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All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Parallelized hybrid optimization methods for nonsmooth problems using NOMAD and linesearch

Two parallelized hybrid methods are presented for single-function optimization problems with side constraints. The optimization problems are difficult not only due to possible existence of local minima and nonsmoothness of functions, but also due to the fact that objective function and constraint values for a solution vector can only be obtained by querying a black box whose execution requires considerable computational effort. Examples are optimization problems in Engineering where objective function and constraint values are computed via complex simulation programs, and where local minima exist and smoothness of functions is not assured. The hybrid methods consist of the well-known method NOMAD and two new methods called DENCON and DENPAR that are based on the linesearch scheme CS-DFN. The hybrid methods compute for each query a set of solution vectors that are evaluated in parallel. The hybrid methods have been tested on a set of difficult optimization problems produced by a certain seeding scheme for multiobjective optimization. We compare computational results with solution by NOMAD, DENCON, and DENPAR as stand-alone methods. It turns out that among the stand-alone methods, NOMAD is significantly better than DENCON and DENPAR. However, the hybrid methods are definitely better than NOMAD.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

A comprehensive review of dwell time optimization methods in computer-controlled optical surfacing

Dwell time plays a vital role in determining the accuracy and convergence of the computer-controlled optical surfacing process. However, optimizing dwell time presents a challenge due to its ill-posed nature, resulting in non-unique solutions. To address this issue, several well-known methods have emerged, including the iterative, Bayesian, Fourier transform, and matrix-form methods. Despite their independent development, these methods share common objectives, such as minimizing residual errors, ensuring dwell time's positivity and smoothness, minimizing total processing time, and enabling flexible dwell positions. This paper aims to comprehensively review the existing dwell time optimization methods, explore their interrelationships, provide insights for their effective implementations, evaluate their performances, and ultimately propose a unified dwell time optimization methodology.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Robust optimization methods for cardiac sparing in tangential breast IMRT

Purpose: In left-sided tangential breast intensity modulated radiation therapy (IMRT), the heart may enter the radiation field and receive excessive radiation while the patient is breathing. The patient’s breathing pattern is often irregular and unpredictable. We verify the clinical applicability of a heart-sparing robust optimization approach for breast IMRT. We compare robust optimized plans with clinical plans at free-breathing and clinical plans at deep inspiration breath-hold (DIBH) using active breathing control (ABC). Methods: Eight patients were included in the study with each patient simulated using 4D-CT. The 4D-CT image acquisition generated ten breathing phase datasets. An average scan was constructed using all the phase datasets. Two of the eight patients were also imaged at breath-hold using ABC. The 4D-CT datasets were used to calculate the accumulated dose for robust optimized and clinical plans based on deformable registration. We generated a set of simulated breathing probability mass functions, which represent the fraction of time patients spend in different breathing phases. The robust optimization method was applied to each patient using a set of dose-influence matrices extracted from the 4D-CT data and a model of the breathing motion uncertainty. The goal of the optimization models was to minimize the dose to the heart while ensuring dose constraints on the target were achieved under breathing motion uncertainty. Results: Robust optimized plans were improved or equivalent to the clinical plans in terms of heart sparing for all patients studied. The robust method reduced the accumulated heart dose (D10cc) by up to 801 cGy compared to the clinical method while also improving the coverage of the accumulated whole breast target volume. On average, the robust method reduced the heart dose (D10cc) by 364 cGy and improved the optBreast dose (D99%) by 477 cGy. In addition, the robust method had smaller deviations from the planned dose to the accumulated dose. The deviation of the accumulated dose from the planned dose for the optBreast (D99%) was 12 cGy for robust versus 445 cGy for clinical. The deviation for the heart (D10cc) was 41 cGy for robust and 320 cGy for clinical. Conclusions: The robust optimization approach can reduce heart dose compared to the clinical method at free-breathing and can potentially reduce the need for breath-hold techniques.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

TU-FG-BRB-04: A New Optimization Method for Pre-Treatment Patient-Specific Stopping-Power by Combining Proton Radiography and X-Ray CT

