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At least 1,351 records · Page 75

Machine learning framework for quantum sampling of highly constrained, continuous optimization problems

In recent years, there is growing interest in using quantum computers for solving combinatorial optimization problems. In this work, we developed a generic, machine learning-based framework for mapping continuous-space inverse design problems into surrogate quadratic unconstrained binary optimization (QUBO) problems by employing a binary variational autoencoder and a factorization machine. The factorization machine is trained as a low-dimensional, binary surrogate model for the continuous design space and sampled using various QUBO samplers. Using the D-Wave Advantage hybrid sampler and simulated annealing, we demonstrate that by repeated resampling and retraining of the factorization machine, our framework finds designs that exhibit figures of merit exceeding those of its training set. We showcase the framework’s performance on two inverse design problems by optimizing (i) thermal emitter topologies for thermophotovoltaic applications and (ii) diffractive meta-gratings for highly efficient beam steering. This technique can be further scaled to leverage future developments in quantum optimization to solve advanced inverse design problems for science and engineering applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Efficient Optimization of Plasma Radiation Detector Configurations using Imperfect Inference Models

The configurations of instruments fielded on an experiment affect the amount of information captured and the quality of subsequent inference. Here, we investigate the problem of optimizing plasma x-ray radiation detectors in a magneto-inertial fusion experiment at Sandia National Laboratories. It is impossible to directly measure properties such as the temperature of the thermonuclear fusion plasma produced in these experiments because of the extreme environment and destructive nature of the experiment. Among other diagnostics, several detectors are placed with significant standoff from the fusion target to capture the x-rays emitted by the fusion plasma, which can be used to infer some of its properties. To optimize the configuration of these detectors, a high-fidelity model (HFM) is used for simulating outputs and a low-fidelity model (LFM) is used for inference. We develop methods based on A- and L-optimality criteria that are efficient to compute while explicitly accounting for the discrepancy between the HFM and the LFM. The method allows us to find detector configurations that perform similarly to or better than the configuration obtained using an existing sampling-based optimization method while decreasing computational time by a factor of 50. Supplementary materials for this article are available online, including a standardized description of the materials available for reproducing the work.

Bayesian optimization↗

Speed Trajectory Optimization for a Heavy-Duty Truck Traversing Multiple Signalized Intersections: A Dynamic Programming Study

This paper explores the fuel savings that can be achieved by optimizing the speed trajectory of a heavy-duty truck traversing a sequence of intersections, under the assumptions that the behavior of the leading traffic and the timing of the traffic lights is known. Specifically, we look at the impact of corridor topology (i.e. green cycle lengths, phase offsets) on the expected fuel savings of the optimized trajectories. This is an important area of research because vehicle-to-vehicle (V2V) and vehicle-to-infrastructure (V2I) technology has the potential to allow autonomous vehicles to reduce fuel consumption, especially in urban and sub-urban driving scenarios. The literature tackles the problem of arterial corridor trajectory optimization, and shows the potential fuel saving benefits. However, previous research focuses primarily on passenger vehicles, and often limits its findings to specific case studies. The main contribution of this paper is to offer an estimate of the fuel saving potential - for heavy-duty trucks and under different corridor characteristics - of optimizing trajectories in an urban arterial with V2V and V21 capabilities.

