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At least 343 records · Page 19

Natural evolutionary strategies for variational quantum computation

Abstract Natural evolutionary strategies (NES) are a family of gradient-free black-box optimization algorithms. This study illustrates their use for the optimization of randomly initialized parameterized quantum circuits (PQCs) in the region of vanishing gradients. We show that using the NES gradient estimator the exponential decrease in variance can be alleviated. We implement two specific approaches, the exponential and separable NES, for parameter optimization of PQCs and compare them against standard gradient descent. We apply them to two different problems of ground state energy estimation using variational quantum eigensolver and state preparation with circuits of varying depth and length. We also introduce batch optimization for circuits with larger depth to extend the use of ES to a larger number of parameters. We achieve accuracy comparable to state-of-the-art optimization techniques in all the above cases with a lower number of circuit evaluations. Our empirical results indicate that one can use NES as a hybrid tool in tandem with other gradient-based methods for optimization of deep quantum circuits in regions with vanishing gradients.

Anand, Abhinav (ORCID:0000000280812310)↗

SU-E-T-42: A Method to Determine the Optimal Proton Scanned Beam Angle to Ensure Robust Treatment Planning

Purpose: The ability of pencil beam scanning (PBS) to deliver highly conformal dose distributions may be affected by patient- and physics-related uncertainties. In clinical practice, selection of proton beam angles is determined qualitatively. This study investigates whether an optimal proton PBS beam angle could be quantitatively determined to ensure robust planning for pelvic targets. Methods: PBS beam angles were optimized based on two independent criteria; shortest and most homogeneous path from the patient surface to the distal edge of the target. The beam angle optimization criteria for gantry angles between 90°-270° were quantified in 10° increments for each ray, calculated as the straight line distance from the surface of the skin to the CTV’s distal edge. The goal was to minimize the path length of a proton PBS beam from the patient surface to the distal edge of the CTV, relative to the entry point, while minimizing HU inhomogeneity along the ray. HU homogeneity (i.e. HU variation) was quantitatively defined as the standard deviation of the average intra-ray HU intensity distribution of the rays comprising a single beam. This method was validated relative to inter-fraction changes on ten consecutive, locally advanced, rectal cancer patients, who underwent an average 4 verification CTs. The displacement of the 95–98% isodose lines was determined from forward calculated dose distributions on verification CTs. Results: The posterior beam (180°) had the average shortest path length, 132.7±17.2mm, and the most homogenous path, 31.9±4.3HU. The 95–98% isodose lines from all plans verified our path length to within 2.3±1.2% and HU homogeneity to within 1.2±0.5%. Conclusion: The proposed optimization algorithm determined the posterior beam dose distribution as the most robust relative to inter-fraction variation for large pelvic targets treated with PBS and was validated via verification CT for our patient cohort. Future work will focus on further algorithm development.

60 APPLIED LIFE SCIENCES↗

Adjoint-based optimization of mechanical performance in polycrystalline materials and structures through texture control

The texture of a polycrystalline material refers to the preferred orientation of the grains within the material. In metallic materials, texture can significantly affect the mechanical properties such as elastic moduli, yield stress, strain hardening, and fracture toughness. Recent advances in additive manufacturing of metallic materials offer the possibility in the not too distant future of controlling the spatial variation of texture. In this work, we investigate the advantages, in terms of mechanical performance, of allowing the texture to vary spatially. We use an adjoint-based gradient optimization algorithm within a finite element solver (COMSOL) to optimize several engineering quantities of interest in a simple structure (hole in a plate) and loading (uniaxial tension) condition. As a first step to general texture optimization, we consider the idealized case of a pure fiber texture in which the homogenized properties are transversely isotropic. In this special case, the only spatially varying design variables are the three Euler angles that prescribe the orientation of the homogenized material at each point within the structure. This work paves a new way to design metallic materials for tunable mechanical properties at the microstructure level.

36 MATERIALS SCIENCE↗

Distributed-Memory Breadth-First Search on Massive Graphs. IN: Parallel Graph Algorithms

This chapter studies the problem of traversing large graphs using the breadth-first search order on distributed-memory supercomputers. We consider both the traditional level-synchronous top-down algorithm as well as the recently discovered direction optimizing algorithm. We analyze the performance and scalability trade-offs in using different local data structures such as CSR and DCSC, enabling in-node multithreading, and graph decompositions such as 1D and 2D decomposition.

