembled in a path-planing algorithm. In this framework the controls are determined stage by stage during the flight to adapt to changing mission objectives in real-time. A 3DOF model was employed to generate optimal hypersonic trajectories that comprise the training datasets. The diffusion map algorithm identfied that data resides on manifolds of much lower dimensionality compared to the high-dimensional state space that describes each trajectory. In addition to the path-planing worflow we also propose an algorithm that utilizes the diffusion map coordinates along the manifold to label and possibly remove outlier samples from the training data. This algorithm can be used to both identify edge cases for further analysis as well as to remove them from the training set to create a more robust set of samples to be used for the path-planing process.

42 ENGINEERING↗

DOE OSTI2024

Riemannian Optimization Applied to AC Optimal Power Flow: Preprint

The nonlinear, nonconvex AC optimal power flow problem is of growing importance as the nature of the power grid evolves. This problem can be difficult to solve for interior point methods. However, the advent of optimization algorithms over smooth Riemannian manifolds presents an alternative approach. The nonlinear, nonconvex constraints in the AC power flow problem form an embedded submanifold of Euclidean space. In this paper, the authors explore the performance of Riemannian optimization algorithms for the ACOPF problem where the optimization is performed directly on the AC power flow manifold. They demonstrate that these are viable computational alternatives to interior point methods. This is done by using Julia and the packages PowerModels.jl and Manopt.jl.

manifold optimization↗

DOE OSTI2024

Riemannian Optimization Applied to AC Optimal Power Flow

The nonlinear, nonconvex AC optimal power flow problem is of growing importance as the nature of the power grid evolves. This problem can be difficult to solve for interior point methods. However, the advent of optimization algorithms over smooth Riemannian manifolds presents an alternative approach. The nonlinear, nonconvex constraints in the AC power flow problem form an embedded submanifold of Euclidean space. In this paper, the authors explore the performance of Riemannian optimization algorithms for the ACOPF problem where the optimization is performed directly on the AC power flow manifold. This is done by using the Julia programming language and the Julia packages PowerModels.jl and Manopt.jl.

AC optimal power flow↗

NASA NTRS2014

Continued Water-Based Phase Change Material Heat Exchanger Development

In a cyclical heat load environment such as low Lunar orbit, a spacecraft's radiators are not sized to reject the full heat load requirement. Traditionally, a supplemental heat rejection device (SHReD) such as an evaporator or sublimator is used to act as a "topper" to meet the additional heat rejection demands. Utilizing a Phase Change Material (PCM) heat exchanger (HX) as a SHReD provides an attractive alternative to evaporators and sublimators as PCM HXs do not use a consumable, thereby leading to reduced launch mass and volume requirements. In continued pursuit of water PCM HX development two full‐scale, Orion sized water‐based PCM HX's were constructed by Mezzo Technologies. These HX's were designed by applying prior research and experimentation to the full scale design. Design options considered included bladder restraint and clamping mechanisms, bladder manufacturing, tube patterns, fill/drain methods, manifold dimensions, weight optimization, and midplate designs. Design and construction of these HX's led to successful testing of both PCM HX's.

Hansen, Scott↗

NASA NTRS2015

Continued Water-Based Phase Change Material Heat Exchanger Development

In a cyclical heat load environment such as low Lunar orbit, a spacecraft's radiators are not sized to meet the full heat rejection demands. Traditionally, a supplemental heat rejection device (SHReD) such as an evaporator or sublimator is used to act as a "topper" to meet the additional heat rejection demands. Utilizing a Phase Change Material (PCM) heat exchanger (HX) as a SHReD provides an attractive alternative to evaporators and sublimators as PCM HX's do not use a consumable, thereby leading to reduced launch mass and volume requirements. In continued pursuit of water PCM HX development two full-scale, Orion sized water-based PCM HX's were constructed by Mezzo Technologies. These HX's were designed by applying prior research on freeze front propagation to a full-scale design. Design options considered included bladder restraint and clamping mechanisms, bladder manufacturing, tube patterns, fill/drain methods, manifold dimensions, weight optimization, and midplate designs. Two units, Units A and B, were constructed and differed only in their midplate design. Both units failed multiple times during testing. This report highlights learning outcomes from these tests and are applied to a final sub-scale PCM HX which is slated to be tested on the ISS in early 2017.