42 ENGINEERING↗

Optimal Stopping Ages for Colorectal Cancer Screening

Importance Prior studies have shown that the benefits, harms, and costs of colorectal cancer (CRC) screening at older ages are associated with a patient’s sex, health, and screening history. However, these studies were hypothetical exercises and not directly informed by data on CRC risk. Objective To identify the optimal stopping ages for CRC screening by sex, comorbidity, and screening history from a cost-effectiveness perspective. Design, Setting, and Participants This economic evaluation first validated the MISCAN-Colon (Microsimulation Screening Analysis–Colon) model against community-based CRC incidence and mortality rates for 2 subcohorts of the PRECISE (Optimizing Colorectal Cancer Screening Precision and Outcomes in Community-Based Populations) cohort. Subsequently, different CRC screening scenarios were simulated in older individuals. Cohorts of US adults aged 76 to 90 years varied by sex and comorbidity status (none, low, moderate, or severe). Statistical and sensitivity analyses were performed from March 2023 to May 2024. Exposures CRC screening histories including fecal immunochemical test (FIT) or colonoscopy, such as a negative colonoscopy result from 10, 15, 20, 25, or 30 years before the index age; 1 to 5 negative FIT results within 5 years of the index age, with different patterns of recency; or a combination of negative colonoscopy and negative FIT results. Main Outcomes and Measures The main outcomes included estimated lifetime clinical outcomes, incremental costs, and quality-adjusted life-years gained (QALYG) associated with 1 additional FIT or colonoscopy. Optimal stopping age for screening, defined as the oldest age for which the incremental cost-effectiveness ratio was still below the willingness-to-pay threshold of $\$$100 000 per QALYG, was evaluated. Results The first of the 2 PRECISE subcohorts used in validating the simulation model included 25 974 adults (15 060 females [58.0%]; 54.7% aged 76 to 80 years) with a negative colonoscopy result 10 years before the index date. The second subcohort consisted of 118 269 adults (67 058 females [56.7%]; 90.5% aged 76 to 80 years) with a negative FIT result 1 year before the index date. Older age, male sex, higher comorbidity levels, and recent CRC screenings were associated with reduced incremental benefit and cost-effectiveness of additional screening. For the reference cohort of 76-year-old females without comorbidities and a negative colonoscopy result 10 years before the index age, 1 additional colonoscopy cost $\$$38 226 per QALYG. For cohorts with otherwise equivalent characteristics, associated costs increased to $\$$1 689 945 per QALYG for females at age 90 years without comorbidities and a negative colonoscopy results 10 years before the index age, $\$$51 604 per QALYG for males at age 76 years without comorbidities and a negative colonoscopy result 10 years before the index age, and $\$$108 480 per QALYG for females at age 76 years with severe comorbidities and a negative colonoscopy result 10 years before the index age and decreased to $\$$16 870 per QALYG for females without comorbidities and a negative colonoscopy result 30 years before the index age. The optimal stopping ages across different cohorts ranged from younger than 76 to 86 years for colonoscopy and younger than 76 to 88 years for FIT. Conclusions and Relevance In this economic evaluation, age, sex, screening history, comorbidity, and future screening modality were associated with the clinical outcomes, cost-effectiveness, and optimal stopping age for CRC screening. These results can inform guideline development and patient-directed informed decision-making.

Harlass, Matthias [Erasmus Erasmus University Medi↗

Dynamic real‐time optimization for a CO 2 capture process

Growing awareness of climate change has led to increased focus on new energy processes that mitigate generation of CO 2 , or provide for its efficient capture. To enable the development of these processes, advanced modeling and optimization platforms have been created. New capabilities among platforms include efficient solution strategies for online optimization problems. For real time, dynamic optimization of CO 2 capture processes, we demonstrate the application of the Python‐based Pyomo platform to facilitate realization of Moving Horizon Estimation and Nonlinear Model Predictive Control, through novel nonlinear optimization and sensitivity strategies. This capability allows large scale, first principle models to be applied for online optimization. Here, we introduce the Control and Adaptation with Predictive Sensitivity Enhancements (CAPRESE) framework to demonstrate this framework for advanced energy processes. Moreover, we present two case studies: profile tracking with detailed tray‐by‐tray distillation models and Bubbling Fluidized Bed reactors for CO 2 capture. © 2018 American Institute of Chemical Engineers AIChE J , 65: e16511 2019

Thierry, David↗

Holistic fleet optimization incorporating system design considerations

The methodology described in this article enables a type of holistic fleet optimization that simultaneously considers the composition and activity of a fleet through time as well as the design of individual systems within the fleet. Often, real-world system design optimization and fleet-level acquisition optimization are treated separately due to the prohibitive scale and complexity of each problem. Importantly, this means that fleet-level schedules are typically limited to the inclusion of predefined system configurations and are blind to a rich spectrum of system design alternatives. Similarly, system design optimization often considers a system in isolation from the fleet and is blind to numerous, complex portfolio-level considerations. In reality, these two problems are highly interconnected. To properly address this system-fleet design interdependence, we present a general method for efficiently incorporating multi-objective system design trade-off information into a mixed-integer linear programming (MILP) fleet-level optimization. This work is motivated by the authors' experience with large-scale DOD acquisition portfolios. However, the methodology is general to any application where the fleet-level problem is a MILP and there exists at least one system having a design trade space in which two or more design objectives are parameters in the fleet-level MILP.

