Optimization Of Groundwater Remediation With New Efficient Parallel Algorithm For Global Optimization

Application of optimization algorithm to PDE modeling groundwater remediation can greatly reduce remediation cost. However, groundwater remediation analysis requires a computational expensive simulation, therefore, effective parallel optimization could potentially greatly reduce computational expense. The optimization algorithm used in this research is Parallel Stochastic radial basis function. This is designed for global optimization of computationally expensive functions with multiple local optima and it does not require derivatives. In each iteration of the algorithm, an RBF is updated based on all the evaluated points in order to approximate expensive function. Then the new RBF surface is used to generate the next set of points, which will be distributed to multiple processors for evaluation. The criteria of selection of next function evaluation points are estimated function value and distance from all the points known. Algorithms created for serial computing are not necessarily efficient in parallel so Parallel Stochastic RBF is different algorithm from its serial ancestor. The application for two Groundwater Superfund Remediation sites, Umatilla Chemical Depot, and Former Blaine Naval Ammunition Depot. In the study, the formulation adopted treats pumping rates as decision variables in order to remove plume of contaminated groundwater. Groundwater flow and contamination transport is simulated with MODFLOW-MT3DMS. For both problems, computation takes a large amount of CPU time, especially for Blaine problem, which requires nearly fifty minutes for a simulation for a single set of decision variables. Thus, efficient algorithm and powerful computing resource are essential in both cases. The results are discussed in terms of parallel computing metrics i.e. speedup and efficiency. We find that with use of up to 24 parallel processors, the results of the parallel Stochastic RBF algorithm are excellent with speed up efficiencies close to or exceeding 100%.

BBA: A binary bat algorithm for feature selection

Feature selection aims to find the most important information from a given set of features. As this task can be seen as an optimization problem, the combinatorial growth of the possible solutions may be in-viable for a exhaustive search. In this paper we propose a new nature-inspired feature selection technique based on the bats behaviour, which has never been applied to this context so far. The wrapper approach combines the power of exploration of the bats together with the speed of the Optimum-Path Forest classifier to find the set of features that maximizes the accuracy in a validating set. Experiments conducted in five public datasets have demonstrated that the proposed approach can outperform some well-known swarm-based techniques. © 2012 IEEE.

Inversão de dados de sísmica de refração profunda a partir da curva tempo-distância

O trabalho em pauta tem como objetivo o modelamento da crosta, através da inversão de dados de refração sísmica profunda, segundo camadas planas horizontais lateralmente homogêneas, sobre um semi-espaço. O modelo direto é dado pela expressão analítica da curva tempo-distância como uma função que depende da distância fonte-estação e do vetor de parâmetros velocidades e espessuras de cada camada, calculado segundo as trajetórias do raio sísmico, regidas pela Lei de Snell. O cálculo dos tempos de chegada por este procedimento, exige a utilização de um modelo cujas velocidades sejam crescentes com a profundidade, de modo que a ocorrência das camadas de baixa velocidade (CBV) é contornada pela reparametrização do modelo, levando-se em conta o fato de que o topo da CBV funciona apenas como um refletor do raio sísmico, e não como refrator. A metodologia de inversão utilizada tem em vista não só a determinação das soluções possíveis, mas também a realização de uma análise sobre as causas responsáveis pela ambiguidade do problema. A região de pesquisa das prováveis soluções é vinculada segundo limites superiores e inferiores para cada parâmetro procurado, e pelo estabelecimento de limites superiores para os valores de distâncias críticas, calculadas a partir do vetor de parâmetros. O processo de inversão é feito utilizando-se uma técnica de otimização do ajuste de curvas através da busca direta no espaço dos parâmetros, denominado COMPLEX. Esta técnica apresenta a vantagem de poder ser utilizada com qualquer função objeto, e ser bastante prática na obtenção de múltiplas soluções do problema. Devido a curva tempo-distância corresponder ao caso de uma multi-função, o algoritmo foi adaptado de modo a minimizar simultaneamente várias funções objetos, com vínculos nos parâmetros. A inversão é feita de modo a se obter um conjunto de soluções representativas do universo existente. Por sua vez, a análise da ambiguidade é realizada pela análise fatorial modo-Q, através da qual é possível se caracterizar as propriedades comuns existentes no elenco das soluções analisadas. Os testes com dados sintéticos e reais foram feitos tendo como aproximação inicial ao processo de inversão, os valores de velocidades e espessuras calculados diretamente da interpretação visual do sismograma. Para a realização dos primeiros, utilizou-se sismogramas calculados pelo método da refletividade, segundo diferentes modelos. Por sua vez, os testes com dados reais foram realizados utilizando-se dados extraídos de um dos sismogramas coletados pelo projeto Lithospheric Seismic Profile in Britain (LISPB), na região norte da Grã-Bretanha. Em todos os testes foi verificado que a geometria do modelo possui um maior peso na ambiguidade do problema, enquanto os parâmetros físicos apresentam apenas suaves variações, no conjunto das soluções obtidas.

