Search NASA⌕ Search

SEARCH · Search NASA

Results for “Linear 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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 523 records · Page 29

A hybrid approach to excited-state-specific variational Monte Carlo and doubly excited states

We extend our hybrid linear-method/accelerated-descent variational Monte Carlo optimization approach to excited states and investigate its efficacy in double excitations. In addition to showing a superior statistical efficiency when compared to the linear method, our tests on small molecules show good energetic agreement with benchmark methods. We also demonstrate the ability to treat double excitations in systems that are too large for a full treatment by using selected configuration interaction methods via an application to 4-aminobenzonitrile. Finally, we investigate the stability of state-specific variance optimization against collapse to other states’ variance minima and find that symmetry, Ansatz quality, and sample size all have roles to play in achieving stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

SU-E-T-258: Parallel Optimization of Beam Configurations for CyberKnife Treatments

Purpose: The CyberKnife delivers a large number of beams originating at different non-planar positions and with different orientation. We study how much the quality of treatment plans depends on the beams considered during plan optimization. Particularly, we evaluate a new approach to search for optimal treatment plans in parallel by running optimization steps concurrently. Methods: So far, no deterministic, complete and efficient method to select the optimal beam configuration for robotic SRS/SBRT is known. Considering a large candidate beam set increases the likelihood to achieve a good plan, but the optimization problem becomes large and impractical to solve. We have implemented an approach that parallelizes the search by solving multiple linear programming problems concurrently while iteratively resampling zero weighted beams. Each optimization problem contains the same set of constraints but different variables representing candidate beams. The search is synchronized by sharing the resulting basis variables among the parallel optimizations. We demonstrate the utility of the approach based on an actual spinal case with the objective to improve the coverage. Results: The objective function is falling and reaches a value of 5000 after 49, 31, 25 and 15 iterations for 1, 2, 4, and 8 parallel processes. This corresponds to approximately 97% coverage in 77%, 59%, and 36% of the mean number of iterations with one process for 2, 4, and 8 parallel processes, respectively. Overall, coverage increases from approximately 91.5% to approximately 98.5%. Conclusion: While on our current computer with uniform memory access the reduced number of iterations does not translate into a similar speedup, the approach illustrates how to effectively parallelize the search for the optimal beam configuration. The experimental results also indicate that for complex geometries the beam selection is critical for further plan optimization.

07 ISOTOPE AND RADIATION SOURCES↗

SU-F-J-105: Towards a Novel Treatment Planning Pipeline Delivering Pareto- Optimal Plans While Enabling Inter- and Intrafraction Plan Adaptation

Purpose: To develop a new IMRT treatment planning methodology suitable for the new generation of MR-linear accelerator machines. The pipeline is able to deliver Pareto-optimal plans and can be utilized for conventional treatments as well as for inter- and intrafraction plan adaptation based on real-time MR-data. Methods: A Pareto-optimal plan is generated using the automated multicriterial optimization approach Erasmus-iCycle. The resulting dose distribution is used as input to the second part of the pipeline, an iterative process which generates deliverable segments that target the latest anatomical state and gradually converges to the prescribed dose. This process continues until a certain percentage of the dose has been delivered. Under a conventional treatment, a Segment Weight Optimization (SWO) is then performed to ensure convergence to the prescribed dose. In the case of inter- and intrafraction adaptation, post-processing steps like SWO cannot be employed due to the changing anatomy. This is instead addressed by transferring the missing/excess dose to the input of the subsequent fraction. In this work, the resulting plans were delivered on a Delta4 phantom as a final Quality Assurance test. Results: A conventional static SWO IMRT plan was generated for two prostate cases. The sequencer faithfully reproduced the input dose for all volumes of interest. For the two cases the mean relative dose difference of the PTV between the ideal input and sequenced dose was 0.1% and −0.02% respectively. Both plans were delivered on a Delta4 phantom and passed the clinical Quality Assurance procedures by achieving 100% pass rate at a 3%/3mm gamma analysis. Conclusion: We have developed a new sequencing methodology capable of online plan adaptation. In this work, we extended the pipeline to support Pareto-optimal input and clinically validated that it can accurately achieve these ideal distributions, while its flexible design enables inter- and intrafraction plan adaptation. This research is financially supported by Elekta AB, Stockholm, Sweden.

