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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

flowVS: channel-specific variance stabilization in flow cytometry

Abstract Background Comparing phenotypes of heterogeneous cell populations from multiple biological conditions is at the heart of scientific discovery based on flow cytometry (FC). When the biological signal is measured by the average expression of a biomarker, standard statistical methods require that variance be approximately stabilized in populations to be compared. Since the mean and variance of a cell population are often correlated in fluorescence-based FC measurements, a preprocessing step is needed to stabilize the within-population variances. Results We present a variance-stabilization algorithm, called flowVS, that removes the mean-variance correlations from cell populations identified in each fluorescence channel. flowVS transforms each channel from all samples of a data set by the inverse hyperbolic sine (asinh) transformation. For each channel, the parameters of the transformation are optimally selected by Bartlett’s likelihood-ratio test so that the populations attain homogeneous variances. The optimum parameters are then used to transform the corresponding channels in every sample. flowVS is therefore an explicit variance-stabilization method that stabilizes within-population variances in each channel by evaluating the homoskedasticity of clusters with a likelihood-ratio test. With two publicly available datasets, we show that flowVS removes the mean-variance dependence from raw FC data and makes the within-population variance relatively homogeneous. We demonstrate that alternative transformation techniques such as flowTrans, flowScape, logicle, and FCSTrans might not stabilize variance. Besides flow cytometry, flowVS can also be applied to stabilize variance in microarray data. With a publicly available data set we demonstrate that flowVS performs as well as the VSN software, a state-of-the-art approach developed for microarrays. Conclusions The homogeneity of variance in cell populations across FC samples is desirable when extracting features uniformly and comparing cell populations with different levels of marker expressions. The newly developed flowVS algorithm solves the variance-stabilization problem in FC and microarrays by optimally transforming data with the help of Bartlett’s likelihood-ratio test. On two publicly available FC datasets, flowVS stabilizes within-population variances more evenly than the available transformation and normalization techniques. flowVS-based variance stabilization can help in performing comparison and alignment of phenotypically identical cell populations across different samples. flowVS and the datasets used in this paper are publicly available in Bioconductor.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Analytic continuation of noisy data using Adams Bashforth residual neural network

We propose a data-driven learning framework for the analytic continuation problem in numerical quantum many-body physics. Designing an accurate and efficient framework for the analytic continuation of imaginary time using computational data is a grand challenge that has hindered meaningful links with experimental data. The standard Maximum Entropy (MaxEnt)-based method is limited by the quality of the computational data and the availability of prior information. Also, the MaxEnt is not able to solve the inversion problem under high level of noise in the data. Here we introduce a novel learning model for the analytic continuation problem using a Adams-Bashforth residual neural network (AB-ResNet). Additionally, the advantage of this deep learning network is that it is model independent and, therefore, does not require prior information concerning the quantity of interest given by the spectral function. More importantly, the ResNet-based model achieves higher accuracy than MaxEnt for data with higher level of noise. Finally, numerical examples show that the developed AB-ResNet is able to recover the spectral function with accuracy comparable to MaxEnt where the noise level is relatively small.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1988

Robust design of distributed controllers for large flexible space structures

Independent Modal Space Control (IMSC) method avoids control spillover generated by conventional control schemes such as Coupled Modal Control by decoupling the large flexible space structure into independent subsystems of second order and controlling each mode independently. The IMSC implementation requires that the number of actuators be equal to that of modeled modes, which is in general very huge. Consequently the number of required actuators is unrealizable. Two methods are proposed for the implementation of IMSC with reduced number of actuators. In the first method, the first m modes are optimized, leaving the last (n-m) modes unchanged. In the second method, generalized inverse matrices are employed to design the feedback controller so that the control scheme is suboptimal with respect to IMSC. The performance of the proposed methods is tested by performing computer simulation on a simply support beam. Simulation results are presented and discussed.

Nguyen, Charles C.↗
NASA NTRS1991

Improving the Reliability and Modal Stability of High Power 870 nm AlGaAs CSP Laser Diodes for Applications to Free Space Communication Systems

The operating characteristics (power-current, beam divergence, etc.) and reliability assessment of high-power CSP lasers is discussed. The emission wavelength of these lasers was optimized at 860 to 880 nm. The operational characteristics of a new laser, the inverse channel substrate planar (ICSP) laser, grown by metalorganic chemical vapor deposition (MOCVD), is discussed and the reliability assessment of this laser is reported. The highlights of this study include a reduction in the threshold current value for the laser to 15 mA and a degradation rate of less than 2 kW/hr for the lasers operating at 60 mW of peak output power.

