Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “algorithms 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 1,765 records · Page 98

Efficient Global Optimization with Gradient Finish for Design Under Uncertainty

The Efficient Global Optimization (EGO) algorithm is extended to include a gradient-descent-based finish upon reaching a threshold value of the expected improvement function. Emphasis is placed on efficient evaluation of local gradients using Kriging models during the gradient-based finish to enable application to design under uncertainty (DUU) problems. The modified algorithm is applied to both the well-known Rosenbrock function and a more challenging hypersonic inlet design under uncertainty problem. Results demonstrate improvement in locating the global optimum compared to the classical implementation of EGO, as well as a reduced number of true function evaluations compared to pure gradient-based algorithms. For the Rosenbrock function, a global optimum is returned using an average of 12% fewer function calls than a gradient-based optimizer with comparable tolerances. For the design under uncertainty problem, a global optimum is found using an average of 75% fewer function calls than a gradient-based optimizer. Global Pareto fronts of multiobjective DUU problems are obtained at little additional cost after a single optimization is complete.

Optimization↗

Quantum logic gates from time-dependent global magnetic field in a system with constant exchange

We propose a method that implements a universal set of one- and two-quantum-bit gates for quantum computation in a system of coupled electron pairs with constant non-diagonal exchange interaction. In our proposal, suppression of the exchange interaction is performed by the continual repetition of single-spin rotations. A small g-factor difference between the electrons allows for addressing qubits and avoiding strong magnetic field pulses. Numerical experiments were performed to show that, to implement the one- and two-qubit operations, it is sufficient to change the strength of the magnetic field by a few Gauss. This introduces one and then the other electron in a resonance. To determine the evolution of the two-qubit system, we use the algorithms of optimal control theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

SU-F-19A-09: Propagation of Organ at Risk Contours for High Dose Rate Brachytherapy Planning for Cervical Cancer: A Deformable Image Registration Comparison

Purpose: To compare the performance of two deformable image registration (DIR) algorithms for contour propagation and to evaluate the accuracy of DIR for use with high dose rate (HDR) brachytherapy planning for cervical cancer. Methods: Five patients undergoing HDR ring and tandem brachytherapy were included in this retrospective study. All patients underwent CT simulation and replanning prior to each fraction (3–5 fractions total). CT-to-CT DIR was performed using two commercially available software platforms: SmartAdapt, Varian Medical Systems (Demons) and Velocity AI, Velocity Medical Solutions (B-spline). Fraction 1 contours were deformed and propagated to each subsequent image set and compared to contours manually drawn by an expert clinician. Dice similarity coefficients (DSC), defined as, DSC(A,B)=2(AandB)/(A+B) were calculated to quantify spatial overlap between manual (A) and deformed (B) contours. Additionally, clinician-assigned visual scores were used to describe and compare the performance of each DIR method and ultimately evaluate which was more clinically acceptable. Scoring was based on a 1–5 scale—with 1 meaning, “clinically acceptable with no contour changes” and 5 meaning, “clinically unacceptable”. Results: Statistically significant differences were not observed between the two DIR algorithms. The average DSC for the bladder, rectum and rectosigmoid were 0.82±0.08, 0.67±0.13 and 0.48±0.18, respectively. The poorest contour agreement was observed for the rectosigmoid due to limited soft tissue contrast and drastic anatomical changes, i.e., organ shape/filling. Two clinicians gave nearly equivalent average scores of 2.75±0.91 for SmartAdapt and 2.75±0.94 for Velocity AI—indicating that for a majority of the cases, more than one of the three contours evaluated required major modifications. Conclusion: Limitations of both DIR algorithms resulted in inaccuracies in contour propagation in the pelvic region, thus hampering the clinical utility of this technology. Further work is required to optimize these algorithms and take advantage of the potential of DIR for HDR brachytherapy planning.

