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At least 793 records · Page 44

Advanced Method Optimization for Sampling and Analysis Instrumentation

This work presents a generalized approach for analytical method optimization that branches the gap between techniques historically employed and accurate modern optimization techniques suitable for various applications. The novelty of the described strategy is the utilization of multivariate, multiobjective optimization with Karush-Kuhn-Tucker conditions to bound the optimization space to solutions within the physical limitations of instrumentation. Briefly, the basic steps outlined in this paper are to (1) determine the objective(s) that should be maximized or minimized based on the goals of the analytical application, (2) conduct a screening experiment, (3) perform ANOVA to determine the parameters which have a statistically significant effect on the objective, (4) conduct an experiment (e.g., Box-Behnken design) to collect data for fitting the objective equation, and (5) determine the physical constraints of the parameters and solve the Lagrangian to determine the optimal method parameters. A broad approach to optimization target selection allows for robust method tuning to develop improved data sets amenable for chemometrics and machine learning algorithm development. Gas chromatography-mass spectrometry was selected as a use case due to its broad use across scientific fields and time-consuming method development involving numerous parameters. In conclusion, this strategy can reduce the cost of research, improve data quality, and enable the rapid development of new analytical technique.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimal motion planning for collision avoidance of mobile robots in non-stationary environments

An optimal control formulation of the problem of collision avoidance of mobile robots moving in general terrains containing moving obstacles is presented. A dynamic model of the mobile robot and the dynamic constraints are derived. Collision avoidance is guaranteed if the minimum distance between the robot and the object is nonzero. A nominal trajectory is assumed to be known from off-line planning. The main idea is to change the velocity along the nominal trajectory so that collisions are avoided. Time consistency with the nominal plan is desirable. A numerical solution of the optimization problem is obtained. A perturbation control type of approach is used to update the optimal plan. Simulation results verify the value of the proposed strategy.

Kyriakopoulos, K. J.↗

An optimum settling problem for time lag systems.

A solution is presented to an optimization problem for time lag systems by the classical method of Lagrange multipliers in a Banach space. Following terminology and assumption definitions, the regularity and controllability of the Lagrange multipliers problem is discussed, and a set of necessary conditions for an optimal control is derived. In conclusion, the solution existence, uniqueness, and sufficiency are established.

Jacobs, M. Q.↗

Pseudo-time methods for constrained optimization problems governed by PDE

In this paper we present a novel method for solving optimization problems governed by partial differential equations. Existing methods are gradient information in marching toward the minimum, where the constrained PDE is solved once (sometimes only approximately) per each optimization step. Such methods can be viewed as a marching techniques on the intersection of the state and costate hypersurfaces while improving the residuals of the design equations per each iteration. In contrast, the method presented here march on the design hypersurface and at each iteration improve the residuals of the state and costate equations. The new method is usually much less expensive per iteration step since, in most problems of practical interest, the design equation involves much less unknowns that that of either the state or costate equations. Convergence is shown using energy estimates for the evolution equations governing the iterative process. Numerical tests show that the new method allows the solution of the optimization problem in a cost of solving the analysis problems just a few times, independent of the number of design parameters. The method can be applied using single grid iterations as well as with multigrid solvers.

Taasan, Shlomo↗

Nonlinear Rescaling and Proximal-Like Methods in Convex Optimization

The nonlinear rescaling principle (NRP) consists of transforming the objective function and/or the constraints of a given constrained optimization problem into another problem which is equivalent to the original one in the sense that their optimal set of solutions coincides. A nonlinear transformation parameterized by a positive scalar parameter and based on a smooth scaling function is used to transform the constraints. The methods based on NRP consist of sequential unconstrained minimization of the classical Lagrangian for the equivalent problem, followed by an explicit formula updating the Lagrange multipliers. We first show that the NRP leads naturally to proximal methods with an entropy-like kernel, which is defined by the conjugate of the scaling function, and establish that the two methods are dually equivalent for convex constrained minimization problems. We then study the convergence properties of the nonlinear rescaling algorithm and the corresponding entropy-like proximal methods for convex constrained optimization problems. Special cases of the nonlinear resealing algorithm are presented. In particular a new class of exponential penalty-modified barrier functions methods is introduced.