97 MATHEMATICS AND COMPUTING↗

Hybrid optimization and Bayesian inference techniques for a non-smooth radiation detection problem

In this paper, we propose several algorithms to recover the location and intensity of a radiation source located in a simulated 250 × 180 m block of an urban center based on synthetic measurements. Radioactive decay and detection are Poisson random processes, so we employ likelihood functions based on this distribution. Owing to the domain geometry and the proposed response model, the negative logarithm of the likelihood is only piecewise continuous differentiable, and it has multiple local minima. To address these difficulties, we investigate three hybrid algorithms composed of mixed optimization techniques. For global optimization, we consider simulated annealing, particle swarm, and genetic algorithm, which rely solely on objective function evaluations; that is, they do not evaluate the gradient in the objective function. By employing early stopping criteria for the global optimization methods, a pseudo-optimum point is obtained. This is subsequently utilized as the initial value by the deterministic implicit filtering method, which is able to find local extrema in non-smooth functions, to finish the search in a narrow domain. These new hybrid techniques, combining global optimization and implicit filtering address, difficulties associated with the non-smooth response, and their performances, are shown to significantly decrease the computational time over the global optimization methods. To quantify uncertainties associated with the source location and intensity, we employ the delayed rejection adaptive Metropolis and DiffeRential Evolution Adaptive Metropolis algorithms. Finally, marginal densities of the source properties are obtained, and the means of the chains compare accurately with the estimates produced by the hybrid algorithms.

42 ENGINEERING↗

Level set topology optimization of structural problems with interface cohesion

Summary This paper presents a finite element topology optimization framework for the design of two‐phase structural systems considering contact and cohesion phenomena along the interface. The geometry of the material interface is described by an explicit level set method, and the structural response is predicted by the extended finite element method. In this work, the interface condition is described by a bilinear cohesive zone model on the basis of the traction‐separation constitutive relation. The non‐penetration condition in the presence of compressive interface forces is enforced by a stabilized Lagrange multiplier method. The mechanical model assumes a linear elastic isotropic material, infinitesimal strain theory, and a quasi‐static response. The optimization problem is solved by a nonlinear programming method, and the design sensitivities are computed by the adjoint method. The performance of the presented method is evaluated by 2D and 3D numerical examples. The results obtained from topology optimization reveal distinct design characteristics for the various interface phenomena considered. In addition, 3D examples demonstrate optimal geometries that cannot be fully captured by reduced dimensionality. The optimization framework presented is limited to two‐phase structural systems where the material interface is coincident in the undeformed configuration, and to structural responses that remain valid considering small strain kinematics. Copyright © 2017 John Wiley & Sons, Ltd.

Behrou, Reza↗

Adaptive mesh refinement in stress-constrained topology optimization

We present a topology structural optimization framework with adaptive mesh refinement and stress-constraints. Finite element approximation and geometry representation benefit from such refinement by enabling more accurate stress field predictions and greater resolution of the optimal structural boundaries. We combine a volume fraction filter to impose a minimum design feature size, the RAMP penalization to generate “black-and-white designs” and a RAMP-like stress definition to resolve the “stress singularity problem.” Regions with stress concentrations dominate the optimized design. As such, rigorous simulations are required to accurately approximate the stress field. To achieve this goal, we invoke a threshold operation and mesh refinement during the optimization. We do so in an optimal fashion, by applying adaptive mesh refinement techniques that use error indicators to refine and coarsen the mesh as needed. In this way, we obtain more accurate simulations and greater resolution of the design domain. We present results in two dimensions to demonstrate the efficiency of our method.