Hansen, Scott W.↗

NASA NTRS2013

Broad Search for Unstable Resonant Orbits in the Planar Circular Restricted Three-Body Problem

Unstable resonant orbits in the circular restricted three-body problem have increasingly been used for trajectory design using optimization and invariant manifold techniques.In this study, several methods for computing these unstable resonant orbits are explored including flyby maps, continuation from two-body models, and grid searches. Families of orbits are computed focusing on the Jupiter-Europa system, and their characteristics are explored. Different parameters such as period and stability are examined for each set of resonantor bits, and the continuation of several specific orbits is explored in more detail.

unstable resonant orbits↗

DOE OSTI2021

Hamiltonian reduction of Vlasov–Maxwell to a dark slow manifold

In this work, we show that non-relativistic scaling of the collisionless Vlasov–Maxwell system implies the existence of a formal invariant slow manifold in the infinite-dimensional Vlasov–Maxwell phase space. Vlasov–Maxwell dynamics restricted to the slow manifold recovers the Vlasov–Poisson and Vlasov–Darwin models as low-order approximations, and provides higher-order corrections to the Vlasov–Darwin model more generally. The slow manifold may be interpreted to all orders in perturbation theory as a collection of formal Vlasov–Maxwell solutions that do not excite light waves, and are therefore ‘dark’. We provide a heuristic lower bound for the time interval over which Vlasov–Maxwell solutions initialized optimally near the slow manifold remain dark. We also show how the dynamics on the slow manifold naturally inherits a Hamiltonian structure from the underlying system. After expressing this structure in a simple form, we use it to identify a manifestly Hamiltonian correction to the Vlasov–Darwin model. The derivation of higher-order terms is reduced to computing the corrections of the system Hamiltonian restricted to the slow manifold.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Manifold learning for coarse-graining atomistic simulations: Application to amorphous solids

In this work, we introduce a generalized machine learning framework to probabilistically parameterize upper-scale models in the form of nonlinear PDEs consistent with a continuum theory, based on coarse-grained atomistic simulation data of mechanical deformation and flow processes. The proposed framework utilizes a hypothesized coarse-graining methodology with manifold learning and surrogate-based optimization techniques. Coarse-grained high-dimensional data describing quantities of interest of the multiscale models are projected onto a nonlinear manifold whose geometric and topological structure is exploited for measuring behavioral discrepancies in the form of manifold distances. A surrogate model is constructed using Gaussian process regression to identify a mapping between stochastic parameters and distances. Derivative-free optimization is employed to adaptively identify a unique set of parameters of the upper-scale model capable of rapidly reproducing the system's behavior while maintaining consistency with coarse-grained atomic-level simulations. The proposed method is applied to learn the parameters of the shear transformation zone (STZ) theory of plasticity that describes plastic deformation in amorphous solids as well as coarse-graining parameters needed to translate between atomistic and continuum representations. We show that the methodology is able to successfully link coarse-grained microscale simulations to macroscale observables and achieve a high-level of parity between the models across scales.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Data-Driven Compositional Optimization in Misspecified Regimes

With a manifold growth in the scale and intricacy of systems, the challenges of parametric misspecification become pronounced. These concerns are further exacerbated in compositional settings, which emerge in problems complicated by modeling risk and robustness. In “Data-Driven Compositional Optimization in Misspecified Regimes,” the authors consider the resolution of compositional stochastic optimization problems, plagued by parametric misspecification. In considering settings where such misspecification may be resolved via a parallel learning process, the authors develop schemes that can contend with diverse forms of risk, dynamics, and nonconvexity. They provide asymptotic and rate guarantees for unaccelerated and accelerated schemes for convex, strongly convex, and nonconvex problems in a two-level regime with extensions to the multilevel setting. Surprisingly, the nonasymptotic rate guarantees show no degradation from the rate statements obtained in a correctly specified regime and the schemes achieve optimal (or near-optimal) sample complexities for general T-level strongly convex and nonconvex compositional problems.