60 APPLIED LIFE SCIENCES↗

High‐Efficiency Nonfullerene Organic Solar Cells: Critical Factors that Affect Complex Multi‐Length Scale Morphology and Device Performance

Organic solar cells (OSCs) made of donor/acceptor bulk‐heterojunction active layers have been of widespread interest in converting sunlight to electricity. Characterizing of the complex morphology at multiple length scales of polymer:nonfullerene small molecular acceptor (SMA) systems remains largely unexplored. Through detailed characterizations (hard/soft X‐ray scattering) of the record‐efficiency polymer:SMA system with a close analog, quantitative morphological parameters are related to the device performance parameters and fundamental morphology–performance relationships that explain why additive use and thermal annealing are needed for optimized performance are established. A linear correlation between the average purity variations at small length scale (≈10 nm) and photovoltaic device characteristics across all processing protocols is observed in ≈12%‐efficiency polymer:SMA systems. In addition, molecular interactions as reflected by the estimated Flory–Huggins interaction parameters are used to provide context of the room temperature morphology results. Comparison with results from annealed devices suggests that the two SMA systems compared show upper and lower critical solution temperature behavior, respectively. The in‐depth understanding of the complex multilength scale nonfullerene OSC morphology may guide the device optimization and new materials development and indicates that thermodynamic properties of materials systems should be studied in more detail to aid in designing optimized protocols efficiently.

Ye, Long↗

FES 2023 Theory & Simulation Performance Target

The Report for the 2023 Theory & Simulation Performance Target (TSPT) is presented herein. The 1st, 2nd and 3rd Quarter Reports are given in Sec. I, Sec. II and Sec. III. These are unchanged from those previously submitted, except that in this final document the equations, figures and citations have been automatically renumbered. The 4th Quarter Report is given in Sec. IV. The following material presents verification calculations of several widely used three-dimensional (3D) magnetohydrodynamic (MHD) equilibrium codes in strongly shaped configurations; for both fixed and free-boundary equilibria; for the so-called vacuum case and for the case of high plasma pressure; and, for magnetic fields that have nested magnetic surfaces and for fields that have a magnetic island. The configurations studied includes the recently discovered “precise-QA” case [Phys. Rev. Lett., 128, 035001 (2002)] and other highly optimized configurations. Because of the strong (extreme) shaping, the latter of these pose challenges to the 3D MHD codes. A new method is introduced for constructing coordinates in arbitrarily shaped toroidal domains, and this can improve the robustness of 3D equilibrium calculations. Beyond the equilibrium calculation, this report demonstrates the capability of performing non-linear extended-MHD modelling of optimized stellarator equilibria. This capability allows the assessment not only of linear stability thresholds but also of the nonlinear evolution of unstable equilibria to new configurations that might be far from the original configuration, with significantly different transport properties and magnetic topology. They also enable the self-consistent determination of pressure profiles in non-integrable magnetic topology through the use of highly anisotropic thermal-transport equations. The calculations presented here represent the first demonstration of extended-MHD calculations in strongly-shaped, optimized quasi-symmetric configurations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Coordinated Optimization and Control of Residential Solid State Power Substations in Electrical Distribution Network

This paper proposes a computationally efficient mixed integer linear programming (MILP) model for the coordinated optimization of solid-state power substations (SSPSs) in a feeder considering the full unbalanced three-phase structure of the distribution grid and its characteristics. The proposed model determines the optimal real and reactive power of each SSPS at the point of common coupling (PCC) that minimizes the operating cost and maximizes the system performance, e.g., voltage regulation and phase balancing. To improve the computational efficiency, an inscribed octagon is introduced to approximate the quadratic capacity constraints of components. Numerical simulation results show the effectiveness of the proposed model and significant improvements in voltage profiles and power imbalance between phases.

Liu, Guodong↗

Cyber-Physical Attacks With Control Objectives

This study studies attackers with control objectives against cyber-physical systems (CPSs). The goal of the attacker is to counteract the CPS's controller and move the system to a target state while evading detection. We formulate a cost function that reflects the attacker's goals, and, using dynamic programming, we show that the optimal attack strategy reduces to a linear feedback of the attacker's state estimate. By changing the parameters of the cost function, we show how an attacker can design optimal attacks to balance the control objective and the detection avoidance objective. In conclusion, we provide a numerical illustration based on a remotely controlled helicopter under attack.

