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Results for “Inverse Optimization”

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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Waveguide CO2 laser gain: Dependence on gas kinetic and discharge properties

Using a simple rate equation approach the gas kinetic and discharge properties of waveguide CO2 lasers were examined. The dependence was calculated of the population inversion and laser small signal gain on gas pressure, gas mixture, pumping rate (discharge current), tube bore diameter, and wall temperature. At higher pressures the gain is optimized by using more helium rich mixtures and smaller bore diameters. The dependence of laser tunability on the gas kinetic properties and cavity losses was determined, it was found that for loss cavities the laser tunability may substantially exceed the molecular fullwidth at half maximum. The more helium rich gas mixtures give greater tunability when cavity losses are small and less tunability when cavity losses are large. The role of the various gases in the waveguide CO2 laser is the same as that in conventional devices, by contrast with conventional lasers, the waveguide laser transition is homogeneously broadened. The dependence of gain on gas pressure and other kinetic and discharge properties differs substantially from that predicted by scaling results from conventional low pressure lasers.

Cohen, S. C.↗
NASA NTRS1990

Gamma guidance of trajectories for coplanar, aeroassisted orbital transfer

The optimization and guidance of trajectories for coplaner, aeroassisted orbital transfer (AOT) from high Earth orbit (HEO) to low Earth orbit (LEO) are examined. In particular, HEO can be a geosynchronous Earth orbit (GEO). It is assumed that the initial and final orbits are circular, that the gravitational field is central and is governed by the inverse square law, and that at most three impulses are employed: one at HEO exit, one at atmospheric exit, and one at LEO entry. It is also assumed that, during the atmospheric pass, the trajectory is controlled via the lift coefficient. The presence of upper and lower bounds on the lift coefficient is considered. First, optimal trajectories are computed by minimizing the total velocity impulse (hence, the propellant consumption) required for AOT transfer. The sequential gradient-restoration algorithm (SGRA) is used for optimal control problems. The optimal trajectory is shown to include two branches: a relatively short descending flight branch (branch 1) and a long ascending flight branch (branch 2). Next, attention is focused on guidance trajectories capable of approximating the optimal trajectories in real time, while retaining the essential characteristics of simplicity, ease of implementation, and reliability. For the atmospheric pass, a feedback control scheme is employed and the lift coefficient is adjusted according to a two-stage gamma guidance law. Further improvements are possible via a modified gamma guidance which is more stable with respect to dispersion effects arising from navigation errors, variations of the atmospheric density, and uncertainties in the aerodynamic coefficients than gamma guidance trajectory. A byproduct of the studies on dispersion effects is the following design concept. For coplaner aeroassisted orbital transfer, the lift-range-to-weight ratio appears to play a more important role than the lift-to-drag ratio. This is because the lift-range-to-weight ratio controls mainly the minimum altitude (hence, the peak heating rate) of the guidance trajectory; on the other hand, the lift-to-drag ratio controls mainly the duration of the atmospheric pass of the guidance trajectory.

Miele, A.↗
NASA NTRS1988

Galerkin approximation for inverse problems for nonautonomous nonlinear distributed systems

An abstract framework and convergence theory is developed for Galerkin approximation for inverse problems involving the identification of nonautonomous nonlinear distributed parameter systems. A set of relatively easily verified conditions is provided which are sufficient to guarantee the existence of optimal solutions and their approximation by a sequence of solutions to a sequence of approximating finite dimensional identification problems. The approach is based on the theory of monotone operators in Banach spaces and is applicable to a reasonably broad class of nonlinear distributed systems. Operator theoretic and variational techniques are used to establish a fundamental convergence result. An example involving evolution systems with dynamics described by nonstationary quasilinear elliptic operators along with some applications are presented and discussed.

Banks, H. T.↗
NASA NTRS1988

Inversion of helioseismology data

The paper presents an algorithm for performing an inversion of helioseismology data. The method is characterized by high speed, stability, and versatility. The existence of a method for producing an analog of the Backus-Gilbert optimal kernals is demonstrated. The method performs well, even when a moderate amount of observational noise is included.