97 MATHEMATICS AND COMPUTING↗

Optimization of a dry, mixed nuclear fuel storage array for nuclear criticality safety - 14339

A dry storage array of used nuclear fuel at the Idaho National Laboratory contains a mixture of more than twenty different types of research and test reactor fuels. Significant neutronic interaction occurs between fuel canisters within this large storage arrangement of 636 fuel storage canisters. Nuclear criticality safety is maintained primarily by moderation control and through control of neutron interaction and leakage provided by the credited geometry. Over the nearly forty years of operation the collected fuels are now arranged in a configuration that does not minimize the system neutron multiplication factor (k{sub eff}). This creates a concern since the entire remaining facility storage capacity cannot be utilized without exceeding the system minimum subcritical state (k{sub safe}) for ensuring nuclear criticality safety. This work determines a more optimal arrangement for the stored fuels with a goal to minimize the system k{sub eff}, but also with a minimum of potential fuel canister relocation movements. The ultimate goal is to establish a solution for this multiple-objective optimization problem by finding the Pareto Front for maximum k{sub eff} reduction versus the number of canister relocations. The process first required additional analysis of the array by Monte-Carlo neutron transport codes (specifically, MCNP) to gain a greater understanding of the interaction characteristics of the disparate fuel types. Some stored fuels are composed of primarily metallic and oxide components that provide very little inherent moderation, while other fuel types contain graphite or zirconium-hydride which can contribute a significant amount of moderation. These factors cause a complex relationship within a fuel arrangement with respect to thermal utilization and axial leakage probability. The new MCNP analysis was utilized to develop a simplified spreadsheet-based empirical model which simulates the array k{sub eff} result. This empirical model was benchmarked against additional MCNP calculations for various arrangements and then employed in the optimization analysis. A Tabu metaheuristic and stochastic approximation optimization was applied to the empirical model with the optimization function to minimize the array k{sub eff}. The optimization algorithm interrogated the empirical model to determine the optimal rearrangement for up to sixty canister movements. The Pareto Front was found, which shows that a limited number of canister relocation movements could allow the existing thirty-one empty array positions to be filled with common research reactor fuels while also yielding a reduction in the overall array k{sub eff} relative to the current arrangement. This will impart an improvement in the facility utilization while also offering an enhancement in the safety margin. The reduction in array reactivity has been confirmed by a final set of MCNP calculations with the proposed new arrangements. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Impact of graph structures for QAOA on MaxCut

The quantum approximate optimization algorithm (QAOA) is a promising method of solving combinatorial optimization problems using quantum computing. QAOA on the MaxCut problem has been studied extensively on graphs with specific structure; however, little is known about the general performance of the algorithm on arbitrary graphs. Here, we investigate how different graph characteristics correlate with QAOA performance at depths at most three on the MaxCut problem for all connected non-isomorphic graphs with at most eight vertices. Some good predictors of QAOA success relate to graph symmetries, odd cycles, and density. For example, on eight vertex graphs, the average probability for selecting an optimal solution for graphs that contain no odd cycles after three iterations of QAOA is 60.6% compared to 48.2% for those that do. The data generated from these studies are shared in a publicly accessible database to serve as a benchmark for QAOA calculations and experiments. Knowing the relationship between structure and performance can be used to identify classes of combinatorial problems that are likely to exhibit a quantum advantage.

97 MATHEMATICS AND COMPUTING↗

Likelihood Maximization and Moment Matching in Low SNR Gaussian Mixture Models

We derive an asymptotic expansion for the log-likelihood of Gaussian mixture models (GMMs) with equal covariance matrices in the low signal-to-noise regime. The expansion reveals an intimate connection between two types of algorithms for parameter estimation: the method of moments and likelihood optimizing algorithms such as Expectation-Maximization (EM). We show that likelihood optimization in the low SNR regime reduces to a sequence of least squares optimization problems that match the moments of the estimate to the ground truth moments one by one. This connection is a stepping stone towards the analysis of EM and maximum likelihood estimation in a wide range of models. A motivating application for the study of low SNR mixture models is cryo-electron microscopy data, which can be modeled as a GMM with algebraic constraints imposed on the mixture centers. We discuss the application of our expansion to algebraically constrained GMMs, among other example models of interest. © 2022 The Authors. Communications on Pure and Applied Mathematics published by Wiley Periodicals LLC.

