A Hybrid Quantum Optimization Algorithm Incorporating Classical Heuristics.
Abstract not provided.
Stephens, Jaimie Suzette↗
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Particle Swarm Optimization Algorithm for Critical Experiment Design
Nuclear criticality experiments are used to validate nuclear cross section data used by simulation software. This is typically achieved by designing a critical system with a high sensitivity to a certain material’s cross section. Once the experiment has been carried out, a high fidelity model of the system is developed into a benchmark. When this benchmark model is simulated by a transport code, some of the difference between the experimental and computational effective neutron multiplication factor can be attributed to inaccurate nuclear data. Nuclear data evaluators then can make adjustments accordingly to improve cross section data.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
A Comparison of the Performance of Three Nongradient-Based Optimization Algorithms During the Design of an Accelerator-Driven Subcritical Assembly for Mo-99 Production
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Nelson, Noel↗
A Structured Quasi-Newton Algorithm for Optimizing with Incomplete Hessian Information
We present a structured quasi-Newton algorithm for unconstrained optimization problems that have unavailable second-order derivatives or Hessian terms. We provide a formal derivation of the well-known Broyden--Fletcher--Goldfarb--Shanno (BFGS) secant update formula that approximates only the missing Hessian terms, and we propose a linesearch quasi-Newton algorithm based on a modification of Wolfe conditions that converges to first-order optimality conditions. We also analyze the local convergence properties of the structured BFGS algorithm and show that it achieves superlinear convergence under the standard assumptions used by quasi-Newton methods using secant updates. In conclusion, we provide a thorough study of the practical performance of the algorithm on the CUTEr suite of test problems and show that our structured BFGS-based quasi-Newton algorithm outperforms the unstructured counterpart(s).
97 MATHEMATICS AND COMPUTING↗
Stochastic gradient descent algorithm for stochastic optimization in solving analytic continuation problems
We propose a stochastic gradient descent based optimization algorithm to solve the analytic continuation problem in which we extract real frequency spectra from imaginary time Quantum Monte Carlo data. The procedure of analytic continuation is an ill-posed inverse problem which is usually solved by regularized optimization methods, such like the Maximum Entropy method, or stochastic optimization methods. The main contribution of this work is to improve the performance of stochastic optimization approaches by introducing a supervised stochastic gradient descent algorithm to solve a flipped inverse system which processes the random solutions obtained by a type of Fast and Efficient Stochastic Optimization Method.
97 MATHEMATICS AND COMPUTING↗
Objective and algorithm considerations when optimizing the number and placement of turbines in a wind power plant
Abstract. Optimizing turbine layout is a challenging problem that has been extensively researched in the literature. However, optimizing the number of turbines within a given boundary has not been studied as extensively and is a difficult problem because it introduces discrete design variables and a discontinuous design space. An essential step in performing wind power plant layout optimization is to define the objective function, or value, that is used to express what is valuable to a wind power plant developer, such as annual energy production, cost of energy, or profit. In this paper, we demonstrate the importance of selecting the appropriate objective function when optimizing a wind power plant in a land-constrained site. We optimized several different wind power plants with different wind resources and boundary sizes. Results show that the optimal number of turbines varies drastically depending on the objective function. For a simple, one-dimensional, land-based scenario, we found that a wind power plant optimized for minimal cost of energy produced just 72 % of the profit compared to the wind power plant optimized for maximum profit, which corresponded to a loss of about USD 2 million each year. This paper also compares the performance of several different optimization algorithms, including a novel repeated-sweep algorithm that we developed. We found that the performance of each algorithm depended on the number of design variables in the problem as well as the objective function.