Purpose: The relative stopping power (RSP) uncertainty is the largest contributor to the range uncertainty in proton therapy. The purpose of this work is to develop a robust and systematic method that yields accurate patient specific RSPs by combining pre-treatment X-ray CT and daily proton radiography. Methods: The method is formulated as a penalized least squares optimization (PLSO) problem min(|Ax-B|). The matrix A represents the cumulative path-length crossed in each material computed by calculating proton trajectories through the X-ray CT. The material RSPs are denoted by x and B is the pRad, expressed as water equivalent thickness. The equation is solved using a convex-conic optimizer. Geant4 simulations were made to assess the feasibility of the method. RSP extracted from the Geant4 materials were used as a reference and the clinical HU-RSP curve as a comparison. The PLSO was first tested on a Gammex RMI-467 phantom. Then, anthropomorphic phantoms of the head, pelvis and lung were studied and resulting RSPs were evaluated. A pencil beam was generated in each phantom to evaluate the proton range accuracy achievable by using the optimized RSPs. Finally, experimental data of a pediatric head phantom (CIRS) were acquired using a recently completed experimental pCT scanner. Results: Numerical simulations showed precise RSP (<0.75%) for Gammex materials except low-density lung (LN-300) (1.2%). Accurate RSP have been obtained for the head (µ=−0.10%, 1.5σ=1.12%), lung (µ=−0.33, 1.5σ=1.02%) and pelvis anthropomorphic phantoms (µ=0.12, 1.5σ=0,99%). The range precision has been improved with an average R80 difference to the reference (µ±1.5σ) of −0.20±0.35%, −0.47±0.92% and −0.06±0.17% in the head, lung and pelvis phantoms respectively, compared to the 3.5% clinical margin. Experimental HU-RSP curve have been produced on the CIRS pediatric head. Conclusion: The proposed PLSO with prior knowledge X-ray CT shows promising potential (R80 σ<1.0% over all sites) to decrease the range uncertainty.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Design optimization methods for high-performance research reactor core design

Typical objectives of high-performance research reactors include neutron scattering, materials irradiation, and isotope production. The creation of a core that optimizes these multiple objectives often presents a multidimensional (i.e., in design space), multiobjective optimization problem. The developed systematic approach discussed herein draws on response surface methodology to validate and leverage a surrogate model to serve in place of high-fidelity computational analyses. Optimization and design analysis methods leverage this surrogate model to provide a flexible tool for generating optimized designs and understanding the impact of design decisions on desired metrics. In applications to High Flux Isotope Reactor (HFIR) low-enriched uranium (LEU) core designs, neutronic, isotopic evolution, and thermal hydraulic analyses are used to generate key performance and safety metrics for assessing the feasibility and fitness of given designs. Three optimized designs that determine different desired metrics and constraints (e.g., key metric weighting and fabrication constraints) are presented, providing potential design options that satisfy the requirements for HFIR’s conversion from high enriched uranium to LEU fuel.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

TU-F-BRE-03: Application of a Novel Mass-Density Compensation Optimization Method to Improve the Response of a Liquid-Filled Ionization Chamber in Nonstandard Fields

Purpose: To improve the response of the microLion detector (PTW 31018) in small field conditions by optimizing the density of the detector's non-sensitive components using a novel method based on the detector's dose response function. Methods: The central values h(0,0) of the perturbation functions for the microLion detector and a volume of water equivalent to its sensitive volume were calculated using the Monte Carlo user code egs-chamber by scoring the dose absorbed by a 6 MV photon pencil beam incident on their centroids. Values of h(0,0) were plotted as a function of the density of the microLion's graphite electrode with the detector placed in the axial orientation. The optimized density was found by finding the minimal value of h(0,0). Results: A density of 1.37 g/cm3 was found to minimize the perturbation function of the microLion detector. The modified microLion's response was then evaluated in small square fields with sides in the range of 5 – 40 mm and found to be consistent with highly watere-quivalent detectors such as a scintillating detector (Exradin W1) and a generic alanine detector in both axial and radial orientations. Conclusion: This work illustrates a novel method which can used to optimize the design of radiation detectors in small fields. This method should also work with other optimization parameters (e.g. thickness of electrode). Density-compensated detectors have the potential to eliminate the need to evaluate nonstandard field correction factors as described by the IAEA-AAPM formalism (Alfonso et al.) and simplify future dosimetry protocols for SRS/SBRT modalities. Finally, we also expect an improvement in the response of density-compensated detectors for composite IMRT fields.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2024