Jeffrey, W.↗
NASA NTRS1987

Kinematically redundant robot manipulators

Research on control, design and programming of kinematically redundant robot manipulators (KRRM) is discussed. These are devices in which there are more joint space degrees of freedom than are required to achieve every position and orientation of the end-effector necessary for a given task in a given workspace. The technological developments described here deal with: kinematic programming techniques for automatically generating joint-space trajectories to execute prescribed tasks; control of redundant manipulators to optimize dynamic criteria (e.g., applications of forces and moments at the end-effector that optimally distribute the loading of actuators); and design of KRRMs to optimize functionality in congested work environments or to achieve other goals unattainable with non-redundant manipulators. Kinematic programming techniques are discussed, which show that some pseudo-inverse techniques that have been proposed for redundant manipulator control fail to achieve the goals of avoiding kinematic singularities and also generating closed joint-space paths corresponding to close paths of the end effector in the workspace. The extended Jacobian is proposed as an alternative to pseudo-inverse techniques.

Baillieul, J.↗
NASA NTRS2009

Automation of a Versatile Crane (the LSMS) for Lunar Outpost Construction, Maintenance and Inspection

Devices for lifting, translating and precisely placing payloads are critical for efficient Earth-based construction operations. Both recent and past studies have demonstrated that devices with similar functionality will be needed to support lunar outpost operations. Although several designs have been developed for Earth based applications, these devices lack unique design characteristics necessary for transport to and use on the harsh lunar surface. These design characteristics include: a) lightweight components, b) compact packaging for launch, c) automated deployment, d) simple in-field reconfiguration and repair, and e) support for tele-operated or automated operations. Also, because the cost to transport mass to the lunar surface is very high, the number of devices that can be dedicated to surface operations will be limited. Thus, in contrast to Earth-based construction, where many single-purpose devices dominate a construction site, a lunar outpost will require a limited number of versatile devices that provide operational benefit from initial construction through sustained operations. The first generation test-bed of a new high performance device, the Lunar Surface Manipulation System (LSMS) has been designed, built and field tested. The LSMS has many unique features resulting in a mass efficient solution to payload handling on the lunar surface. Typically, the LSMS device mass is estimated at approximately 3% of the mass of the heaviest payload lifted at the tip, or 1.8 % of the mass of the heaviest mass lifted at the elbow or mid-span of the boom for a high performance variant incorporating advanced structural components. Initial operational capabilities of the LSMS were successfully demonstrated during field tests at Moses Lake, Washington using a tele-operated approach. Joint angle sensors have been developed for the LSMS to improve operator situational awareness. These same sensors provide the necessary information to support fully automated operations, greatly expanding the operational versatility of the LSMS. This paper develops the equations describing the forward and inverse relation between LSMS joint angles and Cartesian coordinates of the LSMS tip. These equations allow a variety of schemes to be used to maneuver the LSMS to optimize the maneuver. One such scheme will be described in detail that eliminates undesirable swinging of the payload at the conclusion of a maneuver, even when the payload is suspended from a passive rigid link. The swinging is undesirable when performing precision maneuvers, such as aligning an object for mating or positioning a camera. Use of the equations described here enables automated control of the LSMS greatly improving its operational versatility.

Doggett, William R.↗
NASA NTRS1994

Preconditioned domain decomposition scheme for three-dimensional aerodynamic sensitivity analysis

A discrete sensitivity analysis algorithm had previously been developed and applied to two-dimensional aerodynamic optimization problems, where the computational domains were discretized by using single grids. The sparse, unsymmetric systems of linear equations resulting from this algorithm were solved by a direct matrix inversion matrix. However, for large two-dimensional problems and, practically, all three-dimensional problems, direct inversion methods become inapplicable, primarily due to the prohibitive computer storage needed. In an attempt to alleviate such hindrances, the sensitivity analysis with domain decomposition (SADD) scheme was developed. This scheme divides the computational domain into smaller and nonoverlapping subdomains (multiblock grids) that are solved separately. Then, the final solution is constructed from the subdomain solutions. As the number of grid points in the interface boundaries of the subdomains becomes large, the computer memory required to store the effective coefficient matrix of these interface points starts to increase. Presented in this Technical Note is a preconditioned iterative procedure to overcome this particular problem.