97 MATHEMATICS AND COMPUTING↗

Graphical models for optimal power flow

Optimal power flow (OPF) is the central optimization problem in electric power grids. Although solved routinely in the course of power grid operations, it is known to be strongly NP-hard in general, and weakly NP-hard over tree networks. In this paper, we formulate the optimal power flow problem over tree networks as an inference problem over a tree-structured graphical model where the nodal variables are low-dimensional vectors. We adapt the standard dynamic programming algorithm for inference over a tree-structured graphical model to the OPF problem. Combining this with an interval discretization of the nodal variables, we develop an approximation algorithm for the OPF problem. Further, we use techniques from constraint programming (CP) to perform interval computations and adaptive bound propagation to obtain practically efficient algorithms. Compared to previous algorithms that solve OPF with optimality guarantees using convex relaxations, our approach is able to work for arbitrary tree-structured distribution networks and handle mixed-integer optimization problems. Further, it can be implemented in a distributed message-passing fashion that is scalable and is suitable for “smart grid” applications like control of distributed energy resources. In conclusion, numerical evaluations on several benchmark networks show that practical OPF problems can be solved effectively using this approach.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Application of Artificial Neural Network Model for Optimized Control of Condenser Water Temperature Set-Point in a Chilled Water System

Here, in this study, real-time predictive control and optimization model based on an ANN (artificial neural network) was developed to evaluate the cooling energy saving performance of the optimized control of CndWT (condenser water temperature). For this purpose, the difference in TCEC (total cooling energy consumption) between the conventional control strategy when the CndWT produced by the cooling tower is fixed and the optimized control strategy when real-time control of the CndWT through the optimal ANN model is applied was compared and analyzed. For the modeling of the building to be simulated, the co-simulation of EnergyPlus and MATLAB was built through the middleware Building Controls Virtual Test Bed. For the prediction of TCEC, an ANN model was developed through MATLAB's neural network toolbox. The model accuracy of the ANN was examined through Cv(RMSE) index and as a result, Cv(RMSE) of the optimized ANN model turned out to be approximately 25 %. More importantly, the predictive control technique was able to save TCEC by 5.6 % compared to the conventional control method constantly fixing CndWT set-point to 30 °C. These results showed that the CndWT needs to be dynamically controlled using artificial intelligence technique such as ANN model and that significant energy savings were achievable compared to the conventional fixed control.

42 ENGINEERING↗

Progress towards an Optimization Methodology for Combustion-Driven Portable Thermoelectric Power Generation Systems

Enormous military and commercial interests exist in developing quiet, lightweight, and compact thermoelectric (TE) power generation systems. This paper investigates design integration and analysis of an advanced TE power generation system implementing JP-8 fueled combustion and thermal recuperation. Design and development of a portable TE power system using a JP-8 combustor as a high temperature heat source and optimal process flows depend on efficient heat generation, transfer, and recovery within the system are explored. Design optimization of the system required considering the combustion system efficiency and TE conversion efficiency simultaneously. The combustor performance and TE sub-system performance were coupled directly through exhaust temperatures, fuel and air mass flow rates, heat exchanger performance, subsequent hot-side temperatures, and cold-side cooling techniques and temperatures. Systematic investigation of this system relied on accurate thermodynamic modeling of complex, high-temperature combustion processes concomitantly with detailed thermoelectric converter thermal/mechanical modeling. To this end, this work reports on design integration of systemlevel process flow simulations using commercial software CHEMCADTM with in-house thermoelectric converter and module optimization, and heat exchanger analyses using COMSOLTM software. High-performance, high-temperature TE materials and segmented TE element designs are incorporated in coupled design analyses to achieve predicted TE subsystem level conversion efficiencies exceeding 10%. These TE advances are integrated with a high performance microtechnology combustion reactor based on recent advances at the Pacific Northwest National Laboratory (PNNL). Predictions from this coupled simulation established a basis for optimal selection of fuel and air flow rates, thermoelectric module design and operating conditions, and microtechnology heat-exchanger design criteria. This paper will discuss this simulation process that leads directly to system efficiency power maps defining potentially available optimal system operating conditions and regimes. This coupled simulation approach enables pathways for integrated use of high-performance combustor components, high performance TE devices, and microtechnologies to produce a compact, lightweight, combustion driven TE power system prototype that operates on common fuels.