Business & Economics↗

DOE OSTI2021

Latent map Gaussian processes for mixed variable metamodeling

Gaussian processes (GPs) are ubiquitously used in sciences and engineering as metamodels. Standard GPs, however, can only handle numerical or quantitative variables. Here we introduce latent map Gaussian processes (LMGPs) that inherit the attractive properties of GPs and are also applicable to mixed data which have both quantitative and qualitative inputs. The core idea behind LMGPs is to learn a continuous, low-dimensional latent space or manifold which encodes all qualitative inputs. To learn this manifold, we first assign a unique prior vector representation to each combination of qualitative inputs. We then use a low-rank linear map to project these priors on a manifold that characterizes the posterior representations. As the posteriors are quantitative, they can be directly used in any standard correlation function such as the Gaussian or Matern. Hence, the optimal map and the corresponding manifold, along with other hyperparameters of the correlation function, can be systematically learned via maximum likelihood estimation. Through a wide range of analytic and real-world examples, we demonstrate the advantages of LMGPs over state-of-the-art methods in terms of accuracy and versatility. In particular, we show that LMGPs can handle variable-length inputs, have an explainable neural network interpretation, and provide insights into how qualitative inputs affect the response or interact with each other. We also employ LMGPs in Bayesian optimization and illustrate that they can discover optimal compound compositions more efficiently than conventional methods that convert compositions to qualitative variables via manual featurization.

42 ENGINEERING↗

NASA NTRS2005

Enhancing the Design Process for Complex Space Systems through Early Integration of Risk and Variable-Fidelity Modeling

An important enabler of the new national Vision for Space Exploration is the ability to rapidly and efficiently develop optimized concepts for the manifold future space missions that this effort calls for. The design of such complex systems requires a tight integration of all the engineering disciplines involved, in an environment that fosters interaction and collaboration. The research performed under this grant explored areas where the space systems design process can be enhanced: by integrating risk models into the early stages of the design process, and by including rapid-turnaround variable-fidelity tools for key disciplines. Enabling early assessment of mission risk will allow designers to perform trades between risk and design performance during the initial design space exploration. Entry into planetary atmospheres will require an increased emphasis of the critical disciplines of aero- and thermodynamics. This necessitates the pulling forward of EDL disciplinary expertise into the early stage of the design process. Radiation can have a large potential impact on overall mission designs, in particular for the planned nuclear-powered robotic missions under Project Prometheus and for long-duration manned missions to the Moon, Mars and beyond under Project Constellation. This requires that radiation and associated risk and hazards be assessed and mitigated at the earliest stages of the design process. Hence, RPS is another discipline needed to enhance the engineering competencies of conceptual design teams. Researchers collaborated closely with NASA experts in those disciplines, and in overall space systems design, at Langley Research Center and at the Jet Propulsion Laboratory. This report documents the results of this initial effort.

Mavris, Dimitri↗

NASA NTRSDate not supplied

A UNIQUE APPROACH TO ACHIEVING SIZE-CONSTRAINED QUASI-HALO ORBITS FOR THE ROMAN SPACE TELESCOPE

The Nancy Grace Roman Space Telescope (RST) is an infrared space observatory planned for launch in the mid-2020’s. The launch window design for RST is subject to a wide variety of simultaneous requirements that require careful consideration and control of mission orbits and the trajectories used to achieve them. This work describes an innovative methodology that blends classical methods with modern manifold approaches and numerical optimization to flexibly determine optimal transfers to desriable mission orbits for any day of the year.Solutions found with this highly automated strategy are gaurunteed to meet requirements by construction. Results show that RST can launch for 80% of the year using maneuvers that are well within the fuel budget, significantly reducing cost and risk to the mission

Lauren Schlenker↗

NASA NTRS1971

Control of functional differential equations to target sets in function space

Optimal control of systems governed by functional differential equations of retarded and neutral type is considered. Problems with function space initial and terminal manifolds are investigated. Existence of optimal controls, regularity, and bang-bang properties are discussed. Necessary and sufficient conditions are derived, and several solved examples which illustrate the theory are presented.