Polyak, Roman↗

District-Scale Analysis of Electricity Load and Strategies to Improve Energy Reliability Using Prototype District Models

Projected increases in electricity demand in the U.S. highlight the urgent need for effective load management to ensure grid reliability. As the building sector accounts for approximately 75% of electricity usage, enhancing energy efficiency and flexibility in this sector is crucial. Adopting district-level approaches offers significant advantages over traditional individual building analyses by enabling shared infrastructure and economies of scale. To navigate the data and computational challenges associated with modeling energy at the district level, prototype district models have been proposed as holistic, system-level solutions that capture complex interactions within typical configurations. This study presents these models as a reference tool for analyzing district-scale energy systems across various climate zones in the U.S. Developed with input from stakeholders, these models integrate varied building characteristics, inter-building connections, and energy system interactions. A case study utilizing the Urban Edge prototype district model, implemented on the URBANopt™ platform, evaluates multiple demand scenarios and the impact of distributed energy resources such as fuel-fired backup generators, photovoltaic systems, and batteries. Findings suggest that while new electric systems can significantly reduce annual energy use, they may also elevate peak electricity loads, with a notable 43% increase in heating-dominant climate zone 5B. The optimal backup power solutions vary based on location, influenced by factors such as utility rates and incentives. For example, PV and batteries perform well in high-cost regions like New York City, while diesel backup generators are more suitable for backup needs in climate zone 3A, such as Atlanta. Thus, this research highlights the importance of prototype district models for future district-scale energy planning.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Optimal slewing maneuvers for flexible spacecraft using a closed form solution for the linear tracking problem

The problem of maneuvering a flexible spacecraft through a large angle while requiring the feedback control system to track a desired output state is considered. The desired output state is assumed to be provided by the corresponding open-loop maneuvering solution for the linear system model. Closed form solutions are provided for the Riccati and prefilter equations defining the optimal control. Example maneuvers are presented where control-rate penalties have been included in the performance index, in order to smooth both the open- and closed-loop control commands.

Turner, J. D.↗

Kinematics and constraints associated with swashplate blade pitch control

An important class of techniques to reduce helicopter vibration is based on using a Higher Harmonic controller to optimally define the Higher Harmonic blade pitch. These techniques typically require solution of a general optimization problem requiring the determination of a control vector which minimizes a performance index where functions of the control vector are subject to inequality constraints. Six possible constraint functions associated with swashplate blade pitch control were identified and defined. These functions constrain: (1) blade pitch Fourier Coefficients expressed in the Rotating System, (2) blade pitch Fourier Coefficients expressed in the Nonrotating System, (3) stroke of the individual actuators expressed in the Nonrotating System, (4) blade pitch expressed as a function of blade azimuth and actuator stroke, (5) time rate-of-change of the aforementioned parameters, and (6) required actuator power. The aforementioned constraints and the associated kinematics of swashplate blade pitch control by means of the strokes of the individual actuators are documented.

Leyland, Jane A.↗

Adaptive Multi-Agent Systems for Constrained Optimization

Product Distribution (PD) theory is a new framework for analyzing and controlling distributed systems. Here we demonstrate its use for distributed stochastic optimization. First we review one motivation of PD theory, as the information-theoretic extension of conventional full-rationality game theory to the case of bounded rational agents. In this extension the equilibrium of the game is the optimizer of a Lagrangian of the (probability distribution of) the joint state of the agents. When the game in question is a team game with constraints, that equilibrium optimizes the expected value of the team game utility, subject to those constraints. The updating of the Lagrange parameters in the Lagrangian can be viewed as a form of automated annealing, that focuses the MAS more and more on the optimal pure strategy. This provides a simple way to map the solution of any constrained optimization problem onto the equilibrium of a Multi-Agent System (MAS). We present computer experiments involving both the Queen s problem and K-SAT validating the predictions of PD theory and its use for off-the-shelf distributed adaptive optimization.