Discovering promising regions to help global numerical optimization algorithms

We have developed an algorithm using a Design of Experiments technique for reduction of search-space in global optimization problems. Our approach is called Domain Optimization Algorithm. This approach can efficiently eliminate search-space regions with low probability of containing a global optimum. The Domain Optimization Algorithm approach is based on eliminating non-promising search-space regions, which are identifyed using simple models (linear) fitted to the data. Then, we run a global optimization algorithm starting its population inside the promising region. The proposed approach with this heuristic criterion of population initialization has shown relevant results for tests using hard benchmark functions.

Methodological improvement of 3D fluoroscopic analysis for the robust quantification of 3D kinematics of human joints

3D video-fluoroscopy is an accurate but cumbersome technique to estimate natural or prosthetic human joint kinematics. This dissertation proposes innovative methodologies to improve the 3D fluoroscopic analysis reliability and usability. Being based on direct radiographic imaging of the joint, and avoiding soft tissue artefact that limits the accuracy of skin marker based techniques, the fluoroscopic analysis has a potential accuracy of the order of mm/deg or better. It can provide fundamental informations for clinical and methodological applications, but, notwithstanding the number of methodological protocols proposed in the literature, time consuming user interaction is exploited to obtain consistent results. The user-dependency prevented a reliable quantification of the actual accuracy and precision of the methods, and, consequently, slowed down the translation to the clinical practice. The objective of the present work was to speed up this process introducing methodological improvements in the analysis. In the thesis, the fluoroscopic analysis was characterized in depth, in order to evaluate its pros and cons, and to provide reliable solutions to overcome its limitations. To this aim, an analytical approach was followed. The major sources of error were isolated with in-silico preliminary studies as: (a) geometric distortion and calibration errors, (b) 2D images and 3D models resolutions, (c) incorrect contour extraction, (d) bone model symmetries, (e) optimization algorithm limitations, (f) user errors. The effect of each criticality was quantified, and verified with an in-vivo preliminary study on the elbow joint. The dominant source of error was identified in the limited extent of the convergence domain for the local optimization algorithms, which forced the user to manually specify the starting pose for the estimating process. To solve this problem, two different approaches were followed: to increase the optimal pose convergence basin, the local approach used sequential alignments of the 6 degrees of freedom in order of sensitivity, or a geometrical feature-based estimation of the initial conditions for the optimization; the global approach used an unsupervised memetic algorithm to optimally explore the search domain. The performances of the technique were evaluated with a series of in-silico studies and validated in-vitro with a phantom based comparison with a radiostereometric gold-standard. The accuracy of the method is joint-dependent, and for the intact knee joint, the new unsupervised algorithm guaranteed a maximum error lower than 0.5 mm for in-plane translations, 10 mm for out-of-plane translation, and of 3 deg for rotations in a mono-planar setup; and lower than 0.5 mm for translations and 1 deg for rotations in a bi-planar setups. The bi-planar setup is best suited when accurate results are needed, such as for methodological research studies. The mono-planar analysis may be enough for clinical application when the analysis time and cost may be an issue. A further reduction of the user interaction was obtained for prosthetic joints kinematics. A mixed region-growing and level-set segmentation method was proposed and halved the analysis time, delegating the computational burden to the machine. In-silico and in-vivo studies demonstrated that the reliability of the new semiautomatic method was comparable to a user defined manual gold-standard. The improved fluoroscopic analysis was finally applied to a first in-vivo methodological study on the foot kinematics. Preliminary evaluations showed that the presented methodology represents a feasible gold-standard for the validation of skin marker based foot kinematics protocols.