17 WIND ENERGY↗
Transcriptome architecture of the three main lineages of agrobacteria
ABSTRACT Agrobacteria are a diverse, polyphyletic group of prokaryotes with multipartite genomes capable of transferring DNA into the genomes of host plants, making them an essential tool in plant biotechnology. Despite their utility in plant transformation, genome-wide transcriptional regulation is not well understood across the three main lineages of agrobacteria. Transcription start sites (TSSs) are a necessary component of gene expression and regulation. In this study, we used differential RNA-seq and a TSS identification algorithm optimized on manually annotated TSS, then validated with existing TSS to identify thousands of TSS with nucleotide resolution for representatives of each lineage. We extend upon the 356 TSSs previously reported in Agrobacterium fabrum C58 by identifying 1,916 TSSs. In addition, we completed genomes and phenotyping of Rhizobium rhizogenes C16/80 and Allorhizobium vitis T60/94, identifying 2,650 and 2,432 TSSs, respectively. Parameter optimization was crucial for an accurate, high-resolution view of genome and transcriptional dynamics, highlighting the importance of algorithm optimization in genome-wide TSS identification and genomics at large. The optimized algorithm reduced the number of TSSs identified internal and antisense to the coding sequence on average by 90.5% and 91.9%, respectively. Comparison of TSS conservation between orthologs of the three lineages revealed differences in cell cycle regulation of ctrA as well as divergence of transcriptional regulation of chemotaxis-related genes when grown in conditions that simulate the plant environment. These results provide a framework to elucidate the mechanistic basis and evolution of pathology across the three main lineages of agrobacteria. IMPORTANCE Transcription start sites (TSSs) are fundamental for understanding gene expression and regulation. Agrobacteria, a group of prokaryotes with the ability to transfer DNA into the genomes of host plants, are widely used in plant biotechnology. However, the genome-wide transcriptional regulation of agrobacteria is not well understood, especially in less-studied lineages. Differential RNA-seq and an optimized algorithm enabled identification of thousands of TSSs with nucleotide resolution for representatives of each lineage. The results of this study provide a framework for elucidating the mechanistic basis and evolution of pathology across the three main lineages of agrobacteria. The optimized algorithm also highlights the importance of parameter optimization in genome-wide TSS identification and genomics at large.
59 BASIC BIOLOGICAL SCIENCES↗
Computation-Efficient Algorithm for Distributed Feedback Optimization of Distribution Grids
Feedback-based optimization algorithms use real-time measurements to update the optimal control for the underlying system which may not be fully identified. Recently, we have developed a distributed feedback-based algorithm [1] that avoids the requirement of fast communication between central computing and local actuator/sensor agents. This paper extends the work by greatly reducing the number of copies of variables involved in the distributed feedback-based algorithm, which results in faster convergence and lower communication requirement. The main idea is to leverage the specific structural properties of the admittance matrix for distribution systems with tree network topology. We also show the effectiveness of the proposed algorithm in simulations.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Enhancing Camera Calibration for Traffic Surveillance with an Integrated Approach of Genetic Algorithm and Particle Swarm Optimization
Recent advancements in sensor technologies, coupled with signal processing and machine learning, have enabled real-time traffic control systems to effectively adapt to changing traffic conditions. Cameras, as sensors, offer a cost-effective means to determine the number, location, type, and speed of vehicles, aiding decision-making at traffic intersections. However, the effective use of cameras for traffic surveillance requires proper calibration. This paper proposes a new optimization-based method for camera calibration. In this approach, initial calibration parameters are established using the Direct Linear Transformation (DLT) method. Then, optimization algorithms are applied to further refine the calibration parameters for the correction of nonlinear lens distortions. A significant enhancement in the optimization process is achieved through the integration of the Genetic Algorithm (GA) and Particle Swarm Optimization (PSO) into a combined Integrated GA and PSO (IGAPSO) technique. The effectiveness of this method is demonstrated through the calibration of eleven roadside cameras at three different intersections. The experimental results show that when compared to the baseline DLT method, the vehicle localization error is reduced by 22.30% with GA, 22.31% with PSO, and 25.51% with IGAPSO.