Macready, William↗

Pairing a Global Optimization Algorithm with EXAFS to Characterize Lanthanide Structure in Solution

Ensemble-average sampling of structures from ab initio molecular dynamics (AIMD) simulations can be used to predict theoretical extended X-ray absorption fine structure (EXAFS) signals that closely match experimental spectra. However, AIMD simulations are time-consuming and resource-intensive, particularly for solvated lanthanide ions, which often form multiple nonrigid geometries with high coordination numbers. Here, to accelerate the characterization of lanthanide structures in solution, we employed the Northwest Potential Energy Surface Search Engine (NWPEsSe), an adaptive-learning global optimization algorithm, to efficiently screen first-shell structures. As case studies, we examine two systems: Eu(NO 3 ) 3 dissolved in acetonitrile with a terpyridine ligand (terpyNO 2 ), and Nd(NO 3 ) 3 dissolved in acetonitrile. The theoretical spectra for structures identified by NWPEsSe were compared to both experimental and AIMD-derived EXAFS spectra. The NWPEsSe algorithm successfully identified the proper solvation structure for both Eu(NO 3 ) 3 (terpyNO 2 ) and Nd(NO 3 )(acetonitrile) 3 , with the calculated EXAFS signals closely matching the experimental spectra for the Eu-ligand complex and showing good similarity for the Nd salt; the better agreement with the ligand-containing structure is attributed to a less dynamic coordination environment due to the rigid ligand. The key advantage of the global optimization algorithm lies in its ability to sample the coordination environment across the potential energy surface and reduce the time required to identify structures from generally a month to within a week. Additionally, this approach is versatile and can be adapted to characterize main-group metal complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimal Force Control of Vibro-Impact Systems for Autonomous Drilling Applications

The need to maintain optimal energy efficiency is critical during the drilling operations performed on future and current planetary rover missions (see figure). Specifically, this innovation seeks to solve the following problem. Given a spring-loaded percussive drill driven by a voice-coil motor, one needs to determine the optimal input voltage waveform (periodic function) and the optimal hammering period that minimizes the dissipated energy, while ensuring that the hammer-to-rock impacts are made with sufficient (user-defined) impact velocity (or impact energy). To solve this problem, it was first observed that when voice-coil-actuated percussive drills are driven at high power, it is of paramount importance to ensure that the electrical current of the device remains in phase with the velocity of the hammer. Otherwise, negative work is performed and the drill experiences a loss of performance (i.e., reduced impact energy) and an increase in Joule heating (i.e., reduction in energy efficiency). This observation has motivated many drilling products to incorporate the standard bang-bang control approach for driving their percussive drills. However, the bang-bang control approach is significantly less efficient than the optimal energy-efficient control approach solved herein. To obtain this solution, the standard tools of classical optimal control theory were applied. It is worth noting that these tools inherently require the solution of a two-point boundary value problem (TPBVP), i.e., a system of differential equations where half the equations have unknown boundary conditions. Typically, the TPBVP is impossible to solve analytically for high-dimensional dynamic systems. However, for the case of the spring-loaded vibro-impactor, this approach yields the exact optimal control solution as the sum of four analytic functions whose coefficients are determined using a simple, easy-to-implement algorithm. Once the optimal control waveform is determined, it can be used optimally in the context of both open-loop and closed-loop control modes (using standard realtime control hardware).

Aldrich, Jack B.↗

A Study of Penalty Function Methods for Constraint Handling with Genetic Algorithm

COMETBOARDS (Comparative Evaluation Testbed of Optimization and Analysis Routines for Design of Structures) is a design optimization test bed that can evaluate the performance of several different optimization algorithms. A few of these optimization algorithms are the sequence of unconstrained minimization techniques (SUMT), sequential linear programming (SLP) and the sequential quadratic programming techniques (SQP). A genetic algorithm (GA) is a search technique that is based on the principles of natural selection or "survival of the fittest". Instead of using gradient information, the GA uses the objective function directly in the search. The GA searches the solution space by maintaining a population of potential solutions. Then, using evolving operations such as recombination, mutation and selection, the GA creates successive generations of solutions that will evolve and take on the positive characteristics of their parents and thus gradually approach optimal or near-optimal solutions. By using the objective function directly in the search, genetic algorithms can be effectively applied in non-convex, highly nonlinear, complex problems. The genetic algorithm is not guaranteed to find the global optimum, but it is less likely to get trapped at a local optimum than traditional gradient-based search methods when the objective function is not smooth and generally well behaved. The purpose of this research is to assist in the integration of genetic algorithm (GA) into COMETBOARDS. COMETBOARDS cast the design of structures as a constrained nonlinear optimization problem. One method used to solve constrained optimization problem with a GA to convert the constrained optimization problem into an unconstrained optimization problem by developing a penalty function that penalizes infeasible solutions. There have been several suggested penalty function in the literature each with there own strengths and weaknesses. A statistical analysis of some suggested penalty functions is performed in this study. Also, a response surface approach to robust design is used to develop a new penalty function approach. This new penalty function approach is then compared with the other existing penalty functions.