Two-Step Hyperparameter Optimization Method: Accelerating Hyperparameter Search by Using a Fraction of a Training Dataset

Abstract Hyperparameter optimization (HPO) is an important step in machine learning (ML) model development, but common practices are archaic—primarily relying on manual or grid searches. This is partly because adopting advanced HPO algorithms introduces added complexity to the workflow, leading to longer computation times. This poses a notable challenge to ML applications, as suboptimal hyperparameter selections curtail the potential of ML model performance, ultimately obstructing the full exploitation of ML techniques. In this article, we present a two-step HPO method as a strategic solution to curbing computational demands and wait times, gleaned from practical experiences in applied ML parameterization work. The initial phase involves a preliminary evaluation of hyperparameters on a small subset of the training dataset, followed by a reevaluation of the top-performing candidate models postretraining with the entire training dataset. This two-step HPO method is universally applicable across HPO search algorithms, and we argue it has attractive efficiency gains. As a case study, we present our recent application of the two-step HPO method to the development of neural network emulators for aerosol activation. Although our primary use case is a data-rich limit with many millions of samples, we also find that using up to 0.0025% of the data—a few thousand samples—in the initial step is sufficient to find optimal hyperparameter configurations from much more extensive sampling, achieving up to 135× speedup. The benefits of this method materialize through an assessment of hyperparameters and model performance, revealing the minimal model complexity required to achieve the best performance. The assortment of top-performing models harvested from the HPO process allows us to choose a high-performing model with a low inference cost for efficient use in global climate models (GCMs).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

NSGA-PINN: A Multi-Objective Optimization Method for Physics-Informed Neural Network Training

This paper presents NSGA-PINN, a multi-objective optimization framework for the effective training of physics-informed neural networks (PINNs). The proposed framework uses the non-dominated sorting genetic algorithm (NSGA-II) to enable traditional stochastic gradient optimization algorithms (e.g., ADAM) to escape local minima effectively. Additionally, the NSGA-II algorithm enables satisfying the initial and boundary conditions encoded into the loss function during physics-informed training precisely. We demonstrate the effectiveness of our framework by applying NSGA-PINN to several ordinary and partial differential equation problems. In particular, we show that the proposed framework can handle challenging inverse problems with noisy data.

Lu, Binghang (ORCID:0009000160016632)↗
DOE OSTI2018

Development Of A Novel Genetic Algorithm-based Optimization Method For Design Of Nuclear Criticality Experiments

A new evaluation of isotopic molybdenum total neutron cross section data based on measurements performed at Rensselaer Polytechnic Institute prompted researchers at Rensselaer and Los Alamos National Laboratory (LANL) to design a nuclear criticality experiment for the validation of the data. A novel approach of criticality experiment design employing a genetic algorithm-based optimization technique was developed. The method produced a critical experiment with a cross section sensitivity that exceeded target specifications by an order of magnitude.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Total variation vs L1 regularization: a comparison of compressive sensing optimization methods for chemical detection

One of the fundamental assumptions of compressive sensing (CS) is that a signal can be reconstructed from a small number of samples by solving an optimization problem with the appropriate regularization term. Two standard regularization terms are the L1 norm and the total variation (TV) norm. We present a comparison of CS reconstruction results based on these two approaches in the context of chemical detection, and we demonstrate that optimization based on the L1 norm outperforms optimization based on the TV norm. Our comparison is driven by CS sampling, reconstruction, and chemical detection in two real-world datasets: the Physical Sciences Inc. Fabry-Perot interferometer sensor multispectral dataset and the Johns Hopkins Applied Physics Lab FTIR-based longwave infrared sensor hyperspectral dataset. Both datasets contain the release of a chemical simulant such as glacial acetic acid, triethyl phosphate, and sulfur hexafluoride. For chemical detection we use the adaptive coherence estimator (ACE) and bulk coherence, and we propose algorithmic ACE thresholds to define the presence or absence of a chemical of interest in both un-compressed data cubes and reconstructed data cubes. The un-compressed data cubes provide an approximate ground truth. We demonstrate that optimization based on either the L1 norm or TV norm results in successful chemical detection at a compression rate of 90%, but we show that L1 optimization is preferable. We present quantitative comparisons of chemical detection on reconstructions from the two methods, with an emphasis on the number of pixels with an ACE value above the threshold.