97 MATHEMATICS AND COMPUTING↗

Branching Dueling Q-Network Based Online Scheduling of a Microgrid With Distributed Energy Storage Systems

This letter investigates a Branching Dueling Q-Network (BDQ) based online operation strategy for a microgrid with distributed battery energy storage systems (BESSs) operating under uncertainties. Additionally, the developed deep reinforcement learning (DRL) based microgrid online optimization strategy can achieve a linear increase in the number of neural network outputs with the number of distributed BESSs, which overcomes the curse of dimensionality caused by the charge and discharge decisions of multiple BESSs. Numerical simulations validate the effectiveness of the proposed method.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Communication: Analytical optimal pulse shapes obtained with the aid of genetic algorithms: Controlling the photoisomerization yield of retinal

We recently proposed a Quantum Optimal Control (QOC) method constrained to build pulses from analytical pulse shapes [R. D. Guerrero et al., J. Chem. Phys. 143(12), 124108 (2015)]. This approach was applied to control the dissociation channel yields of the diatomic molecule KH, considering three potential energy curves and one degree of freedom. In this work, we utilized this methodology to study the strong field control of the cis-trans photoisomerization of 11-cis retinal. This more complex system was modeled with a Hamiltonian comprising two potential energy surfaces and two degrees of freedom. The resulting optimal pulse, made of 6 linearly chirped pulses, was capable of controlling the population of the trans isomer on the ground electronic surface for nearly 200 fs. The simplicity of the pulse generated with our QOC approach offers two clear advantages: a direct analysis of the sequence of events occurring during the driven dynamics, and its reproducibility in the laboratory with current laser technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Interplane resistivity of underdoped single crystals (Ba1-xKx)Fe2As2(0<= x < 0.34)

The temperature-dependent interplane resistivity ρc(T) was measured in the hole-doped iron arsenide superconductor (Ba1-xKx)Fe2As2 over a doping range from parent compound to optimal doping at Tc≈38 K, 0≤x≤0.34. The measurements were undertaken on high-quality single crystals grown from FeAs flux. The coupled magnetic/structural transition at TSM leads to a clear accelerated decrease of ρc(T) on cooling in samples with Tc<26 K (x<0.25). This decrease in the hole-doped material is in notable contrast to the increase in ρc(T) in the electron-doped Ba(Fe1-xCox)Fe 2As2 and isoelectron-substituted BaFe2(As1-xPx)2. TSM decreases very sharply with doping, dropping from Ts=71 K to zero on increase of Tc from approximately 25 to 27 K. ρc(T) becomes linear in T close to optimal doping. The broad crossover maximum in ρc(T), found in the parent BaFe2As2 at around Tmax~200 K, shifts to higher temperature ~250 K with doping of x=0.34. The maximum shows clear correlation with the broad crossover feature found in the temperature-dependent in-plane resistivity ρa(T). The evolution with doping of Tmax in (Ba1-xKx)Fe2As2 is in notable contrast with both the rapid suppression of Tmax found in Ba(Fe1-xTx)2As2 (T=Co,Rh,Ni,Pd) and its rapid increase in BaFe2(As1-xPx)2. This observation suggests that pseudogap features are much stronger in hole-doped than in electron-doped iron-based superconductors, revealing significant electron-hole doping asymmetry similar to that in the cuprates.

36 MATERIALS SCIENCE↗

Gompertzian stochastic model with delay effect to cervical cancer growth

In this paper, a Gompertzian stochastic model with time delay is introduced to describe the cervical cancer growth. The parameters values of the mathematical model are estimated via Levenberg-Marquardt optimization method of non-linear least squares. We apply Milstein scheme for solving the stochastic model numerically. The efficiency of mathematical model is measured by comparing the simulated result and the clinical data of cervical cancer growth. Low values of Mean-Square Error (MSE) of Gompertzian stochastic model with delay effect indicate good fits.

60 APPLIED LIFE SCIENCES↗

Optimizing Signal Timing Control for Large Urban Traffic Networks Using an Adaptive Linear Quadratic Regulator Control Strategy

We discuss how traffic signal control is important for intersection safety and efficiency. However, most traffic signal control methods are designed for individual intersections or corridors. Although some adaptive control systems have been developed, the methods used are often proprietary and not published, making it difficult to evaluate their effectiveness. This study proposes an adaptive multi-input and multi-output traffic signal control method that not only can improve network-wide traffic operations in terms of reduced traffic delay and energy consumption, but also is more computationally feasible than existing centralized signal control methods. Considering intersection interactions, a linear dynamic traffic system model was built and adaptively updated to reflect how the signal control input of each intersection affects network-wide vehicle travel delay. Based on the system model, an adaptive linear-quadratic regulator (LQR) was designed to minimize both traffic delay and incremental changes in the control input. The proposed control method was evaluated in a microscopic traffic simulation environment with a 35-intersection network of Bellevue City, Washington. Simulation results show that the proposed method had shorter average traffic delays in the network when compared with the traffic delays controlled by the state-of-the-art max-pressure, self-organizing traffic lights, and independent deep Q network methods.