47 OTHER INSTRUMENTATION↗
Integration and Optimization of a Waste Heat Driven Organic Rankine Cycle for Power Generation in Wastewater Treatment Plants
The study focuses on achieving energy self-sufficiency in Wastewater Treatment Plants by proposing a comprehensive model for integrating, sizing, and optimizing an Organic Rankine Cycle system. The Organic Rankine Cycle system is designed to utilize waste heat from the gensets at As Samra Wastewater Treatment Plant in Jordan, where it will contribute to the overall electrical energy supply of the plant. Real data from As Samra Wastewater Treatment Plant is used to model and calculate the available waste heat using TRNSYS® software. The Organic Rankine Cycle model is then developed using ASPEN PLUS® software to explore the impact of operational parameters and determine their optimal values for maximizing the plant's energy profile. An economic analysis is conducted to assess the feasibility of the proposed model, considering system components, installation, operation, and maintenance costs. To optimize the Organic Rankine Cycle system, the study employs the Multi-Output Support Vector Regression technique to capture nonlinear relationships between independent variables (fluid type, turbine inlet pressure, turbine inlet temperature, turbine outlet pressure, and mass flow rate) and dependent variables (pump power input, waste heat input, and turbine specific work). The Osprey optimization algorithm is used to address the multi-objective optimization problem, with the proposed Pareto-based Osprey Optimization Algorithm and the Multi-Objective Particle Swarm Optimization technique being employed to evaluate critical performance and economic parameters such as system thermal efficiency, net power output, and the levelized cost of electricity. The results of the optimization strategies indicate that the M-SVR model's prediction accuracy is significantly improved after parameter optimization, with the model returning high R 2 and low Mean Square Error values of 0.991 and 0.00216, respectively. The Pareto-Based Osprey Optimization Algorithm optimizer identifies the best working fluid as Isobutane/Isopentane in a ratio of 66:34, with optimal turbine inlet pressure and temperature of 15 bars and 218 °C, respectively. In conclusion, the Organic Rankine Cycle model at these optimal conditions achieves a cycle efficiency of 19.93% and an Levelized Cost of Electricity value of 0.0353 USD/kWh.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Pareto Optimization of Oligomer Polarizability and Dipole Moment Using a Genetic Algorithm
High-performance electronic components are highly sought after in order to produce increasingly smaller and cheaper electronic devices. Drawing inspiration from inorganic dielectric materials, in which both polarizability and polarization contribute, organic materials can also maximize both. For a large set of small molecules drawn from PubChem, a Pareto-like front appears between the polarizability and dipole moment, indicating the presence of an apparent trade-off between these two properties. We tested this balance in π-conjugated materials by searching for novel conjugated hexamers with simultaneously large polar- izabilities and dipole moments with potential use for dielectric materials. Using a genetic algorithm (GA) screening technique in conjunction with an approximate density functional tight-binding method for property calculations, we were able to efficiently search chemical space for optimal hexamers. Given the scope of chemical space, using the GA technique saves considerable time and resources by speeding up molecular searches compared to a systematic search. Here, we also explored the underlying structure–function relationships, including sequence and monomer properties, that characterize large polarizability and dipole moment regimes.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Initial Refinement and Optimization of the Image Reconstruction (U-MBIR) Algorithm to Optimize its Performance in Detecting Damage and Flaws
Concrete is a critical component of nuclear power plants; thus, its safety and reliability must be thoroughly examined throughout the life cycle of the structural system. During the life cycle of this infrastructure, monitoring of the concrete for signs of degradation should be performed through nondestructive evaluation (NDE). Ultrasonic measurements have been an industry standard for both surface and subsurface inspections. As such, Oak Ridge National Laboratory (ORNL) is developing advanced image reconstruction algorithms to overcome the limitations of traditional ultrasonic NDE methodologies. The results and discussion presented herein summarize the current state of the ultrasonic model–based iterative reconstruction (U-MBIR) algorithm developed at ORNL.
