Multi-tier framework for the inferential measurement and data-driven modeling

A framework for the inferential measurement and data-driven modeling has been proposed and assessed in several real-world application domains. The architecture of the framework has been structured in multiple tiers to facilitate extensibility and the integration of new components. Each of the proposed four tiers has been assessed in an uncoupled way to verify their suitability. The first tier, dealing with exploratory data analysis, has been assessed with the characterization of the chemical space related to the biodegradation of organic chemicals. This analysis has established relationships between physicochemical variables and biodegradation rates that have been used for model development. At the preprocessing level, a novel method for feature selection based on dissimilarity measures between Self-Organizing maps (SOM) has been developed and assessed. The proposed method selected more features than others published in literature but leads to models with improved predictive power. Single and multiple data imputation techniques based on the SOM have also been used to recover missing data in a Waste Water Treatment Plant benchmark. A new dynamic method to adjust the centers and widths of in Radial basis Function networks has been proposed to predict water quality. The proposed method outperformed other neural networks. The proposed modeling components have also been assessed in the development of prediction and classification models for biodegradation rates in different media. The results obtained proved the suitability of this approach to develop data-driven models when the complex dynamics of the process prevents the formulation of mechanistic models. The use of rule generation algorithms and Bayesian dependency models has been preliminary screened to provide the framework with interpretation capabilities. Preliminary results obtained from the classification of Modes of Toxic Action (MOA) indicate that this could be a promising approach to use MOAs as proxy indicators of human health effects of chemicals.Finally, the complete framework has been applied to three different modeling scenarios. A virtual sensor system, capable of inferring product quality indices from primary process variables has been developed and assessed. The system was integrated with the control system in a real chemical plant outperforming multi-linear correlation models usually adopted by chemical manufacturers. A model to predict carcinogenicity from molecular structure for a set of aromatic compounds has been developed and tested. Results obtained after the application of the SOM-dissimilarity feature selection method yielded better results than models published in the literature. Finally, the framework has been used to facilitate a new approach for environmental modeling and risk management within geographical information systems (GIS). The SOM has been successfully used to characterize exposure scenarios and to provide estimations of missing data through geographic interpolation. The combination of SOM and Gaussian Mixture models facilitated the formulation of a new probabilistic risk assessment approach.Aquesta tesi proposa i avalua en diverses aplicacions reals, un marc general de treball per al desenvolupament de sistemes de mesurament inferencial i de modelat basats en dades. L'arquitectura d'aquest marc de treball s'organitza en diverses capes que faciliten la seva extensibilitat així com la integració de nous components. Cadascun dels quatre nivells en que s'estructura la proposta de marc de treball ha estat avaluat de forma independent per a verificar la seva funcionalitat. El primer que nivell s'ocupa de l'anàlisi exploratòria de dades ha esta avaluat a partir de la caracterització de l'espai químic corresponent a la biodegradació de certs compostos orgànics. Fruit d'aquest anàlisi s'han establert relacions entre diverses variables físico-químiques que han estat emprades posteriorment per al desenvolupament de models de biodegradació. A nivell del preprocés de les dades s'ha desenvolupat i avaluat una nova metodologia per a la selecció de variables basada en l'ús del Mapes Autoorganitzats (SOM). Tot i que el mètode proposat selecciona, en general, un major nombre de variables que altres mètodes proposats a la literatura, els models resultants mostren una millor capacitat predictiva. S'han avaluat també tot un conjunt de tècniques d'imputació de dades basades en el SOM amb un conjunt de dades estàndard corresponent als paràmetres d'operació d'una planta de tractament d'aigües residuals. Es proposa i avalua en un problema de predicció de qualitat en aigua un nou model dinàmic per a ajustar el centre i la dispersió en xarxes de funcions de base radial. El mètode proposat millora els resultats obtinguts amb altres arquitectures neuronals. Els components de modelat proposat s'han aplicat també al desenvolupament de models predictius i de