42 ENGINEERING↗

TU-CD-304-07: Intensity Modulated Electron Beam Therapy Employing Small Fields in Virtual Scanning Mode

Purpose: Dynamic electron radiation therapies such as dynamic electron arc radiotherapy (DEAR) utilize small fields to provide target conformity and fluence modulation. The purpose of this study is to demonstrate the feasibility of virtual scanning mode using small fields. Methods: Monte Carlo simulations (EGSnrc/BEAMnrc/DOSXYZnrc) were performed using validated Varian TrueBeam phase space files for electron beam energies of 6, 9, 12, and 16 MeV and square/circular fields (1×1/1, 2×2/2, 3×3/3, 4×4/4, 5×5/5 cm{sup 2}/cm diameter). Resulting dose distributions (kernels) were used for subsequent calculations. The following analyses were performed: (1) Comparison of composite square fields and reference 10×10 cm{sup 2} dose distributions and (2) Scanning beam deliveries for square and circular fields realized as the convolution of kernels and scanning pattern. Preliminary beam weight and pattern optimization were also performed. Two linear scans of 10 cm with/without overlap were modeled. Comparison metrics included depth and orthogonal profiles at dmax. Results: (1) Composite fields regained reference depth dose profiles for most energies and fields within 5%. Smaller kernels and higher energies increased dose in the build-up and Bremsstrahlung region (30%, 16MeV and 1×1 cm{sup 2}), while reference dmax was maintained for all energies and composite fields. Smaller kernels (<2×2 cm{sup 2}) maintained penumbra and field size within 0.2 cm, and flatness within 2%. Deterioration of penumbra for larger kernels (5×5 cm{sup 2}) were observed. Balancing desirable dosimetry and efficiencies suggests that smaller kernels are used at edges and larger kernels in the center of the target. (2) Beam weight optimization improved cross-plane penumbra (0.2 cm) and increased the field size (0.4 cm) on average. In-plane penumbra and field size remained unchanged. Overlap depended on kernel size and optimal overlap resulted in flatness ±2%. Conclusion: Dynamic electron beam therapy in virtual scanning mode is feasible by employing small fields to achieve desired dose distributions and acceptable efficiencies.

60 APPLIED LIFE SCIENCES↗

Stochastic growth logistic model with aftereffect for batch fermentation process

In this paper, the stochastic growth logistic model with aftereffect for the cell growth of C. acetobutylicum P262 and Luedeking-Piret equations for solvent production in batch fermentation system is introduced. The parameters values of the mathematical models are estimated via Levenberg-Marquardt optimization method of non-linear least squares. We apply Milstein scheme for solving the stochastic models numerically. The effciency of mathematical models is measured by comparing the simulated result and the experimental data of the microbial growth and solvent production in batch system. Low values of Root Mean-Square Error (RMSE) of stochastic models with aftereffect indicate good fits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Optical Performance Modeling of Linear Fresnel Reflector Systems

NREL’s SolTrace ray-tracing program is a powerful tool that can be invaluable to the design of concentrated solar power (CSP) systems. Hyperlight Energy has used this software to optimize several of the key characteristics of its linear Fresnel reflector (LFR) including the optimal height of the receiver and the shape of the secondary concentrator. After the system configuration has been determined, SolTrace can be used to predict the final system performance, and its sensitivity to various sources of error.

Kramer, Nick↗

Polyubiquitin ligand-induced phase transitions are optimized by spacing between ubiquitin units