36 MATERIALS SCIENCE↗
A Survey of Distributed Optimization
In distributed optimization of multi-agent systems, agents cooperate to minimize a global function which is a sum of local objective functions. Motivated by applications including power systems, sensor networks, smart buildings, and smart manufacturing, various distributed optimization algorithms have been developed. In these algorithms, each agent performs local computation based on its own information and information received from its neighboring agents through the underlying communication network, so that the optimization problem can be solved in a distributed manner. This survey paper aims to offer a detailed overview of existing distributed optimization algorithms and their applications in power systems. More specifically, we first review discrete-time and continuous-time distributed optimization algorithms for undirected graphs. We then discuss how to extend these algorithms in various directions to handle more realistic scenarios. Finally, we focus on the application of distributed optimization in the optimal coordination of distributed energy resources.
Yang, Tao↗
Optimization of process models for determining volatility distribution and viscosity of organic aerosols from isothermal particle evaporation data
The composition of organic aerosol under different ambient conditions as well as their phase state have been a subject of intense study in recent years. One way to study particle properties is to measure the particle size shrinkage in a diluted environment at isothermal conditions. From these measurements it is possible to separate the fraction of low-volatility compounds from high-volatility compounds. In this work, we analyse and evaluate a method for obtaining particle composition and viscosity from measurements using process models coupled with input optimization algorithms. Two optimization methods, the Monte Carlo genetic algorithm and Bayesian inference, are used together with process models describing the dynamics of particle evaporation. The process model optimization scheme in inferring particle composition in a volatility-basis-set sense and composition-dependent particle viscosity is tested with artificially generated data sets and real experimental data. Optimizing model input so that the output matches these data yields a good match for the estimated quantities. Both optimization methods give equally good results when they are used to estimate particle composition to artificially test data. Finally, the timescale of the experiments and the initial particle size are found to be important in defining the range of values that can be identified for the properties from the optimization.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
A Mobile Edge Computing Framework for Traffic Optimization At Urban Intersections Through Cyber-Physical Integration
The stop-and-go traffic pattern on urban roads often results in excessive energy consumption because of unnecessary vehicle braking, idling, and accelerations. With the widespread and increased use of automobiles, this traffic pattern creates many negative impacts (e.g., delayed travel time, air pollution, and additional carbon emission) on the sustainability of our cities. Taking advantage of the recent emerging Internet of Things (IoT) and edge computing paradigms, we propose a mobile edge computing framework that integrates the capability of real-time vehicle-to-infrastructure communication and intelligent speed optimization algorithms into a mobile app to optimize individual vehicles' driving speed at signalized intersections. The optimization aims to mitigate the stop-and-go traffic pattern and its undesirable consequences in urban transportation systems. The framework consists of (1) a cyberinfrastructure-enabled dynamic messaging system for retrieving and delivering real-time traffic and signal phase and timing information from IoT-connected signal controllers and sensors, (2) a real-time speed optimization algorithm for generating intelligent speed advisory using vehicle's information (e.g., GPS and driving directions from mobile sensing) and corresponding signal and traffic information, and (3) an ad-hoc mobile computing environment that converts drivers' smartphones into edge devices to host the speed optimization algorithms for enabling intelligent advisory on the vehicle's driving speed within signalized corridors. The paper presents the design and implementation of the proposed framework. Finally, we demonstrate the feasibility, usefulness, and energy-saving benefits of our proposed framework and its prototyping mobile app on urban transportation systems through traffic simulation, real-vehicle laboratory experiments, an evaluative survey, and field communication tests. The simulation-based energy evaluation results show that the 100% usage of the mobile app can achieve 24% energy savings in the transportation system.