Ortiz, Francisco↗

Complexity Science Applications to Dynamic Trajectory Management: Research Strategies

The promise of the Next Generation Air Transportation System (NextGen) is strongly tied to the concept of trajectory-based operations in the national airspace system. Existing efforts to develop trajectory management concepts are largely focused on individual trajectories, optimized independently, then de-conflicted among each other, and individually re-optimized, as possible. The benefits in capacity, fuel, and time are valuable, though perhaps could be greater through alternative strategies. The concept of agent-based trajectories offers a strategy for automation of simultaneous multiple trajectory management. The anticipated result of the strategy would be dynamic management of multiple trajectories with interacting and interdependent outcomes that satisfy multiple, conflicting constraints. These constraints would include the business case for operators, the capacity case for the Air Navigation Service Provider (ANSP), and the environmental case for noise and emissions. The benefits in capacity, fuel, and time might be improved over those possible under individual trajectory management approaches. The proposed approach relies on computational agent-based modeling (ABM), combinatorial mathematics, as well as application of "traffic physics" concepts to the challenge, and modeling and simulation capabilities. The proposed strategy could support transforming air traffic control from managing individual aircraft behaviors to managing systemic behavior of air traffic in the NAS. A system built on the approach could provide the ability to know when regions of airspace approach being "full," that is, having non-viable local solution space for optimizing trajectories in advance.

Sawhill, Bruce↗

Machine Learning Techniques in Optimal Design

Many important applications can be formalized as constrained optimization tasks. For example, we are studying the engineering domain of two-dimensional (2-D) structural design. In this task, the goal is to design a structure of minimum weight that bears a set of loads. A solution to a design problem in which there is a single load (L) and two stationary support points (S1 and S2) consists of four members, E1, E2, E3, and E4 that connect the load to the support points is discussed. In principle, optimal solutions to problems of this kind can be found by numerical optimization techniques. However, in practice [Vanderplaats, 1984] these methods are slow and they can produce different local solutions whose quality (ratio to the global optimum) varies with the choice of starting points. Hence, their applicability to real-world problems is severely restricted. To overcome these limitations, we propose to augment numerical optimization by first performing a symbolic compilation stage to produce: (a) objective functions that are faster to evaluate and that depend less on the choice of the starting point and (b) selection rules that associate problem instances to a set of recommended solutions. These goals are accomplished by successive specializations of the problem class and of the associated objective functions. In the end, this process reduces the problem to a collection of independent functions that are fast to evaluate, that can be differentiated symbolically, and that represent smaller regions of the overall search space. However, the specialization process can produce a large number of sub-problems. This is overcome by deriving inductively selection rules which associate problems to small sets of specialized independent sub-problems. Each set of candidate solutions is chosen to minimize a cost function which expresses the tradeoff between the quality of the solution that can be obtained from the sub-problem and the time it takes to produce it. The overall solution to the problem, is then obtained by solving in parallel each of the sub-problems in the set and computing the one with the minimum cost. In addition to speeding up the optimization process, our use of learning methods also relieves the expert from the burden of identifying rules that exactly pinpoint optimal candidate sub-problems. In real engineering tasks it is usually too costly to the engineers to derive such rules. Therefore, this paper also contributes to a further step towards the solution of the knowledge acquisition bottleneck [Feigenbaum, 1977] which has somewhat impaired the construction of rulebased expert systems.

Cerbone, Giuseppe↗

Enhanced Fuel-Optimal Trajectory-Generation Algorithm for Planetary Pinpoint Landing