Banks, H. T.↗

NASA NTRS1972

Control of functional differential equations of retarded and neutral type to target sets in function space.

Optimal control of systems governed by functional differential equations of retarded and neutral type is considered. Problems with function space initial and terminal manifolds are investigated. Existence of optimal controls, regularity, and bang-bang properties are discussed. Necessary and sufficient conditions are derived and several solved examples which illustrate the theory are presented.

Banks, H. T.↗

DOE OSTI2023

Orca2

SAND2024-03236O Orca2 is a trajectory design and optimization code for constructing and solving problems numerically defined on homogeneous manifolds. Orca2 solves numerical trajectory design and optimization problems defined on Lie-type domains and operates primarily as a library requiring a user to write additional C++ code to leverage it. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Sparapany, Michael↗

DOE OSTI2025

Using "AI Poincare" to analyze non-linear integrable optics

This study dives into the applicability of using automated discovery of conserved quantities in dynamical systems relevant to accelerator physics. Specifically, we explore the performance of AI Poincaré in analyzing numerical trajectory data obtained using the McMillan system of non-linear integrable optics. A comprehensive evaluation of the algorithm's performance is conducted through diverse methodologies. These include the analysis of the estimated number of conserved quantities embedded in a dataset and the deviation of interpolated points on the inferred manifold with respect to points in actually in the dataset. the investigation identifies an optimal range of perturbation distances where the underlying manifold extraction algorithm inside AI Poincaré exhibits optimal performance. Additionally, an improved neural network architecture is proposed based on the observed results. Finally, we apply the algorithm to preliminary experimental data from the Integrable Optics Test Accelerator at Fermilab to successfully infer the number of conserved quantities even in the presence of fast decoherence of the measured signal.

Osmanov, Lazare [Free U. Tbilisi]↗

NASA NTRS1991

Aerospace plane guidance using time-scale decomposition - A geometric approach

A method is proposed for developing the necessary guidance logic to steer single-stage vehicles into orbit. The minimum-fuel ascent problem is first considered to analyze the effects of dynamic pressure, acceleration, and heating constraints on guidance systems to thereby develop the guidance logic. The optimal solution consists of behavior with two time scales, and the control law is used to develop near-optimal guidance. The solution uses the slow manifold to delineate the control for minimum-fuel reduced-order trajectory and a separate control for tracking the optimal reduced-order trajectory. A family of fast manifolds is then employed to resolve the tracking problem via the feedback linearization methodology from nonlinear geometric control theory. The two-time-scale decomposition is found to produce a near-optimal ascent by tracking the applicable state-constraint boundary, as well as to simplify the control-design task.

Van Buren, Mark A.↗

DOE OSTI2024

Active learning of ternary alloy structures and energies

Abstract Machine learning models with uncertainty quantification have recently emerged as attractive tools to accelerate the navigation of catalyst design spaces in a data-efficient manner. Here, we combine active learning with a dropout graph convolutional network (dGCN) as a surrogate model to explore the complex materials space of high-entropy alloys (HEAs). We train the dGCN on the formation energies of disordered binary alloy structures in the Pd-Pt-Sn ternary alloy system and improve predictions on ternary structures by performing reduced optimization of the formation free energy, the target property that determines HEA stability, over ensembles of ternary structures constructed based on two coordinate systems: (a) a physics-informed ternary composition space, and (b) data-driven coordinates discovered by the Diffusion Maps manifold learning scheme. Both reduced optimization techniques improve predictions of the formation free energy in the ternary alloy space with a significantly reduced number of DFT calculations compared to a high-fidelity model. The physics-based scheme converges to the target property in a manner akin to a depth-first strategy, whereas the data-driven scheme appears more akin to a breadth-first approach. Both sampling schemes, coupled with our acquisition function, successfully exploit a database of DFT-calculated binary alloy structures and energies, augmented with a relatively small number of ternary alloy calculations, to identify stable ternary HEA compositions and structures. This generalized framework can be extended to incorporate more complex bulk and surface structural motifs, and the results demonstrate that significant dimensionality reduction is possible in thermodynamic sampling problems when suitable active learning schemes are employed.

Chemistry↗