Hyperspectral imagery, L1-norm, total variation, A↗
DOE OSTI2024

Image Deconvolution and Point-spread Function Reconstruction with STARRED: A Wavelet-based Two-channel Method Optimized for Light-curve Extraction

We present starred, a point-spread function (PSF) reconstruction, two-channel deconvolution, and light-curve extraction method designed for high-precision photometric measurements in imaging time series. An improved resolution of the data is targeted rather than an infinite one, thereby minimizing deconvolution artifacts. In addition, starred performs a joint deconvolution of all available data, accounting for epoch-to-epoch variations of the PSF and decomposing the resulting deconvolved image into a point source and an extended source channel. The output is a high-signal-to-noise-ratio, high-resolution frame combining all data and the photometry of all point sources in the field of view as a function of time. Of note, starred also provides exquisite PSF models for each data frame. We showcase three applications of starred in the context of the imminent LSST survey and of JWST imaging: (i) the extraction of supernovae light curves and the scene representation of their host galaxy; (ii) the extraction of lensed quasar light curves for time-delay cosmography; and (iii) the measurement of the spectral energy distribution of globular clusters in the "Sparkler," a galaxy at redshift z = 1.378 strongly lensed by the galaxy cluster SMACS J0723.3-7327. starred is implemented in jax, leveraging automatic differentiation and graphics processing unit acceleration. This enables the rapid processing of large time-domain data sets, positioning the method as a powerful tool for extracting light curves from the multitude of lensed or unlensed variable and transient objects in the Rubin-LSST data, even when blended with intervening objects.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Automatic tuning of the Community Atmospheric Model (CAM5) by using short-term hindcasts with an improved downhill simplex optimization method

Traditional trial-and-error tuning of uncertain parameters in global atmospheric general circulation models (GCMs) is time consuming and subjective. This study explores the feasibility of automatic optimization of GCM parameters for fast physics by using short-term hindcasts. An automatic workflow is described and applied to the Community Atmospheric Model (CAM5) to optimize several parameters in its cloud and convective parameterizations. We show that the auto-optimization leads to 10 % reduction of the overall bias in CAM5, which is already a well-calibrated model, based on a predefined metric that includes precipitation, temperature, humidity, and longwave/shortwave cloud forcing. The computational cost of the entire optimization procedure is about equivalent to a single 12-year atmospheric model simulation. The tuning reduces the large underestimation in the CAM5 longwave cloud forcing by decreasing the threshold relative humidity and the sedimentation velocity of ice crystals in the cloud schemes; it reduces the overestimation of precipitation by increasing the adjustment time in the convection scheme. The physical processes behind the tuned model performance for each targeted field are discussed. Limitations of the automatic tuning are described, including the slight deterioration in some targeted fields that reflect the structural errors of the model. It is pointed out that automatic tuning can be a viable supplement to process-oriented model evaluations and improvement.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Automatic tuning of the Community Atmospheric Model CAM5.3 by using short-term hindcasts with an improved downhill simplex optimization method

Traditional trial-and-error tuning of uncertain parameters in global atmospheric General Circulation Models (GCM) is time consuming and subjective. This study explores the feasibility of automatic optimization of GCM parameters for fast physics by using short-term hindcasts. An automatic workflow is described and applied to the Community Atmospheric Model (CAM5) to optimize several parameters in its cloud and convective parameterizations. We show that the auto-optimization leads to 10 % reduction of the overall bias in CAM5, which is already a well calibrated model, based on a pre-defined metric that includes precipitation, temperature, humidity, and longwave/shortwave cloud forcing. The computational cost of the entire optimization procedure is about equivalent to about a single 12-year atmospheric model simulation. The tuning reduces the large underestimation in the CAM5 longwave cloud forcing by decreasing the threshold relative humidity and the sedimentation velocity of ice crystals in the cloud schemes; it reduces the overestimation of precipitation by increasing the adjustment time in the convection scheme. The physical processes behind the tuned model performance for each targeted field are discussed. Limitations of the automatic tuning are described, including the slight deterioration in some targeted fields that reflect the structural errors of the model. It is pointed out that automatic tuning can be a viable supplement to process-oriented model evaluations and improvement.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