An enhanced algorithm is developed that builds on a previous innovation of fuel-optimal powered-descent guidance (PDG) for planetary pinpoint landing. The PDG problem is to compute constrained, fuel-optimal trajectories to land a craft at a prescribed target on a planetary surface, starting from a parachute cut-off point and using a throttleable descent engine. The previous innovation showed the minimal-fuel PDG problem can be posed as a convex optimization problem, in particular, as a Second-Order Cone Program, which can be solved to global optimality with deterministic convergence properties, and hence is a candidate for onboard implementation. To increase the speed and robustness of this convex PDG algorithm for possible onboard implementation, the following enhancements are incorporated: 1) Fast detection of infeasibility (i.e., control authority is not sufficient for soft-landing) for subsequent fault response. 2) The use of a piecewise-linear control parameterization, providing smooth solution trajectories and increasing computational efficiency. 3) An enhanced line-search algorithm for optimal time-of-flight, providing quicker convergence and bounding the number of path-planning iterations needed. 4) An additional constraint that analytically guarantees inter-sample satisfaction of glide-slope and non-sub-surface flight constraints, allowing larger discretizations and, hence, faster optimization. 5) Explicit incorporation of Mars rotation rate into the trajectory computation for improved targeting accuracy. These enhancements allow faster convergence to the fuel-optimal solution and, more importantly, remove the need for a "human-in-the-loop," as constraints will be satisfied over the entire path-planning interval independent of step-size (as opposed to just at the discrete time points) and infeasible initial conditions are immediately detected. Finally, while the PDG stage is typically only a few minutes, ignoring the rotation rate of Mars can introduce 10s of meters of error. By incorporating it, the enhanced PDG algorithm becomes capable of pinpoint targeting.

Acikmese, Behcet↗

Near-Optimal Performance of Stochastic Model Predictive Control

Here, this article presents a regret analysis for stochastic model predictive control (SMPC) in linear systems with quadratic performance index and additive and multiplicative uncertainties. Under a finite support assumption, the problem can be cast as a finite-dimensional quadratic program, but the problem becomes quickly intractable as the problem size grows exponentially in the horizon length. SMPC aims to compute approximate solutions by solving a sequence of problems with truncated prediction horizons and committing the solution in a receding-horizon fashion. Although this approach is widely used in practice, its performance relative to the optimal solution is not well understood. This article reports for the first time a rigorous near-optimal performance guarantee of SMPC: under stabilizability and detectability conditions, the regret of SMPC is exponentially small in the prediction horizon length, allowing SMPC to achieve near-optimal performance at a substantially reduced computational expense.

93E20, 93B45↗

Solution algorithms for non-linear singularly perturbed optimal control problems

The applicability and usefulness of several classical and other methods for solving the two-point boundary-value problem which arises in non-linear singularly perturbed optimal control are assessed. Specific algorithms of the Picard, Newton and averaging types are formally developed for this class of problem. The computational requirements associated with each algorithm are analysed and compared with the computational requirement of the method of matched asymptotic expansions. Approximate solutions to a linear and a non-linear problem are obtained by each method and compared.

Ardema, M. D.↗

Electrocoagulation Combined with Ultrafiltration Membranes as Pretreatment for RO Desalination of Synthetic Cooling Tower Blowdown Water

Electrocoagulation (EC), an electrochemical water treatment process, is commonly used to remove particulate and colloidal matter from water. Here, in this study, we demonstrate that EC, when coupled with membrane filtration, is also capable of removing dissolved species, such as Ca + , Mg 2+ , and SiO x . The removal of such species is important for downstream membrane-based desalination treatment of the water that can suffer from reduced performance due to membrane scaling. Here, we describe how EC can be combined with a low-pressure membrane (LPM) system to offer efficient (and potentially universal) pretreatment for downstream membrane desalination. Synthetic water, simulating cooling tower blowdown (CTBD) with elevated concentrations of hardness and silicates (Ca: 418 ppm, Mg: 63 ppm, SiO 2 : 50 ppm) is treated using EC coupled to ultrafiltration (UF) to remove Mg up to 30 ± 1%, Ca up to 29 ± 1%, and silica up to 99 ± 1%. We evaluated the effectiveness of the EC-UF pretreatment system in reducing downstream RO scaling using thermodynamic modeling to predict the saturation index (SI) at the RO membrane/water interface. An SI value below zero (SI < 0) indicates under-saturated conditions (with respect to a particular mineral) where mineral scaling does not take place, which correlates with improved water recovery. Our findings suggest that the EC-UF pretreatment system was able to increase water recovery by up to 30%, compared to 0% recovery without pretreatment, under optimal conditions (feed solution pH of 7 and an EC charge loading of 1800 C/L). Finally, we conducted an economic analysis showing that implementing an EC-UF system for CTBD water could yield a cost benefit of up to $\$$14.13 per m 3 compared to direct brine disposal.

cooling tower blowdown↗