classificació de les velocitats de biodegradació de compostos orgànics en diferents medis. Els resultats obtinguts demostren la viabilitat d'aquesta aproximació per a desenvolupar models basats en dades en aquells casos en els que la complexitat de dinàmica del procés impedeix formular models mecanicistes. S'ha dut a terme un estudi preliminar de l'ús de algorismes de generació de regles i de grafs de dependència bayesiana per a introduir una nova capa que faciliti la interpretació dels models. Els resultats preliminars obtinguts a partir de la classificació dels Modes d'acció Tòxica (MOA) apunten a que l'ús dels MOA com a indicadors intermediaris dels efectes dels compostos químics en la salut és una aproximació factible.Finalment, el marc de treball proposat s'ha aplicat en tres escenaris de modelat diferents. En primer lloc, s'ha desenvolupat i avaluat un sensor virtual capaç d'inferir índexs de qualitat a partir de variables primàries de procés. El sensor resultant ha estat implementat en una planta química real millorant els resultats de les correlacions multilineals emprades habitualment. S'ha desenvolupat i avaluat un model per a predir els efectes carcinògens d'un grup de compostos aromàtics a partir de la seva estructura molecular. Els resultats obtinguts desprès d'aplicar el mètode de selecció de variables basat en el SOM milloren els resultats prèviament publicats. Aquest marc de treball s'ha usat també per a proporcionar una nova aproximació al modelat ambiental i l'anàlisi de risc amb sistemes d'informació geogràfica (GIS). S'ha usat el SOM per a caracteritzar escenaris d'exposició i per a desenvolupar un nou mètode d'interpolació geogràfica. La combinació del SOM amb els models de mescla de gaussianes dona una nova formulació al problema de l'anàlisi de risc des d'un punt de vista probabilístic

Development of a sustainable groundwater management strategy and sequential compliance monitoring to control saltwater intrusion in coastal aquifers

The coastal areas of the world are characterized by high population densities, an abundance of food, and increased economic activities. These increasing human settlements, subsequent increases in agricultural developments and economic activities demand an increasing amount quantity of freshwater supplies to different sectors. Groundwater in coastal aquifers is one of the most important sources of freshwater supplies. Over exploitation of this coastal groundwater resource results in seawater intrusion and subsequent deterioration of groundwater quality in coastal aquifers. In addition, climate change induced sea level rise, in combination with the effect of excessive groundwater extraction, can accelerate the seawater intrusion. Adequate supply of good quality water to different sectors in coastal areas can be ensured by adoption of a proper management strategy for groundwater extraction. Optimal use of the coastal groundwater resource is one of the best management options, which can be achieved by employing a properly developed optimal groundwater extraction strategy. Coupled simulation-optimization (S-O) approaches are essential tools to obtain the optimal groundwater extraction patterns. This study proposes approaches for developing multiple objective management of coastal aquifers with the aid of barrier extraction wells as hydraulic control measure of saltwater intrusion in multilayered coastal aquifer systems. Therefore, two conflicting objectives of management policy are considered in this research, i.e. maximizing total groundwater extraction for advantageous purposes, and minimizing the total amount of water abstraction from barrier extraction wells. The study also proposes an adaptive management strategy for coastal aquifers by developing a three-dimensional (3-D) monitoring network design. The performance of the proposed methodologies is evaluated by using both an illustrative multilayered coastal aquifer system and a real life coastal aquifer study area. Coupled S-O approach is used as the basic tool to develop a saltwater intrusion management model to obtain the optimal groundwater extraction rates from a combination of feasible solutions on the Pareto optimal front. Simulation of saltwater intrusion processes requires solution of density dependent coupled flow and solute transport numerical simulation models that are computationally intensive. Therefore, computational efficiency in the coupled S-O approach is achieved by using an approximate emulator of the accompanying physical processes of coastal aquifers. These emulators, often known as surrogate models or meta-models, can replace the computationally intensive numerical simulation model in a coupled S-O approach for achieving computational efficiency. A number of meta-models have been developed and compared in this study for integration with the optimization algorithm in order to develop saltwater intrusion management model. Fuzzy Inference System (FIS), Adaptive Neuro Fuzzy Inference