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Simulation optimization: a review of algorithms and applications | SpringerLink
The continued optimism in market principles amidst such a non-ideal market reveals the tenacious ideological commitment to neoliberalism in these global health projects. Automated parameterization of intermolecular pair potentials using global optimization techniques. In this work, different global optimization techniques are assessed for the automated development of molecular force fields, as used in molecular dynamics and Monte Carlo simulations.
The quest of finding suitable force field parameters is treated as a mathematical minimization problem.
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Intricate problem characteristics such as extremely costly and even abortive simulations, noisy simulation results, and especially multiple local minima naturally lead to the use of sophisticated global optimization algorithms. Five diverse algorithms pure random search, recursive random search, CMA-ES, differential evolution, and taboo search are compared to our own tailor-made solution named CoSMoS.
CoSMoS is an automated workflow. It models the parameters' influence on the simulation observables to detect a globally optimal set of parameters. It is shown how and why this approach is superior to other algorithms. Applied to suitable test functions and simulations for phosgene, CoSMoS effectively reduces the number of required simulations and real time for the optimization task.
Optimizing molecular properties using a relative index of thermodynamic stability and global optimization techniques. We devised a global optimization GO strategy for optimizing molecular properties with respect to both geometry and chemical composition. A relative index of thermodynamic stability RITS is introduced to allow meaningful energy comparisons between different chemical species. We use the RITS by itself, or in combination with another calculated property, to create an objective function F to be minimized.
Including the RITS in the definition of F ensures that the solutions have some degree of thermodynamic stability. An important phase of any Stereo Imaging Velocimetry experiment is particle tracking. Particle tracking seeks to identify and characterize the motion of individual particles entrained in a fluid or air experiment. We analyze a cylindrical chamber filled with water and seeded with density-matched particles. In every four-frame sequence, we identify a particle track by assigning a unique track label for each camera image.
Guided Randomness in Optimization, Volume 1
The conventional approach to particle tracking is to use an exhaustive tree-search method utilizing greedy algorithms to reduce search times. However, these types of algorithms are not optimal due to a cascade effect of incorrect decisions upon adjacent tracks. We examine the use of a guided evolutionary neural net with simulated annealing to arrive at a globally optimal assignment of tracks.
The net is guided both by the minimization of the search space through the use of prior limiting assumptions about valid tracks and by a strategy which seeks to avoid high-energy intermediate states which can trap the net in a local minimum. A stochastic search algorithm is used in place of back-propagation of error to further reduce the chance of being trapped in an energy well. Global optimization is achieved by minimizing an objective function, which includes both track smoothness and particle-image utilization parameters.
In this paper we describe our model and present our experimental results. We compare our results with a nonoptimizing, predictive tracker and obtain an average increase in valid track yield of 27 percent. Robust breathing signal extraction from cone beam CT projections based on adaptive and global optimization techniques. PubMed Central.
We present a study of extracting respiratory signals from cone beam computed tomography CBCT projections within the framework of the Amsterdam Shroud AS technique. Acquired prior to the radiotherapy treatment, CBCT projections were preprocessed for contrast enhancement by converting the original intensity images to attenuation images with which the AS image was created. An adaptive robust z-normalization filtering was applied to further augment the weak oscillating structures locally.
From the enhanced AS image, the respiratory signal was extracted using a two-step optimization approach to effectively reveal the large-scale regularity of the breathing signals.
Guided Randomness in Optimization
Stable breathing signals can be reliably extracted using the proposed algorithm. Reference waveforms obtained using an air bellows belt Philips Medical Systems, Cleveland, OH were exported and compared to those with the AS based signals. The new algorithm outperformed the original AS technique for all patients by 8.
The impact of gantry rotation on the breathing signal was assessed with data acquired with a Quasar phantom Modus Medical Devices Inc. The new technique developed in this work will provide a practical solution to rendering markerless breathing signal using the CBCT projections for thoracic and abdominal patients. The design of interplanetary trajectories requires the solution of an optimization problem, which has been traditionally solved by resorting to various local optimization techniques. All such approaches, apart from the specific method employed direct or indirect , require an initial guess, which deeply influences the convergence to the optimal solution.
The recent developments in low-thrust propulsion have widened the perspectives of exploration of the Solar System, while they have at the same time increased the difficulty related to the trajectory design process. Continuous thrust transfers, typically characterized by multiple spiraling arcs, have a broad number of design parameters and thanks to the flexibility offered by such engines, they typically turn out to be characterized by a multi-modal domain, with a consequent larger number of optimal solutions.
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Thus the definition of the first guesses is even more challenging, particularly for a broad search over the design parameters, and it requires an extensive investigation of the domain in order to locate the largest number of optimal candidate solutions and possibly the global optimal one. In this paper a tool for the preliminary definition of interplanetary transfers with coast-thrust arcs and multiple swing-bys is presented.
Such goal is achieved combining a novel methodology for the description of low-thrust arcs, with a global optimization algorithm based on a hybridization of an evolutionary step and a deterministic step. Low thrust arcs are described in a 3D model in order to account the beneficial effects of low-thrust propulsion for a change of inclination, resorting to a new methodology based on an inverse method. The two-point boundary values problem TPBVP associated with a thrust arc is solved by imposing a proper parameterized evolution of the orbital parameters, by which, the acceleration required to follow the given trajectory with respect to the constraints set is obtained simply through.
Top-down constraints on global N2O emissions at optimal resolution: application of a new dimension reduction technique. Wells, Kelley C. We present top-down constraints on global monthly N2O emissions for from a multi-inversion approach and an ensemble of surface observations. The inversions employ the GEOS-Chem adjoint and an array of aggregation strategies to test how well current observations can constrain the spatial distribution of global N2O emissions. The optimized global flux ranges from We find that the tropics provide a greater contribution to the global N2O flux than is predicted by the prior bottom-up inventories, likely due to underestimated agricultural and oceanic emissions.
We infer an overestimate of natural soil emissions in the extratropics and find that predicted emissions are seasonally biased in northern midlatitudes. Here, optimized fluxes exhibit a springtime peak consistent with the timing of spring fertilizer and manure application, soil thawing, and elevated soil moisture. Finally, the inversions reveal a major emission underestimate in the US Corn Belt in the bottom-up inventory used here.
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