60 APPLIED LIFE SCIENCES↗

SU-C-BRA-03: An Automated and Quick Contour Errordetection for Auto Segmentation in Online Adaptive Radiotherapy

Purpose: To develop a tool that can quickly and automatically assess contour quality generated from auto segmentation during online adaptive replanning. Methods: Due to the strict time requirement of online replanning and lack of ‘ground truth’ contours in daily images, our method starts with assessing image registration accuracy focusing on the surface of the organ in question. Several metrics tightly related to registration accuracy including Jacobian maps, contours shell deformation, and voxel-based root mean square (RMS) analysis were computed. To identify correct contours, additional metrics and an adaptive decision tree are introduced. To approve in principle, tests were performed with CT sets, planned and daily CTs acquired using a CT-on-rails during routine CT-guided RT delivery for 20 prostate cancer patients. The contours generated on daily CTs using an auto-segmentation tool (ADMIRE, Elekta, MIM) based on deformable image registration of the planning CT and daily CT were tested. Results: The deformed contours of 20 patients with total of 60 structures were manually checked as baselines. The incorrect rate of total contours is 49%. To evaluate the quality of local deformation, the Jacobian determinant (1.047±0.045) on contours has been analyzed. In an analysis of rectum contour shell deformed, the higher rate (0.41) of error contours detection was obtained compared to 0.32 with manual check. All automated detections took less than 5 seconds. Conclusion: The proposed method can effectively detect contour errors in micro and macro scope by evaluating multiple deformable registration metrics in a parallel computing process. Future work will focus on improving practicability and optimizing calculation algorithms and metric selection.

60 APPLIED LIFE SCIENCES↗

Time optimal robotic manipulator motions and work places for point to point tasks

High productivity requires that manipulators perform complex tasks quickly. Recently, optimal control algorithms have been developed which enable manipulators to move quickly, but only for simple motions. A method is presented here which combines simple time optimal motions in an optimal manner to yield the minimum time motions for an important class of complex manipulator tasks composed of point to point moves, such as assembly, electronic component insertion and spot welding. This method can also be used to design manipulator actions and work places so that tasks can be completd in minimum time. The method has been implemented in a CAD software package. Examples are presented which show the methods effectiveness.

Dubowsky, S.↗

Supervisory On-line Optimal Control of an Electric Power Microgrid Design for Lunar Habitation

The following article describes an optimal control algorithm for the operation and study of an electric microgrid designed to power a lunar habitat. A photovoltaic (PV) generator powers the habitat and the presence of predictable lunar eclipses necessitates a system to prioritize and control loads within the microgrid. The algorithm consists of a reduced order model (ROM) that describes the microgrid, a discretization of the equations that result from the ROM, and an optimization formulation that controls the microgrid’s behavior. In order to validate this approach, the paper presents results from simulation based on lunar eclipse information and a schedule of intended loads.

Joseph Young↗

A VSM-Based DER Dispatch MINLP for Volt-VAR Control in Unbalanced Power Distribution Systems

This paper presents an optimal dispatch algorithm to coordinate customer-owned controllable loads and smart solar inverters with utility-owned voltage regulators and capacitors to meet voltage control objectives. The optimization problem is formulated as a mixed-integer nonlinear programming (MINLP) problem. A voltage sensitivity matrix (VSM) is used to linearize the effect of control actions on the voltage at customer nodes when solving the MINLP. The VSM is recalculated at each time step to improve the computational accuracy. Both discrete switching actions of the capacitor and VRs and the continuous adjustment of real and reactive power from load and smart inverters are considered in the MINLP volt-var problem formulation. The objective function minimizes the cost of all control actions and the magnitude of voltage fluctuations from the previous time period. Constraints ensure that the voltage at each node is maintained within ANSI limits and the feeder power factor is controlled within the desired range. The algorithm is tested using an actual 3-phase unbalanced distribution feeder model. Simulation results demonstrate that the proposed algorithm is computationally feasible on real circuits and improves voltage control while minimizing operational costs.

McEntee, Catie↗

Optimizing Performance of Combustion Chemistry Solvers on Intel's Many Integrated Core (MIC) Architectures

This work investigates novel algorithm designs and optimization techniques for restructuring chemistry integrators in zero and multidimensional combustion solvers, which can then be effectively used on the emerging generation of Intel's Many Integrated Core/Xeon Phi processors. These processors offer increased computing performance via large number of lightweight cores at relatively lower clock speeds compared to traditional processors (e.g. Intel Sandybridge/Ivybridge) used in current supercomputers. This style of processor can be productively used for chemistry integrators that form a costly part of computational combustion codes, in spite of their relatively lower clock speeds. Performance commensurate with traditional processors is achieved here through the combination of careful memory layout, exposing multiple levels of fine grain parallelism and through extensive use of vendor supported libraries (Cilk Plus and Math Kernel Libraries). Important optimization techniques for efficient memory usage and vectorization have been identified and quantified. These optimizations resulted in a factor of ~ 3 speed-up using Intel 2013 compiler and ~ 1.5 using Intel 2017 compiler for large chemical mechanisms compared to the unoptimized version on the Intel Xeon Phi. The strategies, especially with respect to memory usage and vectorization, should also be beneficial for general purpose computational fluid dynamics codes.