97 MATHEMATICS AND COMPUTING↗

Hydropower Optimization Using Artificial Neural Network Surrogate Models of a High-Fidelity Hydrodynamics and Water Quality Model

Hydropower operations optimization subject to environmental constraints is limited by challenges associated with dimensionality and spatial and temporal resolution. The need for high-fidelity hydrodynamic and water quality models within optimization schemes is driven by improved computational capabilities, increased requirements to meet specific points of compliance with greater resolution, and the need to optimize operations of not just single reservoirs but systems of reservoirs. This study describes an important advancement for computing hourly power generation schemes for a hydropower reservoir using high-fidelity models, surrogate modeling techniques, and optimization methods. The predictive power of the high-fidelity hydrodynamic and water quality model CE-QUAL-W2 is successfully emulated by an artificial neural network, then integrated into a genetic algorithm optimization approach to maximize hydropower generation subject to constraints on dam operations and water quality. This methodology is applied to a multipurpose reservoir near Nashville, Tennessee, USA. The model successfully reproduced high-fidelity reservoir information while enabling 6.8% and 6.6% increases in hydropower production value relative to actual operations for dissolved oxygen (DO) limits of 5 and 6 mg/L, respectively, while witnessing an expected decrease in power generation at more restrictive DO constraints. Exploration of simultaneous temperature and DO constraints revealed capability to address multiple water quality constraints at specified locations. Here, the reduced computational requirements of the new modeling approach demonstrated an ability to provide decision support for reservoir operations scheduling while maintaining high-fidelity hydrodynamic and water quality information as part of the optimization decision support routines.

13 HYDRO ENERGY↗

Development of multi-objective core optimization framework and application to sodium-cooled fast test reactors

The optimization of a Sodium-cooled Fast Reactor (SFR) core is a challenging process, due to the large number of design parameters, the nonlinearities among inputs and outputs, and the complicated correlation among output parameters. This study attempts to develop a generalized framework for the SFR core optimization by coupling the sensitivity analysis, advanced optimization algorithm, and optionally the surrogate modeling. The framework is built based on the fast reactor modeling capability of the Argonne Reactor Computation (ARC) suite and the sensitivity analysis and optimization modules embedded in the DAKOTA code, both have been integrated within the NEAMS Workbench. The genetic algorithm is selected as the optimization method for its robustness, while the option of surrogate modeling is also explored to alleviate the computational burden caused by employing the ARC direct core physics simulation and thus enhance the efficiency of the optimization. Finally, the normalized deviations of performance parameters of the near-optimal solution from those of the ideal core are calculated and used as criteria to down select the final core design. The developed framework is applied to the Advanced Burner Test Reactor (ABTR) core, and optimal solutions are determined by balancing various objectives simultaneously, including peak fast flux, core volume, power, reactivity swing, plutonium mass feed, while at the same time satisfying the predefined constraints due to safety or economics considerations. The optimal ABTR core design obtained using the direct physical simulation and surrogated model are compared and discussed. It is found that using the accurately constructed surrogate models can significantly reduce the required computational time while maintaining satisfactory accuracy.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

MO-FG-CAMPUS-TeP2-05: Optimizing Stereotactic Radiosurgery Treatment of Multiple Brain Metastasis Lesions with Individualized Rotational Arc Trajectories

Purpose: Radiosurgery of multiple (n>4) brain metastasis lesions requires 3–4 noncoplanar VMAT arcs with excessively high monitor units and long delivery time. We investigated whether an improved optimization technique would decrease the needed arc numbers and increase the delivery efficiency, while improving or maintaining the plan quality. Methods: The proposed 4pi arc space optimization algorithm consists of two steps: automatic couch angle selection followed by aperture generation for each arc with optimized control points distribution. We use a greedy algorithm to select the couch angles. Starting from a single coplanar arc plan we search through the candidate noncoplanar arcs to pick a single noncoplanar arc that will bring the best plan quality when added into the existing treatment plan. Each time, only one additional noncoplanar arc is considered making the calculation time tractable. This process repeats itself until desired number of arc is reached. The technique is first evaluated in coplanar arc delivery scheme with testing cases and then applied to noncoplanar treatments of a case with 12 brain metastasis lesions. Results: Clinically acceptable plans are created within minutes. For the coplanar testing cases the algorithm yields singlearc plans with better dose distributions than that of two-arc VMAT, simultaneously with a 12–17% reduction in the delivery time and a 14–21% reduction in MUs. For the treatment of 12 brain mets while Paddick conformity indexes of the two plans were comparable the SCG-optimization with 2 arcs (1 noncoplanar and 1 coplanar) significantly improved the conventional VMAT with 3 arcs (2 noncoplanar and 1 coplanar). Specifically V16 V10 and V5 of the brain were reduced by 11%, 11% and 12% respectively. The beam delivery time was shortened by approximately 30%. Conclusion: The proposed 4pi arc space optimization technique promises to significantly reduce the brain toxicity while greatly improving the treatment efficiency.