Connolly, J. C.↗
NASA NTRS1993

Adjoint methods for aerodynamic wing design

A model inverse design problem is used to investigate the effect of flow discontinuities on the optimization process. The optimization involves finding the cross-sectional area distribution of a duct that produces velocities that closely match a targeted velocity distribution. Quasi-one-dimensional flow theory is used, and the target is chosen to have a shock wave in its distribution. The objective function which quantifies the difference between the targeted and calculated velocity distributions may become non-smooth due to the interaction between the shock and the discretization of the flowfield. This paper offers two techniques to resolve the resulting problems for the optimization algorithms. The first, shock-fitting, involves careful integration of the objective function through the shock wave. The second, coordinate straining with shock penalty, uses a coordinate transformation to align the calculated shock with the target and then adds a penalty proportional to the square of the distance between the shocks. The techniques are tested using several popular sensitivity and optimization methods, including finite-differences, and direct and adjoint discrete sensitivity methods. Two optimization strategies, Gauss-Newton and sequential quadratic programming (SQP), are used to drive the objective function to a minimum.

Grossman, Bernard↗
NASA NTRSDate not supplied

Examination of Unified Control Incorporating Generalized Control Allocation

Hybrid vehicles which combine vertical take off and landing with cruise configurations pose a unique challenge for control design and implementation. For this class of vehicle, successful control designs have historically broken the flight envelope into phases of flight and modified the control approach for each phase. This research approaches control in a unified way across the entire envelope utilizing a robust optimal design which provides effect or weighting then implemented in a generalized Affine Generalized Inverse control allocation algorithm. System performance for a Lift plus Cruise class vehicle is presented.

Unified Control,Control Allocation↗
NASA NTRS2006

Stochastic Evolutionary Algorithms for Planning Robot Paths

A computer program implements stochastic evolutionary algorithms for planning and optimizing collision-free paths for robots and their jointed limbs. Stochastic evolutionary algorithms can be made to produce acceptably close approximations to exact, optimal solutions for path-planning problems while often demanding much less computation than do exhaustive-search and deterministic inverse-kinematics algorithms that have been used previously for this purpose. Hence, the present software is better suited for application aboard robots having limited computing capabilities (see figure). The stochastic aspect lies in the use of simulated annealing to (1) prevent trapping of an optimization algorithm in local minima of an energy-like error measure by which the fitness of a trial solution is evaluated while (2) ensuring that the entire multidimensional configuration and parameter space of the path-planning problem is sampled efficiently with respect to both robot joint angles and computation time. Simulated annealing is an established technique for avoiding local minima in multidimensional optimization problems, but has not, until now, been applied to planning collision-free robot paths by use of low-power computers.

Fink, Wolfgang↗
DOE OSTI2015

Balancing aggregation and smoothing errors in inverse models

Inverse models use observations of a system (observation vector) to quantify the variables driving that system (state vector) by statistical optimization. When the observation vector is large, such as with satellite data, selecting a suitable dimension for the state vector is a challenge. A state vector that is too large cannot be effectively constrained by the observations, leading to smoothing error. However, reducing the dimension of the state vector leads to aggregation error as prior relationships between state vector elements are imposed rather than optimized. Here we present a method for quantifying aggregation and smoothing errors as a function of state vector dimension, so that a suitable dimension can be selected by minimizing the combined error. Reducing the state vector within the aggregation error constraints can have the added advantage of enabling analytical solution to the inverse problem with full error characterization. We compare three methods for reducing the dimension of the state vector from its native resolution: (1) merging adjacent elements (grid coarsening), (2) clustering with principal component analysis (PCA), and (3) applying a Gaussian mixture model (GMM) with Gaussian pdfs as state vector elements on which the native-resolution state vector elements are projected using radial basis functions (RBFs). The GMM method leads to somewhat lower aggregation error than the other methods, but more importantly it retains resolution of major local features in the state vector while smoothing weak and broad features.