Biomolecular condensates form via multivalent interactions among key macromolecules and are regulated through ligand binding and/or posttranslational modifications. One such modification is ubiquitination, the covalent addition of ubiquitin (Ub) or polyubiquitin chains to target macromolecules. Specific interactions between polyubiquitin chains and partner proteins, including hHR23B, NEMO, and UBQLN2, regulate condensate assembly or disassembly. Here, we used a library of designed polyubiquitin hubs and UBQLN2 as model systems for determining the driving forces of ligand-mediated phase transitions. Perturbations to either the UBQLN2-binding surface of Ub or the spacing between Ub units reduce the ability of hubs to modulate UBQLN2 phase behavior. By developing an analytical model based on polyphasic linkage principles that accurately described the effects of different hubs on UBQLN2 phase separation, we determined that introduction of Ub to UBQLN2 condensates incurs a significant inclusion energetic penalty. This penalty antagonizes the ability of polyUb hubs to scaffold multiple UBQLN2 molecules and cooperatively amplify phase separation. The extent to which polyubiquitin hubs promote UBQLN2 phase separation is encoded in the spacings between Ub units. This spacing is modulated by chains of different linkages and designed chains of different architectures, thus illustrating how the ubiquitin code regulates functionality via the emergent properties of the condensate. The spacing in naturally occurring linear polyubiquitin chains is already optimized to promote phase separation with UBQLN2. We expect our findings to extend to other condensates, emphasizing the importance of ligand properties, including concentration, valency, affinity, and spacing between binding sites in studies and designs of condensates.

97 MATHEMATICS AND COMPUTING↗

Sampling Size Optimization for Bioburden Density Estimation in Planetary Protection

Planetary protection (PP) is a discipline that focuses on minimizing the biological contamination of spacecraft to ensure compliance with international policy. Precise estimation of bioburden - the total number of microbes in or on spacecraft hardware – and the bioburden density are of utmost importance for PP. Such estimation is the way concordance with requirements is demonstrated, and it is critical for quantifying the potential risk of inadvertently contaminating other planetary bodies. Although a suite of molecular techniques have been used to thoroughly characterize and profile the microbiome of various cleanroom environments and spacecraft, the gold standard remains the physical enumeration of microbes via culturing of samples directly taken from spacecraft and associated surfaces. However, due to technical, budgetary, and programmatic constraints, only a manageable portion (around 10%) of the entire spacecraft surface is directly sampled with cotton swabs or wipes. To generate the bioburden current best estimate (CBE) for components not directly verifiable, the accepted approach is to apply a NASA-defined bioburden estimate based on the components’ manufacturing or assembly environment. This approach utilizes a prespecified bioburden density estimation that applies a maximum value across the total surface area of the specified component. For hardware components that underwent similar assembly processes, an implied bioburden is adopted for all components, based on a direct verification of a representative component within the same lot. Once all components have a CBE, the bioburden estimates are generated. In previous publication [ 1], we have shown that statistical risks quantifying the accuracy of the estimates for sampled, prespecified, and implied components can be derived and ranked. For mean squared error (MSE) function, the risks are available analytically and hence a cost function can be obtained to optimize the risks with respect to the sampling area and sampling cost. Since the sampling area and sampling cost are two complimentary variables, their sum will have a well-defined minimum. This paper presents the multivariate optimization of the integrated risk of an empirical Bayes estimator to determine the optimal sampling schedule for a given number of components. It is assumed that given a number of components, N, the bioburden density for each component can either be sampled, implied, or prespecified. The multivariate optimization searches through different options to sample, imply or prespecify the bioburden density for a component, and account for the component’s surface area and cost of sampling. The idea of the optimization is based on the observation that the statistical risk of using an estimator is a monotonically decreasing function of the sampled area. The larger the sampled area, the lower the risk of using the estimator as the estimator becomes more and more accurate as the sampling area increases. On the other hand, the cost of sampling is monotonically increasing as the sampled surface grows. This makes the risk and total cost of sampling complimentary variables which can be counterbalanced to achieve an optimal overall value with respect to the sampled surface. In this paper, the integrated risk has been used to quantify the accuracy of the estimator. This risk has been selected because it depends on neither the true value of the parameter nor on the collected data. The cost of each sample was also available to obtain the total cost of sampling of N components. The paper will present the results based on computer-simulated data as well as the data collected during the InSight mission. The computer-simulated data have N components with randomly generated total areas and each component assigned to one of the three categories according to the method of estimating of bioburden density: sampled, implied, or prespecified. The cost of sampling is also available. The cost of sampling is estimated based on a cost model provided by the planetary protection group at JPL. For this paper, the overall cost was assumed to be a linear function of exposure. The optimization process finds the allocation of the components to the three categories that minimizes the tradeoff between integrated risk and total cost. For the InSight data, a set of components is selected representing all three categories, and optimization is performed to determine if the performed allocation was optimal or if a better allocation could have been obtained. To the best of our knowledge, this work is the first attempt not only perform an accurate estimation of bioburden density but also do it in an optimal way.

97 - MATHEMATICS AND COMPUTING↗