60 APPLIED LIFE SCIENCES↗

SU-G-TeP1-10: Predicting Photon Percentage Depth Dose From Profile Due to Changes in Beam Quality

Purpose: To predict photon percentage depth dose (PDD) from profile due to a change in flattened (FF) and flattening-filter-free (FFF) beam quality. Methods: 6MV photon beam PDDs and profiles in a 3D water tank (3DW) and profiles in an ionization chamber array (ICP) were collected for different field sizes and depths with FF and FFF beams in a Versa HD (Elekta Ltd.). The energy was adjusted by changing the bending magnet current (BMC) ±15% from the clinical beam (6MV) in 5% increments. For baseline establishment, PDDs(depth≥3cm) were parameterized with bi-exponential functions and the PDD 20 to 10cm ratios (PDD{sub 20,10}) were calculated. Then, the FF profile at 10cm from the central axis (Pr{sub 10}) and the slope of the FFF central linear region (SFFF) were calculated. Calibration curves were established: (1) change in Pr{sub 10} and SFFF as functions of the change in PDD{sub 20,10} and (2) change in PDD(depth=3, 15 and 30cm) as function of the change in PDD{sub 20,10}. The differences between Pr{sub 10} and SFFF from baseline were calculated and, from calibration curves, changes in PDD{sub 20,10} and PDD(depth=3, 15 and 30cm) were obtained. Then, absolute PDD(depth=3, 15 and 30cm) values were input into a least-square-optimization algorithm to calculate the bi-exponential function’s optimal coefficients and generate the PDD(depths≥3cm). Results: The change in PDD{sub 20,10} relative to baseline increased (<±4%) with BMC. Pr{sub 10} increased (±6%) and SFFF decreased (±11%) with BMC. Relative differences between measured and calculated (i.e. PDD calculation from Pr{sub 10} and SFFF) PDDs were less than 1%. Results apply to FF and FFF beams measured in 3DW and ICP. Conclusion: Pr{sub 10} and SFFF are more sensitive than PDD to changes in beam energy and PDD information can be accurately generated from them. With known 3DW and ICP profile relationship, ICP can be used to obtain PDD for current photon beam.

61 RADIATION PROTECTION AND DOSIMETRY↗

A Multi-Objective Approach for Optimizing Edge-Based Resource Allocation Using TOPSIS

Existing approaches for allocating resources on edge environments are inefficient and lack the support of heterogeneous edge devices, which in turn fail to optimize the dependency on cloud infrastructures or datacenters. To this extent, we propose in this paper OpERA, a multi-layered edge-based resource allocation optimization framework that supports heterogeneous and seamless execution of offloadable tasks across edge, fog, and cloud computing layers and architectures. By capturing offloadable task requirements, OpERA is capable of identifying suitable resources within nearby edge or fog layers, thus optimizing the execution process. Throughout the paper, we present results which show the effectiveness of our proposed optimization strategy in terms of reducing costs, minimizing energy consumption, and promoting other residual gains in terms of processing computations, network bandwidth, and task execution time. We also demonstrate that by optimizing resource allocation in computation offloading, it is then possible to increase the likelihood of successful task offloading, particularly for computationally intensive tasks that are becoming integral as part of many IoT applications such robotic surgery, autonomous driving, smart city monitoring device grids, and deep learning tasks. The evaluation of our OpERA optimization algorithm reveals that the TOPSIS MCDM technique effectively identifies optimal compute resources for processing offloadable tasks, with a 96% success rate. Moreover, the results from our experiments with a diverse range of use cases show that our OpERA optimization strategy can effectively reduce energy consumption by up to 88%, and operational costs by 76%, by identifying relevant compute resources.