Heat Transfer↗

Modeling and Optimization Methods for Controlling and Sizing Grid-connected Energy Storage: A Review

Purpose of Review Energy storage is capable of providing a variety of services and solving a multitude of issues in today's rapidly evolving electric power grid. This paper reviews recent research on modeling and optimization methods for optimally controlling and sizing grid-connected battery energy storage systems (BESSs). Open issues and promising research directions are discussed. Recent Findings Recent studies on BESS dispatch, evaluation, and sizing focus on advanced modeling and optimization methods to maximize stacked value streams from multiple services. BESS models have been improved to better represent operational characteristics or capture degradation effects. Different solution methods and optimization techniques have been proposed to improve the benefits and cost-effectiveness of BESSs, using deterministic approaches prevalently but with impressive progress in capturing and addressing uncertainties. Summary Recent progress in BESS scheduling and sizing better supports planning and operational decision-making in different use cases, which is highly important to advance the deployment of BESSs. Additional research is required to properly model the trade-off between short-term benefits and service life with multiple degradation effects explicitly considered in the decision-making process. Advanced methods are to be developed for effectively determining optimal BESS sizes that maximize overall benefits within a varying lifetime considering diversified system, conditions as well as uncertainties at planning and operational stages.

Wu, Di↗

Gradient-informed Hamiltonian Monte Carlo for multicomponent CALPHAD model optimization and uncertainty quantification

CALPHAD model parameter optimization is inherently challenging due to non-smooth objective functions, high-dimensional parameter spaces, and the need for uncertainty quantification (UQ). Traditional weighted nonlinear least squares approaches are computationally efficient but local, whereas black-box global optimizers and ensemble Markov Chain Monte Carlo (MCMC) methods provide broader exploration at substantial computational cost. The objective of this work is to combine the global exploration capability of gradient-informed Hamiltonian Monte Carlo – specifically the No-U-Turn Sampler (NUTS) – with local deterministic refinement using BFGS to efficiently optimize multicomponent CALPHAD models with minimal manual intervention. Analytic gradients are computed via the Jansson derivative framework. The methodology is demonstrated on the Cr—Fe binary system and extended to the Cr—Fe—Ni ternary system with 32 degrees of freedom. For Cr—Fe, NUTS achieves comparable or superior optimality relative to ensemble MCMC while requiring over an order-of-magnitude fewer likelihood evaluations. Parameter uncertainties are quantified through NUTS sampling and propagated to thermodynamic observables using local expansion, demonstrating a novel modular approach that combines binary and ternary parameter subsets without requiring global relaxation. These results establish gradient-informed exploration as a scalable strategy for multicomponent CALPHAD optimization and provide a practical route towards efficient higher-order database development with quantified uncertainty.

36 MATERIALS SCIENCE↗

Geometry-independent microstructure optimization for electron beam powder bed fusion additive manufacturing

The ability to manipulate the formation of microstructure is one of the potential advantages of additive manufacturing. Yet, the additive manufacturing process is riddled with complex interactions between processing parameters, geometry, and spot melting sequence which makes the task of controlling microstructure challenging. This paper proposes a method to solve the microstructure texture optimization problem by leveraging established optimization techniques and increasingly fast and accurate analytical heat transfer models. Respectively, we apply two different optimization algorithms, genetic algorithm and concurrent greedy line search, in order to induce arbitrarily shaped microstructure regions and we use a heat transfer model to evaluate the fitness of solutions in an iterative approach that is far more efficient than pure trial and error. The objective of the optimization algorithm is to control local thermal conditions – hence microstructure formation – during the melting process by manipulating the order and the dwell time of all the points of the infill pattern sequence. We then analyze the optimized sequence to determine important path characteristics that affect the microstructure formation. Through examples, we show that relative order and frequency, as measured by weighted average and variance of spot order, are important factors that influence the final characteristics.