A Weighting Grade-Based Optimization Method for Determining Refill Friction Stir Spot Welding Process Parameters

The welding process used in fabricating thin-walled structures by refill friction stir spot welding (RFSSW) should be characterized by a high strength of welds and high process repeatability which is demonstrated by a small dispersion of the load capacity of the joints. The present work is designed to optimize RFSSW process parameters for 7075-T6 Alclad aluminum alloy sheets used to fabricate aircraft structures. The optimization was performed by scalarization of the objective function using the weighting grades method. The study considers the effect of process parameters, i.e., tool plunge depth, duration of welding, tool rotational speed, on the tensile/shear strength of the joints, and dispersion of the load capacity. It was found that it was possible to choose the optimal welding parameters taking into account maximization of the load capacity and minimization of the dispersion of the joint strength via a best compromise between the tool rotational speed ensuring adequate plasticization of the base material and the duration of welding ensuring that a fine-grained joint microstructure is obtained.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Comparison of Shape Optimization Methods for Heat Exchanger Fins Using Computational Fluid Dynamics

Inverse design techniques are one way to leverage advances in 3D printing, artificial intelligence, and computational resources to achieve increased performance of heat exchangers. Two optimization techniques (genetic algorithm and particle swarm) and three geometry representations (binary level set, composite Bézier, and free form deformation) are used to increase the heat transfer and reduce the pressure drop of a heat exchanger fin. After running 210,810 OpenFOAM simulations, results indicate that a significant performance increase of the fin can be realized in less than 48 hrs, allowing for such a process to be integrated in traditional design processes. The best design increased the performance of the objective function, compared to the baseline rectangular geometry by 75%. A custom distributed infrastructure was built, allowing for all methods to reach 95% of the final objective values in a little over 4 hrs, handling 1674 OpenFoam simulations per hour.

42 ENGINEERING↗
DOE OSTI2022

An optimization method for chaotic turbulent flow

Evidence indicates that quantities-of-interest in some turbulent flows can be controlled despite the overall chaotic dynamics. It is typically thought that this is via relatively deterministic, larger-scale components of the turbulence. However, finding such controls, if they exist, is challenging because chaos causes sensitivity gradients to explode and the search space to become intractably non-convex. This challenge is analyzed, and a penalty method is introduced to cope with it. In the new approach, the time domain is broken into segments approximately matching the chaos time scales, so that the solution within each segment is both physical and relatively deterministic. The initial condition of each segment is included in an adjoint-based gradient optimization, which temporarily introduces artificial Δq discontinuities in the overall solution. The optimization then proceeds in stages with increasing penalization of Δq. The method is developed and illustrated for a logistic map, the Lorenz Equation, and an advection augmented Kuramoto–Sivashinsky Equation. These examples show how the Δq temporarily increases the search scale prior to the strong Δq → 0 penalization that recovers a physical solution. It is then applied to turbulent Kolmogorov flow, for which it also far outperforms a standard adjoint-based gradient search. Finally, the utility of such an optimized chaotic solution is discussed.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Scalable Optimization Methods for Distribution Networks With High PV Integration

Here this paper proposes a suite of algorithms to determine the active- and reactive-power setpoints for photovoltaic (PV) inverters in distribution networks. The objective is to optimize the operation of the distribution feeder according to a variety of performance objectives and ensure voltage regulation. In general, these algorithms take a form of the widely studied ac optimal power flow (OPF) problem. For the envisioned application domain, nonlinear power-flow constraints render pertinent OPF problems nonconvex and computationally intensive for large systems. To address these concerns, we formulate a quadratic constrained quadratic program (QCQP) by leveraging a linear approximation of the algebraic power-flow equations. Furthermore, simplification from QCQP to a linearly constrained quadratic program is provided under certain conditions. The merits of the proposed approach are demonstrated with simulation results that utilize realistic PV-generation and load-profile data for illustrative distribution-system test feeders.

24 POWER TRANSMISSION AND DISTRIBUTION↗