Turner, A. J.↗
NASA NTRS1999

Analysis and Inverse Design of the HSR Arrow Wing Configuration with Fuselage, Wing, and Flow Through Nacelles

The design process for developing the natural flow wing design on the HSR arrow wing configuration utilized several design tools and analysis methods. Initial fuselage/wing designs were generated with inviscid analysis and optimization methods in conjunction with the natural flow wing design philosophy. A number of designs were generated, satisfying different system constraints. Of the three natural flow wing designs developed, the NFWAc2 configuration is the design which satisfies the constraints utilized by McDonnell Douglas Aerospace (MDA) in developing a series of optimized configurations; a wind tunnel model of the MDA designed OPT5 configuration was constructed and tested. The present paper is concerned with the viscous analysis and inverse design of the arrow wing configurations, including the effects of the installed diverters/nacelles. Analyses were conducted with OVERFLOW, a Navier-Stokes flow solver for overset grids. Inverse designs were conducted with OVERDISC, which couples OVERFLOW with the CDISC inverse design method. An initial system of overset grids was generated for the OPT5 configuration with installed diverters/nacelles. An automated regridding process was then developed to use the OPT5 component grids to create grids for the natural flow wing designs. The inverse design process was initiated using the NFWAc2 configuration as a starting point, eventually culminating in the NFWAc4 design-for which a wind tunnel model was constructed. Due to the time constraints on the design effort, initial analyses and designs were conducted with a fairly coarse grid; subsequent analyses have been conducted on a refined system of grids. Comparisons of the computational results to experiment are provided at the end of this paper.

Krist, Steven E.↗
DOE OSTI2022

Invertible Neural Networks for Airfoil Design

We report the airfoil design problem, in which an engineer seeks a shape with desired performance characteristics, is fundamental to aerodynamics. Design workflows traditionally rely on iterative optimization methods using low-fidelity integral boundary-layer methods as higher-fidelity adjoint-based computational fluid dynamics methods are computationally expensive. Surrogate-based approaches can accelerate the design process but still rely on some iterative inverse design procedure. In this work, we leverage emerging invertible neural network (INN) tools to enable the rapid inverse design of airfoil shapes for wind turbines. INNs are specialized deep-learning models with well-defined inverse mappings. When trained appropriately, INN surrogate models are capable of forward prediction of aerodynamic and structural quantities for a given airfoil shape as well as inverse recovery of airfoil shapes with specified aerodynamic and structural characteristics. The INN approach offers a roughly 100 times speed-up compared to adjoint-based methods for inverse design. We demonstrate the INN tool for inverse design on three test cases of 100 airfoils each that satisfy the performance characteristics close to those of airfoils used in wind-turbine blades. All generated shapes satisfy the desired aerodynamic characteristics, demonstrating the success of the INN approach for inverse design of airfoils.

17 WIND ENERGY↗
DOE OSTI2023

Accelerating and stabilizing the convergence of vibrational self-consistent field calculations via the direct inversion of the iterative subspace (vDIIS) algorithm

The vibrational self-consistent field (VSCF) method yields anharmonic states and spectra for molecular vibrations, and it serves as the starting point for more sophisticated correlated-vibration methods. Convergence of the iterative, non-linear optimization in VSCF calculations can be erratic or altogether unsuccessful, particularly for chemical systems involving low-frequency motions. In this work, a vibrational formulation of the Direct Inversion of the Iterative Subspace method of Pulay is presented and investigated. This formulation accounts for distinct attributes of the vibrational and electronic cases, including the expansion of each single-mode vibrational wavefunction in its own basis set. The resulting Direct Inversion of the Iterative Subspace method is shown to substantially accelerate VSCF convergence in all convergent cases as well as rectify many cases where Roothaan-based methods fail. Performance across systems ranging from small, rigid molecules to weakly bound molecular clusters is investigated in this analysis.

Chemistry↗
NASA NTRS1991

Estimation of optimal Kalman filter gain from non-optimal filter residuals

This paper presents a novel method of estimating the optimal steady state Kalman filter gain of a linear discrete time-invariant system from a non-optimal Kalman filter residual sequence. The relation between the optimal residual sequence and a signal derived from the non-optimal residual sequence is described by a Moving Average (MA) model whose coefficients are expressed in terms of the state space parameters and the optimal steady state Kalman filter gain. In order to identify the MA model, a whitening filter of the derived signal, which corresponds to an AutoRegressive (AR) model of the signal, is first identified using the least-squares method. Then the inverse filter of the whitening filter, which corresponds to the MA model, is calculated. From the coefficients of the identified MA model, the optimal steady state Kalman filter gain can be obtained. Numerical example is provided to illustrate the feasibility of this approach.