Prediction of new crystal structures under extreme conditions

One of the most important challenges in chemistry and material science is the connection between the contents of a compound and its chemical and physical properties. In solids, these are greatly influenced by the crystal structure.rnrnThe prediction of hitherto unknown crystal structures with regard to external conditions like pressure and temperature is therefore one of the most important goals to achieve in theoretical chemistry. The stable structure of a compound is the global minimum of the potential energy surface, which is the high dimensional representation of the enthalpy of the investigated system with respect to its structural parameters. The fact that the complexity of the problem grows exponentially with the system size is the reason why it can only be solved via heuristic strategies.rnrnImprovements to the artificial bee colony method, where the local exploration of the potential energy surface is done by a high number of independent walkers, are developed and implemented. This results in an improved communication scheme between these walkers. This directs the search towards the most promising areas of the potential energy surface.rnrnThe minima hopping method uses short molecular dynamics simulations at elevated temperatures to direct the structure search from one local minimum of the potential energy surface to the next. A modification, where the local information around each minimum is extracted and used in an optimization of the search direction, is developed and implemented. Our method uses this local information to increase the probability of finding new, lower local minima. This leads to an enhanced performance in the global optimization algorithm.rnrnHydrogen is a highly relevant system, due to the possibility of finding a metallic phase and even superconductor with a high critical temperature. An application of a structure prediction method on SiH12 finds stable crystal structures in this material. Additionally, it becomes metallic at relatively low pressures.

Differential Evoluiton - Particle Swarm Optimization

This paper shows the Particle Swarm Optimization algorithm with a Differential Evolution. Each candidate solution is sampled uniformly in [!5,5] D, whereDdenotes the search space dimension, and the evolution is performed with a classical PSO algorithm and a classical DE/x/1 algorithm according to a random threshold.

Towards the Natural Optimization with Particle Swarm Optimization.

This paper shows the Particle Swarm Optimization algorithm with a Differential Evolution. Each candidate solution is sampled in the interval [?5, 5] D where D indicates the dimension of the search space, and the evolution is performed with a classical PSO algorithm and a classical DE/x/1 algorithm according to a random threshold. Moreover, this paper provides concepts to deal with non-linear optimization through the use of PSO.

Logic-Based Outer-Approximation Algorithm for Solving Discrete-Continuous Dynamic Optimization Problems

We present an extension of the logic outer-approximation algorithm for dealing with disjunctive discrete-continuous optimal control problems whose dynamic behavior is modeled in terms of differential-algebraic equations. Although the proposed algorithm can be applied to a wide variety of discrete-continuous optimal control problems, we are mainly interested in problems where disjunctions are also present. Disjunctions are included to take into account only certain parts of the underlying model which become relevant under some processing conditions. By doing so the numerical robustness of the optimization algorithm improves since those parts of the model that are not active are discarded leading to a reduced size problem and avoiding potential model singularities. We test the proposed algorithm using three examples of different complex dynamic behavior. In all the case studies the number of iterations and the computational effort required to obtain the optimal solutions is modest and the solutions are relatively easy to find.

Optimization of test and maintenance of ageing components consisting of multiple items and addressing effectiveness

There are many models in the literature that have been proposed in the last decades aimed at assessing the reliability, availability and maintainability (RAM) of safety equipment, many of them with a focus on their use to assess the risk level of a technological system or to search for appropriate design and/or surveillance and maintenance policies in order to assure that an optimum level of RAM of safety systems is kept during all the plant operational life. This paper proposes a new approach for RAM modelling that accounts for equipment ageing and maintenance and testing effectiveness of equipment consisting of multiple items in an integrated manner. This model is then used to perform the simultaneous optimization of testing and maintenance for ageing equipment consisting of multiple items. An example of application is provided, which considers a simplified High Pressure Injection System (HPIS) of a typical Power Water Reactor (PWR). Basically, this system consists of motor driven pumps (MDP) and motor operated valves (MOV), where both types of components consists of two items each. These components present different failure and cause modes and behaviours, and they also undertake complex test and maintenance activities depending on the item involved. The results of the example of application demonstrate that the optimization algorithm provide the best solutions when the optimization problem is formulated and solved considering full flexibility in the implementation of testing and maintenance activities taking part of such an integrated RAM model.

Variable Neighborhood Search for the File Transfer Scheduling Problem

ACM Computing Classification System (1998): I.2.8, G.1.6.

Variable Neighborhood Search for Solving the Capacitated Single Allocation Hub Location Problem

In this paper a Variable Neighborhood Search (VNS) algorithm for solving the Capacitated Single Allocation Hub Location Problem (CSAHLP) is presented. CSAHLP consists of two subproblems; the first is choosing a set of hubs from all nodes in a network, while the other comprises finding the optimal allocation of non-hubs to hubs when a set of hubs is already known. The VNS algorithm was used for the first subproblem, while the CPLEX solver was used for the second. Computational results demonstrate that the proposed algorithm has reached optimal solutions on all 20 test instances for which optimal solutions are known, and this in short computational time.

