Simulated annealing optimisation

As might be expected, established optimisation techniques such as simulated annealing and genetic algorithms have been used to tackle the subset selection problem. These methods... 

The first such approach was described by Martin et al., who used the theory of D-optimal designs in probably the first-ever paper on rational approaches to the selection of reagent libraries [63], Although much cited in the literature, and described in detail in the chapter in this book by Anderson et al. [64], there have been only a few other applications of this approach, possibly because it tends to focus upon the selection of extreme outliers [29, 65]. Instead, we shall focus here on the use of genetic algorithms and simulated annealing since these, and other such approximate approaches to combinatorial optimisation, appear to be well suited to compound-selection applications. 

Best results of simulated annealing runs including a comparison with the observed structures. During the optimisation, many additional structures, corresponding to local minima of the energy hypersurface, have been found in these systems. 

Comparison of the Kalman filter resolution of the ESCA spectra of some binary and ternary lead compound mixtures after search for the optimal alignment by simplex, steepest descent and simulated annealing. Nr is the number of iterations of the optimisation until convergence n.c. no convergence.(From Fresenius J Anal. Chem (1993) 345 490, with permission). 

The aim of the optimisation is to determine the spatial pattern of retrofit flue gas desulphurisation FGD which, for a given total installed capacity of abatement, minimises the magnitude of the difference between the deposition loads and the critical loads for total sulphur deposition at the receptor sites. Such differences between deposition loads and ciritical loads are termed critical load exceedences. For a near continuous distribution of emission controls at about 50 power stations and 11 receptor sites, there are a large number of possible strategies to work through in an exhaustive analysis. The problem was solved using optimisation by simulated annealing [8-10], a specialised iterative improvement technique. 

Optimisation by simulated annealing and retrofit flue gas desulphurisation strategies. 

None of these conclusions about optimal strategies were particularly counterintuitive or different from those which would have been generated fmm an exhaustive search of the large, but not unreasonably lai e, number of possibilities. They served to show that optimisation by simulated annealing could find reliable solutions in cases which could be checked manually. Furthermore they showed that a flexible representation of control strategies could be built to handle aU the features of the acid rain problem in Europe. This flexible representation was then extended to tackle more of the complexities of the situation which would take the... 

Strategies for the control of photochemical oxidants contain information not only on the extent of both hydrocarbons and NO, controls but their separate locations. Optimisation by simulated annealing has been applied to the investigation of optimal strategies for ozone control, involving the simultaneous abatement of hydrocarbons and NO, emissions in concert. This application involves the following stages ... 

The author wishes to express his gratitude to Professor Sir Sam Edwards of the Cavendish Laboratory, University of Cambridge for drawing attention to the potential of optimisation by simulated annealing. This work forms part of the Air... 

For a global optimisation problem the simulated annealing method is applicable with the following specifications [10, 11] ... 

A reduced FORTRAN code to fit the magnetic susceptibility is available on request from the author [17]. The optimisation algorithms selected there cover the simulated annealing method combined with the simplex method. 

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