Chen, Chung-Wen↗
DOE OSTI2020

Grand canonical inverse design of multicomponent colloidal crystals

Inverse design methods are powerful computational approaches for creating colloidal systems which self-assemble into a target morphology by reverse engineering the Hamiltonian of the system. Despite this, these optimization procedures tend to yield Hamiltonians which are too complex to be experimentally realized. An alternative route to complex structures involves the use of several different components, however, conventional inverse design methods do not explicitly account for the possibility of phase separation into compositionally distinct structures. We present an inverse design scheme for multicomponent colloidal systems by combining active learning with a method to directly compute their ground state phase diagrams. This explicitly accounts for phase separation and can locate stable regions of Hamiltonian parameter space which grid-based surveys are prone to miss. Using this we design low-density, binary structures with Lennard-Jones-like pairwise interactions that are simpler than in the single component case and potentially realizable in an experimental setting. This reinforces the concept that ground states of simple, multicomponent systems might be rich with previously unappreciated diversity, enabling the assembly of non-trivial structures with only few simple components instead of a single complex one.

36 MATERIALS SCIENCE↗
NASA NTRS2003

Aerodynamic Shape Optimization Using Hybridized Differential Evolution

An aerodynamic shape optimization method that uses an evolutionary algorithm known at Differential Evolution (DE) in conjunction with various hybridization strategies is described. DE is a simple and robust evolutionary strategy that has been proven effective in determining the global optimum for several difficult optimization problems. Various hybridization strategies for DE are explored, including the use of neural networks as well as traditional local search methods. A Navier-Stokes solver is used to evaluate the various intermediate designs and provide inputs to the hybrid DE optimizer. The method is implemented on distributed parallel computers so that new designs can be obtained within reasonable turnaround times. Results are presented for the inverse design of a turbine airfoil from a modern jet engine. (The final paper will include at least one other aerodynamic design application). The capability of the method to search large design spaces and obtain the optimal airfoils in an automatic fashion is demonstrated.

Madavan, Nateri K.↗
NASA NTRS1990

Optimal impulsive time-fixed orbital rendezvous and interception with path constraints

Minimum-fuel, impulsive, time-fixed solutions are obtained for the problem of orbital rendezvous and interception with interior path constraints. Transfers between coplanar circular orbits in an inverse-square gravitational field are considered, subject to a circular path constraint representing a minimum or maximum permissible orbital radius. Primer vector theory is extended to incorporate path constraints. The optimal number of impulses, their times and positions, and the presence of initial or final coasting arcs are determined. The existence of constraint boundary arcs and boundary points is investigated as well as the optimality of a class of singular arc solutions. To illustrate the complexities introduced by path constraints, an analysis is made of optimal rendezvous in field-free space subject to a minimum radius constraint.

Taur, D.-R.↗
DOE OSTI2017

Nonlatching positive feedback enables robust bimodality by decoupling expression noise from the mean

Fundamental to biological decision-making is the ability to generate bimodal expression patterns where two alternate expression states simultaneously exist. Here in this study, we use a combination of single-cell analysis and mathematical modeling to examine the sources of bimodality in the transcriptional program controlling HIV’s fate decision between active replication and viral latency. We find that the HIV Tat protein manipulates the intrinsic toggling of HIV’s promoter, the LTR, to generate bimodal ON-OFF expression, and that transcriptional positive feedback from Tat shifts and expands the regime of LTR bimodality. This result holds for both minimal synthetic viral circuits and full-length virus. Strikingly, computational analysis indicates that the Tat circuit’s non-cooperative ‘non-latching’ feedback architecture is optimized to slow the promoter’s toggling and generate bimodality by stochastic extinction of Tat. In contrast to the standard Poisson model, theory and experiment show that non-latching positive feedback substantially dampens the inverse noise-mean relationship to maintain stochastic bimodality despite increasing mean-expression levels. Given the rapid evolution of HIV, the presence of a circuit optimized to robustly generate bimodal expression appears consistent with the hypothesis that HIV’s decision between active replication and latency provides a viral fitness advantage. More broadly, the results suggest that positive-feedback circuits may have evolved not only for signal amplification but also for robustly generating bimodality by decoupling expression fluctuations (noise) from mean expression levels.

59 BASIC BIOLOGICAL SCIENCES↗