Eleshaky, Mohamed E.↗
NASA NTRS2013

Real-Time Minimization of Tracking Error for Aircraft Systems

This technology presents a novel, stable, discrete-time adaptive law for flight control in a Direct adaptive control (DAC) framework. Where errors are not present, the original control design has been tuned for optimal performance. Adaptive control works towards achieving nominal performance whenever the design has modeling uncertainties/errors or when the vehicle suffers substantial flight configuration change. The baseline controller uses dynamic inversion with proportional-integral augmentation. On-line adaptation of this control law is achieved by providing a parameterized augmentation signal to a dynamic inversion block. The parameters of this augmentation signal are updated to achieve the nominal desired error dynamics. If the system senses that at least one aircraft component is experiencing an excursion and the return of this component value toward its reference value is not proceeding according to the expected controller characteristics, then the neural network (NN) modeling of aircraft operation may be changed.

Garud, Sumedha↗
NASA NTRS1976

Analytical and experimental design and analysis of an optimal processor for image registration

The author has identified the following significant results. A quantitative measure of the registration processor accuracy in terms of the variance of the registration error was derived. With the appropriate assumptions, the variance was shown to be inversely proportional to the square of the effective bandwidth times the signal to noise ratio. The final expressions were presented to emphasize both the form and simplicity of their representation. In the situation where relative spatial distortions exist between images to be registered, expressions were derived for estimating the loss in output signal to noise ratio due to these spatial distortions. These results are in terms of a reduction factor.

Mcgillem, C. D.↗
DOE OSTI2025

Inverse design of photonic surfaces via multi fidelity ensemble framework and femtosecond laser processing

We demonstrate a multi-fidelity (MF) machine learning ensemble framework for the inverse design of photonic surfaces, trained on a dataset of 11,759 samples that we fabricate using high throughput femtosecond laser processing. The MF ensemble combines an initial low fidelity model for generating design solutions, with a high fidelity model that refines these solutions through local optimization. The combined MF ensemble can generate multiple disparate sets of laser-processing parameters that can each produce the same target input spectral emissivity with high accuracy (root mean squared errors < 2%). SHapley Additive exPlanations analysis shows transparent model interpretability of the complex relationship between laser parameters and spectral emissivity. Finally, the MF ensemble is experimentally validated by fabricating and evaluating photonic surface designs that it generates for improved efficiency energy harvesting devices. Our approach provides a powerful tool for advancing the inverse design of photonic surfaces in energy harvesting applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

RLMolLM: Reinforcement Learning-Enhanced Language Model Framework for Inverse Molecular Design

Inverse molecular design faces significant challenges due to vast chemical space and complex property requirements. While language models show promise for molecular generation, they struggle with validity, multi-property optimization, and structural constraints. This work presents RLMolLM, a reinforcement learning framework combining Proximal Policy Optimization (PPO) with genetic algorithms to address these limitations. Our approach optimizes multiple user-specified properties including quantitative estimates of drug-likeness (QED), synthetic accessibility (SA), and ADMET (absorption, distribution, metabolism, excretion, and toxicity) endpoints without requiring complete model retraining, while maintaining capability for scaffold-constrained generation where specific substructures must be preserved. We outperform state-of-the-art methods for molecular optimization, achieving best QED scores across GDB13, Moses, and Zinc datasets with up to 31% improvement over previous methods while maintaining excellent validity, uniqueness, and novelty metrics. For simultaneous multi-property optimization, our framework achieves substantial improvements in ADMET properties including 4.5-fold reduction in hERG toxicity and enhanced Caco-2 permeability compared to Moses dataset. Under structural constraints, the framework significantly improves molecular validity while preserving scaffolds and effectively optimizing properties. In conclusion, this versatile solution advances pharmaceutical and materials molecular design through effective integration of reinforcement learning and genetic algorithms with multi-property optimization and scaffold preservation.