97 MATHEMATICS AND COMPUTING↗

An energy-aware multiobjective ant colony algorithm to minimize total completion time and energy cost on a single-machine preemptive scheduling

Energy-aware scheduling in manufacturing operations with time-of-use electricity tariffs is a challenging problem. Sustainable manufacturing is gaining significant momentum: companies are not only improving their product quality, but also optimizing the production processes to improve energy consumption (i.e., minimizing energy cost) in order to manage environmental challenges which contribute to global climate change. The purpose of this paper is to study a preemptive scheduling problem on a single-machine to minimize the total completion time and total energy cost under time-of-use electricity tariffs, which is a mixed-integer multiobjective mathematical programming model. To solve these objectives, we develop several new holistic ant colony optimization algorithms. The proposed model is solved via several methods including weighted sum method (WSM) using CPLEX, and multiobjective ant colony optimization based on a dominance ranking (ACO-DR) or based on a dominance ranking procedure and crowding distance comparison (ACO-DRC) or based on a heuristic approach to obtain an approximate Pareto-front and also provide information on when to start and resume each job for any solution on the Pareto-front. We provide detailed experimental results evaluating the performance of the proposed algorithms. In a case study, we demonstrate how the results of the multiobjective model could be utilized in decision making using the multiobjective optimization on the basis of ratio analysis (MOORA) method. Furthermore, this proposed model and heuristics allows decision makers to operate in challenging-data enabled environments in industrial internet of things ecosystem, and assists in optimizing production planning to improve energy cost.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Metric Learning to Accelerate Convergence of Operator Splitting Methods

Recent developments in machine learning have led to promising advances in accelerating the solution of constrained optimization problems. Increasing demand for real-time decision-making capabilities in applications such as artificial intelligence and optimal control has led to a variety of proposed strategies for learning to produce fast solutions to optimization problems. For example, recent works have shown that it is possible to accelerate the convergence of optimization algorithms by learning to select their parameters, such as gradient descent stepsizes. This work proposes a new approach, in which the underlying metric spaces of proximal operator splitting algorithms are learned to maximize convergence rate. While prior works in optimization theory have derived optimal metrics in simple cases, no such result exists for many practical problem forms including general Quadratic Programming (QP). This paper shows how differentiable optimization can enable the end-to-end learning of proximal metrics, enhancing the convergence of proximal algorithms for QP problems beyond what is possible based on known theory. Additionally, the results illustrate a strong connection between the learned proximal metrics and active constraints at the optima, leading to an interpretation in which the predicted proximal metrics can be viewed as a form of active set prediction.

King, Ethan [BATTELLE (PACIFIC NW LAB)]↗

Empirical performance bounds for quantum approximate optimization

The quantum approximate optimization algorithm (QAOA) has been put forth as a method for near-term quantum computers to solve optimization problems. However, assessments of QAOA performance have mostly focused on small structured problem instances while performance on more general instances is less clear. Here, we numerically simulate QAOA pure state dynamics for every instance of MaxCut on non-isomorphic unweighted graphs with nine or fewer vertices with depth parameters p ≤ 3. We find the approximation ratios and optimized circuit parameters concentrate across graphs of a given size and empirically show increases in concentration as graph size increases. The parameter concentration leads to two median-angle heuristics that overcome difficulties in QAOA parameter optimization and obtain mean approximation ratios within 3% and 0.2% of the optimal. We also analyze the probability to measure an optimal solution and find increasing variations between graphs as depth increases, in stark contrast to the approximation ratios which concentrate as depth increases. Furthermore, the resulting benchmark data set gives empirical bounds for on-going experimental realizations and lays groundwork for theoretical extensions to greater problem sizes and depths where QAOA may prove important for practically relevant problems.

79 ASTRONOMY AND ASTROPHYSICS↗

Genetic Algorithm for Hyperparameter Optimization in Gaussian Process Modeling

A genetic algorithm is developed and applied to optimize hyperparameters of convolutional recursively determined dual neural network-Gaussian process (NNGP) kernels. As a specific application of the combined GPNN-GA algorithm, it is applied to image classification in publicly available data of Hyper Suprime-Cam Subaru Strategic Program. Matthews correlation coefficient is calculated based on results of binary star-galaxy classification and used as a fitting function of the GA module of the algorithm. The simulation results confirm significant improvement of the classification accuracy with optimized hyperparameters.

79 ASTRONOMY AND ASTROPHYSICS↗