97 MATHEMATICS AND COMPUTING↗

Machine learning of molecular properties: Locality and active learning

In recent years, the machine learning techniques have shown great potent1ial in various problems from a multitude of disciplines, including materials design and drug discovery. The high computational speed on the one hand and the accuracy comparable to that of density functional theory on another hand make machine learning algorithms efficient for high-throughput screening through chemical and configurational space. However, the machine learning algorithms available in the literature require large training datasets to reach the chemical accuracy and also show large errors for the so-called outliers—the out-of-sample molecules, not well-represented in the training set. In the present paper, we propose a new machine learning algorithm for predicting molecular properties that addresses these two issues: it is based on a local model of interatomic interactions providing high accuracy when trained on relatively small training sets and an active learning algorithm of optimally choosing the training set that significantly reduces the errors for the outliers. We compare our model to the other state-of-the-art algorithms from the literature on the widely used benchmark tests.

Gubaev, Konstantin (ORCID:0000000326128515)↗

Numerical gate synthesis for quantum heuristics on bosonic quantum processors

There is a recent surge of interest and insights regarding the interplay of quantum optimal control and variational quantum algorithms. We study the framework in the context of qudits which are, for instance, definable as controllable electromagnetic modes of a superconducting cavity system coupled to a transmon. By employing recent quantum optimal control approaches described in (Petersson and Garcia, 2021), we showcase control of single-qudit operations up to eight states, and two-qutrit operations, mapped respectively onto a single mode and two modes of the resonator. We discuss the results of numerical pulse engineering on the closed system for parametrized gates useful to implement Quantum Approximate Optimization Algorithm (QAOA) for qudits. The results show that high fidelity ( > 0.99) is achievable with sufficient computational effort for most cases under study, and extensions to multiple modes and open, noisy systems are possible. The tailored pulses can be stored and used as calibrated primitives for a future compiler in circuit quantum electrodynamics (cQED) systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Noise-Induced Transition in Optimal Solutions of Variational Quantum Algorithms

Variational quantum algorithms are widely considered a promising class of near-team algorithms that may demonstrate a practical quantum advantage in problems of scientific interest. One of the major obstacles to a scalable realization is the difficulty in optimizing the noisy cost function.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Optimizing Perovskite Thin‐Film Parameter Spaces with Machine Learning‐Guided Robotic Platform for High‐Performance Perovskite Solar Cells

Abstract Simultaneously optimizing the processing parameters of functional thin films remains a challenge. The design and utilization of a fully automated platform called SPINBOT is presented for the engineering of solution‐processed functional thin films. The SPINBOT is capable of performing experiments with high sampling variability through the unsupervised processing of hundreds of substrates with exceptional experimental control. Through the iterative optimization process enabled by the Bayesian optimization (BO) algorithm, the SPINBOT explores an intricate parameter space, continuously improving the quality and reproducibility of the produced thin films. This machine learning (ML)‐guided reliable SPINBOT platform enables the acceleration of the optimization process of perovskite solar cells via a simple photoluminescence characterization of films. As a result, this study arrives at an optimal film that, when processed into a solar cell in an ambient atmosphere, immediately yields a champion power conversion efficiency (PCE) of 21.6% with satisfactory performance reproducibility. The unsealed devices retain 90% of their initial efficiency after 1100 h of continuous operation at 60–65 °C under metal‐halide lamps. It is anticipated that the integration of robotic platforms with the intelligent algorithm will facilitate the widespread adoption of effective autonomous experimentation to address the evolving needs and constraints within the materials science research community.

14 SOLAR ENERGY↗

Dynamic Optimization of Switched-Reluctance Motors

A design algorithm is proposed for switched-reluctance motors used in manufacturing systems. The algorithm includes an optimization procedure and is based on the Monte Carlo method. In optimization of the magnetic system, it is advisable to take account of the motor’s operating conditions. The results of optimization are compared. Recommendations are made regarding the selection of the tooth-zone dimensions.