33 ADVANCED PROPULSION SYSTEMS↗
Beneficial Integration of Energy Storage and Load Management with Photovoltaic (PV)
In recent years, a number of industry activities have aimed at addressing the integration challenges posed by the variability and uncertainty of higher penetration of renewable generation sources, like solar photovoltaic (PV) – one of the key objectives of the Sustainable and Holistic Integration of Energy Storage and Solar PV (SHINES) program launched by the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy (EERE). This EPRI led Beneficial Integration of Energy Storge, and Load Management with PV project aimed to design, develop, and demonstrate end-to-end distributed energy resource (DER) integration solution to build on these activities. EPRI led project team designed and implemented a local controller that uses model predictive control (MPC) algorithm to optimally manage DERs on site by planning for a receding horizon while executing the control settings for the first step of its plan. The team has also developed a system controller to interface with the local controller to demonstrate the hierarchical control and how it can leverage DER capabilities to address challenges like over voltage and thermal limit violations which typically limits the DER hosting capacity of distribution feeders. Team has demonstrated how the local controller with optimization algorithm can effectively manage controllable loads like HVAC, water heater, and pool pumps to allow for greater integration of PV with relatively smaller energy storage system requirements. Optimal utilization of the load control can also reduce the depth of discharge of batteries to meet grid export/import limit from behind-the-meter (BTM) DERs. Proper utilization of DER capabilities via local control intelligence, like the one developed and demonstrated in this project can help the industry to address integration challenges of higher penetration of solar PV in economically efficient manner. This can help to accelerate deployment of clean renewable energy systems at lower societal cost.
14 SOLAR ENERGY↗
Algorithmic and GPU enhancements for molecular dynamics in Cabana and LAMMPS
The focus of this milestone was to implement and test new algorithms and optimizations for improved GPU performance by molecular dynamics (MD) and related particle codes. The work was done in the CoPA Cabana library, the CabanaMD mini-app which uses Cabana to implement and benchmark prototypical MD models, and the LAMMPS MD code which is used by the ECP EXAALT project as well as for materials modeling generally. Efforts included (a) implementation of new or optimized algorithms for fundamental MD kernels like neighbor-list building and FFTs which are also widely used in other particle methods, (b) performance testing of data structure layouts for both simple pairwise and computationally intense neural network potentials, (c) optimizations aimed at improving GPU performance for models with small atom counts, and (d) optimizations specific to the SNAP interatomic potential due to its importance for the EXAALT project.
36 MATERIALS SCIENCE↗
Optimization of the Second Target Station cold source moderators using an automated workflow
The Second Target Station (STS) at the US Department of Energy’s Oak Ridge National Laboratory is designed to become the world’s highest peak-brightness spallation source of cold neutrons. Successful completion of the STS, which is currently in the preliminary design phase, will provide transformative new capabilities to examine novel materials for future technologies. At STS, neutrons will be generated by spallation reactions in a solid tungsten target. They will be moderated and thermalized in two cold (20 K) para-hydrogen moderators. Careful optimization of these moderators is essential to the project’s success. To find optimal moderator designs, an advanced optimization workflow integrates high-fidelity neutronics calculations using the Monte Carlo N-Particle (MCNP) transport code MCNP6.2 with state-of-the-art optimization algorithms in the Dakota optimization toolkit. For each design iteration, a parametrized solid CAD geometry is generated in Creo and automatically converted into an unstructured mesh geometry by Attila 4MC for the neutronics calculation with MCNP. Iterations repeat until optimal designs are found. Herein this paper presents the results of a sensitivity and optimization study for the cylindrical and tube moderators. Both moderators can be optimized for maximum peak brightness, maximum time-integrated brightness, or any combination between these extremes. Maximum peak brightness is achieved by using smaller optimal dimensions of the moderators, whereas maximum time-integrated brightness is achieved by using larger dimensions. A Pareto front details the designs that optimally balance both brightness metrics. The Pareto front can be found in only 40–110 iterations with 4–5 design parameters when using the efficient global and Pareto-set optimization algorithms in Dakota. Additionally, important engineering constraints can be taken into account, such as the coupling between the cylindrical moderator radius and aluminum vessel wall thicknesses required to ensure structural integrity of the vessels. This interaction has a significant impact on the resulting optimal designs. Our new, highly efficient, fully automated optimization workflow will be used to optimize additional STS components in the future and can be adopted for design and optimization studies at other experimental neutron and accelerator facilities.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