Parametric CAD model based shape optimization using adjoint functions

Adjoint methods have proven to be an efficient way of calculating the gradient of an objective function with respect to a shape parameter for optimisation, with a computational cost nearly independent of the number of the design variables [1]. The approach in this paper links the adjoint surface sensitivities (gradient of objective function with respect to the surface movement) with the parametric design velocities (movement of the surface due to a CAD parameter perturbation) in order to compute the gradient of the objective function with respect to CAD variables.
For a successful implementation of shape optimization strategies in practical industrial cases, the choice of design variables or parameterisation scheme used for the model to be optimized plays a vital role. Where the goal is to base the optimization on a CAD model the choices are to use a NURBS geometry generated from CAD modelling software, where the position of the NURBS control points are the optimisation variables [2] or to use the feature based CAD model with all of the construction history to preserve the design intent [3]. The main advantage of using the feature based model is that the optimized model produced can be directly used for the downstream applications including manufacturing and process planning.
This paper presents an approach for optimization based on the feature based CAD model, which uses CAD parameters defining the features in the model geometry as the design variables. In order to capture the CAD surface movement with respect to the change in design variable, the “Parametric Design Velocity” is calculated, which is defined as the movement of the CAD model boundary in the normal direction due to a change in the parameter value.
The approach presented here for calculating the design velocities represents an advancement in terms of capability and robustness of that described by Robinson et al. [3]. The process can be easily integrated to most industrial optimisation workflows and is immune to the topology and labelling issues highlighted by other CAD based optimisation processes. It considers every continuous (“real value”) parameter type as an optimisation variable, and it can be adapted to work with any CAD modelling software, as long as it has an API which provides access to the values of the parameters which control the model shape and allows the model geometry to be exported. To calculate the movement of the boundary the methodology employs finite differences on the shape of the 3D CAD models before and after the parameter perturbation. The implementation procedure includes calculating the geometrical movement along a normal direction between two discrete representations of the original and perturbed geometry respectively. Parametric design velocities can then be directly linked with adjoint surface sensitivities to extract the gradients to use in a gradient-based optimization algorithm.
The optimisation of a flow optimisation problem is presented, in which the power dissipation of the flow in an automotive air duct is to be reduced by changing the parameters of the CAD geometry created in CATIA V5. The flow sensitivities are computed with the continuous adjoint method for a laminar and turbulent flow [4] and are combined with the parametric design velocities to compute the cost function gradients. A line-search algorithm is then used to update the design variables and proceed further with optimisation process.

Bayesian Optimisation Algorithm for Nurse Scheduling, Scalable Optimization via Probabilistic Modeling

Our research has shown that schedules can be built mimicking a human scheduler by using a set of rules that involve domain knowledge. This chapter presents a Bayesian Optimization Algorithm (BOA) for the nurse scheduling problem that chooses such suitable scheduling rules from a set for each nurse’s assignment. Based on the idea of using probabilistic models, the BOA builds a Bayesian network for the set of promising solutions and samples these networks to generate new candidate solutions. Computational results from 52 real data instances demonstrate the success of this approach. It is also suggested that the learning mechanism in the proposed algorithm may be suitable for other scheduling problems.

Economic and Environmental Optimization of Ornamental Stone Block Cutting with a 3D Algorithm

This thesis focuses on finding the optimum block cutting dimensions in terms of the environmental and economic factors by using a 3D algorithm for a limestone quarry in Foggia, Italy. The environmental concerns of quarrying operations are mainly: energy consumption, material waste, and pollution. The main economic concerns are the block recovery, the selling prices, and the production costs. Fractures adversely affect the block recovery ratio. With a fracture model, block production can be optimized. In this research, the waste volume produced by quarrying was minimised to increase the recovery ratio and ensure economic benefits. SlabCutOpt is a software developed at DICAM–University of Bologna for block cutting optimization which tests different cutting angles on the x-y-z planes to offer up alternative cutting methods. The program tests several block sizes and outputs the optimal result for each entry. By using SlabCutOpt, ten different block dimensions were analysed, the results indicated the maximum number of non-intersecting blocks for each dimension. After analysing the outputs, the block named number 1 with the dimensions ‘1mx1mx1m’ had the highest recovery ratio as 43% and the total Relative Money Value (RMV) with a value of 22829. Dimension number 1, also had the lowest waste volume, with a value of 3953.25 m3, for the total bench. For cutting the total bench volume of 6932.25m3, the diamond wire cutter had the lowest dust emission values for the block with the dimension ‘2mx2mx2m’, with a value of 24m3. When compared with the Eco-Label standards, block dimensions having surface area values lower than 15m2, were found to fit the natural resource waste criteria of the label, as the threshold required 25% of minimum recovery [1]. Due to the relativity of production costs, together with the Eco-Label threshold, the research recommends the selection of the blocks with a surface area value between 6m2 and 14m2.