42 ENGINEERING↗

Analytical optimal pulse shapes obtained with the aid of genetic algorithms

We propose a methodology to design optimal pulses for achieving quantum optimal control on molecular systems. Our approach constrains pulse shapes to linear combinations of a fixed number of experimentally relevant pulse functions. Quantum optimal control is obtained by maximizing a multi-target fitness function using genetic algorithms. As a first application of the methodology, we generated an optimal pulse that successfully maximized the yield on a selected dissociation channel of a diatomic molecule. Our pulse is obtained as a linear combination of linearly chirped pulse functions. Data recorded along the evolution of the genetic algorithm contained important information regarding the interplay between radiative and diabatic processes. We performed a principal component analysis on these data to retrieve the most relevant processes along the optimal path. Our proposed methodology could be useful for performing quantum optimal control on more complex systems by employing a wider variety of pulse shape functions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

SU-F-T-618: Evaluation of a Mono-Isocentric Treatment Planning Software for Stereotactic Radiosurgery of Multiple Brain Metastases

Purpose: To evaluate planning performance of an automated treatment planning software (BrainLAB; Elements) for stereotactic radiosurgery (SRS) of multiple brain metastases. Methods: Brainlab’s Multiple Metastases Elements (MME) uses single isocentric technique to treat up to 10 cranial planning target volumes (PTVs). The planning algorithm of the MME accounts for multiple PTVs overlapping with one another on the beam eyes view (BEV) and automatically selects a subset of all overlapping PTVs on each arc for sparing normal tissues in the brain. The algorithm also optimizes collimator angles, margins between multi-leaf collimators (MLCs) and PTVs, as well as monitor units (MUs) using minimization of conformity index (CI) for all targets. Planning performance was evaluated by comparing the MME-calculated treatment plan parameters with the same parameters calculated with the Volumetric Modulated Arc Therapy (VMAT) optimization on Varian’s Eclipse platform. Results: Figures 1 to 3 compare several treatment plan outcomes calculated between the MME and VMAT for 5 clinical multi-targets SRS patient plans. Prescribed target dose was volume-dependent and defined based on the RTOG recommendation. For a total number of 18 PTV’s, mean values for the CI, PITV, and GI were comparable between the MME and VMAT within one standard deviation (σ). However, MME-calculated MDPD was larger than the same VMAT-calculated parameter. While both techniques delivered similar maximum point doses to the critical cranial structures and total MU’s for the 5 patient plans, the MME required less treatment planning time by an order of magnitude compared to VMAT. Conclusion: The MME and VMAT produce similar plan qualities in terms of MUs, target dose conformation, and OAR dose sparing. While the selective use of PTVs for arc-optimization with the MME reduces significantly the total planning time in comparison to VMAT, the target dose homogeneity was also compromised due to its simplified inverse planning algorithm used.

60 APPLIED LIFE SCIENCES↗

Searching for Dwarf Galaxies in Gaia DR2 Phase-space Data Using Wavelet Transforms

We present a wavelet-based algorithm to identify dwarf galaxies in the Milky Way in Gaia DR2 data. Our algorithm detects overdensities in 4D position–proper-motion space, making it the first search to explicitly use velocity information to search for dwarf galaxy candidates. We optimize our algorithm and quantify its performance by searching for mock dwarfs injected into Gaia DR2 data and for known Milky Way satellite galaxies. Comparing our results with previous photometric searches, we find that our search is sensitive to undiscovered systems at Galactic latitudes |b| > 20° and with half-light radii larger than the 50% detection efficiency threshold for Pan-STARRS1 (PS1) at (i) absolute magnitudes of –7 < M V < –3 and distances of 32 kpc < D < 64 kpc, and (ii) M V < –4 and 64 kpc < D < 128 kpc. Based on these results, we predict that our search is expected to discover 5 ± 2 new satellite galaxies: four in the PS1 footprint and one outside the Dark Energy Survey and PS1 footprints. We apply our algorithm to the Gaia DR2 data set and recover ~830 high-significance candidates, out of which we identify a "gold standard" list of ~200 candidates based on cross-matching with potential candidates identified in a preliminary search using Gaia EDR3 data. All of our candidate lists are publicly distributed for future follow-up studies. Here, we show that improvements in astrometric measurements provided by Gaia EDR3 increase the sensitivity of this technique; we plan to continue to refine our candidate list using future data releases.

79 ASTRONOMY AND ASTROPHYSICS↗