36 MATERIALS SCIENCE↗

Data analytics and optimization of an ice-based energy storage system for commercial buildings

Ice-based thermal energy storage (TES) systems can shift peak cooling demand and reduce operational energy costs (with time-of-use rates) in commercial buildings. The accurate prediction of the cooling load, and the optimal control strategy for managing the charging and discharging of a TES system, are two critical elements to improving system performance and achieving energy cost savings. This study utilizes data-driven analytics and modeling to holistically understand the operation of an ice–based TES system in a shopping mall, calculating the system’s performance using actual measured data from installed meters and sensors. Results show that there is significant savings potential when the current operating strategy is improved by appropriately scheduling the operation of each piece of equipment of the TES system, as well as by determining the amount of charging and discharging for each day. A novel optimal control strategy, determined by an optimization algorithm of Sequential Quadratic Programming, was developed to minimize the TES system’s operating costs. Three heuristic strategies were also investigated for comparison with our proposed strategy, and the results demonstrate the superiority of our method to the heuristic strategies in terms of total energy cost savings. Specifically, the optimal strategy yields energy costs of up to 11.3% per day and 9.3% per month compared with current operational strategies. A one-day-ahead hourly load prediction was also developed using machine learning algorithms, which facilitates the adoption of the developed data analytics and optimization of the control strategy in a real TES system operation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Optimal design of microtube recuperators for an indirect supercritical carbon dioxide recompression closed Brayton cycle

This paper presents a baseline design and optimization approach developed in Aspen Custom Modeler (ACM) for microtube shell-and-tube exchangers (MSTEs) used for high- and low-temperature recuperation in a 10 MWe indirect supercritical carbon dioxide (sCO 2 ) recompression closed Brayton cycle (RCBC). The MSTE-type recuperators are designed using one-dimensional models with thermal-hydraulic correlations appropriate for sCO 2 and properties models that capture considerable nonlinear changes in CO 2 properties near the critical and pseudo-critical points. Using the successive quadratic programming (SQP) algorithm in ACM, optimal recuperator designs are obtained for either custom or industry-standard microtubes considering constraints based on current advanced manufacturing techniques. The three decision variables are the number of tubes, tube pitch-to-diameter ratio, and tube diameter. Five different objective functions based on different key design measures are considered: minimization of total heat transfer area, heat exchanger volume, metal weight, thermal residence time, and maximization of compactness. Sensitivities studies indicate the constraint on the maximum number of tubes per shell does affect the number of parallel heat exchanger trains but not the tube selection, total number of tubes, tube length and other key design measures in the final optimal design when considering industry-standard tubes. In this study, the optimally designed high- and low-temperature recuperators have 47,000 3/32 inch tubes and 63,000 1/16 inch tubes, respectively. In addition, sensitivities to the design temperature approach and maximum allowable pressure drop are studied, since these specifications significantly impact the optimal design of the recuperators as well as the thermal efficiency and the economic performance of the entire sCO 2 Brayton cycle.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Chemical looping air separation with Sr 0.8 Ca0.2Fe 0.9 Co 0.1 O 3-δ perovskite sorbent: Packed bed modeling, verification, and optimization

Chemical looping air separation (CLAS) represents a promising approach for efficient O 2 production from the air. This present study aims at optimizing the absorber/desorber operations and the separation process with extensive experimental validation. Specifically, a one-dimensional packed bed model was developed to investigate the CLAS operation with a Sr 0.8 Ca 0.2 Fe 0.9 Co 0.1 O 3-δ perovskite sorbent. The redox thermodynamics of perovskite sorbent was measured by TGA and then incorporated into a linear driving force model to describe the O 2 absorption and desorption rates. Both 4-step and 5-step air separation cycle configurations, with various cyclic structures, were performed in a subpilot-scale packed bed. The model predicted O2 purity and productivity were consistent with experimental results, supporting its accuracy and applicability. Parametric analysis and multi-objective optimization were further carried out to assess the performance of CLAS. Both O 2 purity and recovery increased monotonically with the cycle time, airflow rate, steam flow rate, and absorption pressure. Meanwhile, optimal O 2 productivity and power consumption can only be achieved by specific combinations of these parameters. The optimized results showed that CLAS can be highly competitive when compared to conventional pressure swing adsorption (PSA) or cryogenic distillation. The 5-step cycle configuration achieved a minimum power consumption of 118 kW·h for producing 1 ton O 2 with ≥ 95% purity. The maximum O 2 productivity reached 0.0932 g O2 /(g sorbent ·h) with 390 kW·h/ton O 2 of energy consumption (95% pure). The optimization results also indicate that CLAS can potentially be more efficient than cryogenic distillation even when the required O 2 purity is above 99%.

42 ENGINEERING↗