Genetic algorithms↗
DOE OSTI2025

Polynomial Scaling Localized Active Space Unitary Selective Coupled Cluster Singles and Doubles

We present a polynomial-scaling algorithm for the localized active space unitary selective coupled cluster singles and doubles (LAS-USCCSD) method. In this approach, cluster excitations are selected based on a threshold ϵ determined by the absolute gradients of the LAS-UCCSD energy with respect to cluster amplitudes. Using the generalized Wick’s theorem for multireference wave functions, we derive the gradient expression as a polynomial function of one-, two-, and three-body reduced density matrices and 1- and 2-electron integrals, valid for any multireference wave function. The resulting gradient implementation exhibits a memory scaling of 𝒪(N 6 ), with N spin orbitals in the combined active space of all fragments. The variational quantum eigensolver is used to optimize the selected cluster excitations on a quantum simulator. Furthermore, by plotting the energy error, defined as the difference between the LAS-USCCSD and corresponding CASCI energies, against the inverse cluster amplitude selection threshold (ϵ –1 ) for polyene chains containing 2 to 5 π-bond units, we establish a relationship between the energy error and the threshold. To further validate the accuracy of LAS-USCCSD, we computed the cis–trans isomerization energy of stilbene (a 20-qubit system) and the magnetic coupling constant of the tris-hydroxo-bridged chromium dimer [Cr 2 (OH) 3 (NH 3 ) 6 ] 3+ (evaluated as both 12- and 20-qubit systems) using the Qiskit-Qulacs simulator. Assessing such examples is important to determine the practical feasibility of quantum simulations for chemically realistic systems. Toward this goal, with the LAS-USCCSD algorithm we estimated the quantum resources required for simulating an active space of (30e,22o) in [Cr 2 (OH) 3 (NH 3 ) 6 ] 3+ , a size that remains beyond the reach of current quantum simulators for accurate treatment.

Algorithms↗
NASA NTRS2004

On Improving Efficiency of Differential Evolution for Aerodynamic Shape Optimization Applications

Differential Evolution (DE) is a simple and robust evolutionary strategy that has been proven effective in determining the global optimum for several difficult optimization problems. Although DE offers several advantages over traditional optimization approaches, its use in applications such as aerodynamic shape optimization where the objective function evaluations are computationally expensive is limited by the large number of function evaluations often required. In this paper various approaches for improving the efficiency of DE are reviewed and discussed. These approaches are implemented in a DE-based aerodynamic shape optimization method that uses a Navier-Stokes solver for the objective function evaluations. Parallelization techniques on distributed computers are used to reduce turnaround times. Results are presented for the inverse design of a turbine airfoil. The efficiency improvements achieved by the different approaches are evaluated and compared.

Madavan, Nateri K.↗
NASA NTRS2002

Defining Top-of-Atmosphere Flux Reference Level for Earth Radiation Budget Studies

To estimate the earth's radiation budget at the top of the atmosphere (TOA) from satellite-measured radiances, it is necessary to account for the finite geometry of the earth and recognize that the earth is a solid body surrounded by a translucent atmosphere of finite thickness that attenuates solar radiation differently at different heights. As a result, in order to account for all of the reflected solar and emitted thermal radiation from the planet by direct integration of satellite-measured radiances, the measurement viewing geometry must be defined at a reference level well above the earth s surface (e.g., 100 km). This ensures that all radiation contributions, including radiation escaping the planet along slant paths above the earth s tangent point, are accounted for. By using a field-of- view (FOV) reference level that is too low (such as the surface reference level), TOA fluxes for most scene types are systematically underestimated by 1-2 W/sq m. In addition, since TOA flux represents a flow of radiant energy per unit area, and varies with distance from the earth according to the inverse-square law, a reference level is also needed to define satellite-based TOA fluxes. From theoretical radiative transfer calculations using a model that accounts for spherical geometry, the optimal reference level for defining TOA fluxes in radiation budget studies for the earth is estimated to be approximately 20 km. At this reference level, there is no need to explicitly account for horizontal transmission of solar radiation through the atmosphere in the earth radiation budget calculation. In this context, therefore, the 20-km reference level corresponds to the effective radiative top of atmosphere for the planet. Although the optimal flux reference level depends slightly on scene type due to differences in effective transmission of solar radiation with cloud height, the difference in flux caused by neglecting the scene-type dependence is less than 0.1%. If an inappropriate TOA flux reference level is used to define satellite TOA fluxes, and horizontal transmission of solar radiation through the planet is not accounted for in the radiation budget equation, systematic errors in net flux of up to 8 W/sq m can result. Since climate models generally use a plane-parallel model approximation to estimate TOA fluxes and the earth radiation budget, they implicitly assume zero horizontal transmission of solar radiation in the radiation budget equation, and do not need to specify a flux reference level. By defining satellite-based TOA flux estimates at a 20-km flux reference level, comparisons with plane-parallel climate model calculations are simplified since there is no need to explicitly correct plane-parallel climate model fluxes for horizontal transmission of solar radiation through a finite earth.

Loeb, N. G.↗
NASA NTRS2021

Supercritical Water Oxidation (SCWO) Trade Study and 2021 Final Report

SCWO is a promising technology whose main benefits is that it is capable of completely mineralizing organic compounds in wastewater and separating inorganic salts. This means that SCWO can theoretically function as a single step water treatment system. It performs the functions of both the primary treatment system and the secondary brine drying function to achieve near 100% water recovery. It can also handle solids so no pretreatment of the feed is required. A preliminary trade study indicates that SCWO could be competitive with the ISS state of the art if its power consumption could be reduced. Thermal and mechanical energy recovery system exist that could reduce SCWO energy consumption to a level that is competitive with the state of the art. In addition, increasing the feed wastewaters organic content by including other wastes, such as feces, could produce a reactor that is thermally self-sustaining. There are 5 different types of SCWO reactors. They are; tubular, tank, impingement, transpiring wall reactors (TWR) and super critical water mixing (SCWM) reactors. Of these the best suited for NASA missions are the impingement and SCWM reactors. The impingement reactor is best suited for near term missions because it can treat the low organic content wastewaters such as are expected for initial Lunar and Mars missions and has the ability to remove precipitated inorganic solids. The SCWM reactor is best suited for longer duration CELSS type missions where high organic content wastewater is available and will resolve solids fouling and corrosion issues. In addition, these two reactors have a long NASA heritage and have been developed specifically for space flight application. Tubular reactors suffer from plugging issues which is a safety concern. Tank reactors will increase in size inversely with gravity, which will trade poorly in Lunar and Mars environments where gravity is reduced. TWR reactors require high organic content wastewater feed and the SCWM reactor is an optimized version of the TWR for NASA applications. It is recommended that in FY 2022 NASA continue to fully evaluate the ability of SCWO to produce potable water and remove inorganics as a solid byproduct. This should be done using the impingement reactor for near term missions and SCWM for longer duration missions. NASA should also develop optimized recuperative heat exchangers and pressure recovery devices to reduce power consumption and investigate inclusion of feces and other organic wastes into the wastewater model to increase its organic content and further reduce thermal energy requirements.

Supercritical Water Oxidation↗
NASA NTRS1977

Transformer design tradeoffs

In space, power system transformer components are frequently the heaviest and bulkiest items in the power conversion circuit. They also have a significant effect upon the overall performance and efficiency of the system. Accordingly, the design of such transformers has an important effect on overall system weight, power-inversion efficiency, and cost. Relationships were between the parameters used by transformer designers that can be used as new tools to standardize and simplify transformer design. They can be used to optimize the design either for small size and weight or efficiency. The metric system of units, rather than the familiar English units, is used; however, material is presented to assist the reader in the transition from one system to the other.

Mclyman, W. T.↗
NASA NTRS1999

Efficient Implementations of the Quadrature-Free Discontinuous Galerkin Method

The efficiency of the quadrature-free form of the dis- continuous Galerkin method in two dimensions, and briefly in three dimensions, is examined. Most of the work for constant-coefficient, linear problems involves the volume and edge integrations, and the transformation of information from the volume to the edges. These operations can be viewed as matrix-vector multiplications. Many of the matrices are sparse as a result of symmetry, and blocking and specialized multiplication routines are used to account for the sparsity. By optimizing these operations, a 35% reduction in total CPU time is achieved. For nonlinear problems, the calculation of the flux becomes dominant because of the cost associated with polynomial products and inversion. This component of the work can be reduced by up to 75% when the products are approximated by truncating terms. Because the cost is high for nonlinear problems on general elements, it is suggested that simplified physics and the most efficient element types be used over most of the domain.

Lockard, David P.↗