System (ANFIS), Multivariate Adaptive Regression Spline (MARS), and Gaussian Process Regression (GPR) based meta-models are developed in the present study for approximating coastal aquifer responses to groundwater extraction. Properly trained and tested meta-models are integrated with a Controlled Elitist Multiple Objective Genetic Algorithm (CEMOGA) within a coupled S-O approach. In each iteration of the optimization algorithm, the meta-models are used to compute the corresponding salinity concentrations for a set of candidate pumping patterns generated by the optimization algorithm. Upon convergence, the non-dominated global optimal solutions are obtained as the Pareto optimal front, which represents a trade-off between the two conflicting objectives of the pumping management problem. It is observed from the solutions of the meta-model based coupled S-O approach that the considered meta-models are capable of producing a Pareto optimal set of solutions quite accurately. However, each meta-modelling approach has distinct advantages over the others when utilized within the integrated S-O approach. Uncertainties in estimating complex flow and solute transport processes in coastal aquifers demand incorporation of the uncertainties related to some of the model parameters. Multidimensional heterogeneity of aquifer properties such as hydraulic conductivity, compressibility, and bulk density are considered as major sources of uncertainty in groundwater modelling system. Other sources of uncertainty are associated with spatial and temporal variability of hydrologic as well as human interventions, e.g. aquifer recharge and transient groundwater extraction patterns. Different realizations of these uncertain model parameters are obtained from different statistical distributions. FIS based meta-models are advanced to a Genetic Algorithm (GA) tuned hybrid FIS model (GA-FIS), to emulate physical processes of coastal aquifers and to evaluate responses of the coastal aquifers to groundwater extraction under groundwater parameter uncertainty. GA is used to tune the FIS parameters in order to obtain the optimal FIS structure. The GA-FIS models thus obtained are linked externally to the CEMOGA in order to derive an optimal pumping management strategy using the coupled S-O approach. The evaluation results show that the proposed saltwater intrusion management model is able to derive reliable optimal groundwater extraction strategies to control saltwater intrusion for the illustrative multilayered coastal aquifer system. The optimal management strategies obtained as solutions of GA-FIS based management models are shown to be reliable and accurate within the specified ranges of values for different realizations of uncertain groundwater parameters. One of the major concerns of the meta-model based integrated S-O approach is the uncertainty associated with the meta-model predictions. These prediction uncertainties, if not addressed properly, may propagate to the optimization procedures, and may deteriorate the optimality of the solutions. A standalone meta-model, when used within an optimal management model, may result in the optimization routine producing actually suboptimal solutions that may undermine the optimality of the groundwater extraction strategies. Therefore, this study proposes an ensemble approach to address the prediction uncertainties of meta-models. Ensemble is an approach to assimilate multiple similar or different algorithms or base learners (emulators). The basic idea of ensemble lies in developing a more reliable and robust prediction tool that incorporates each individual emulator's unique characteristic in order to predict future scenarios. Each individual member of the ensemble contains different input -output mapping functions. Based on their own mapping functions, these individual emulators provide varied predictions on the response variable. Therefore, the combined prediction of the ensemble is likely to be less biased and more robust, reliable, and accurate than that of any of the individual members of the ensemble. Performance of the ensemble meta-models is evaluated using an illustrative coastal aquifer study area. The results indicate that the meta-model based ensemble modelling approach is able to provide reliable solutions for a multilayered coastal aquifer management problem. Relative sea level rise, providing an additional saline water head at the seaside, has a significant impact on an increase in the salinization process of the coastal aquifers. Although excessive groundwater withdrawal is considered as the major cause of saltwater intrusion, relative sea level rise, in combination with the effect of excessive groundwater pumping, can exacerbate the already vulnerable coastal aquifers. This study incorporates the effects of relative sea level rise on the optimized groundwater extraction values for the specified management period. Variation of water concentrations in the tidal river and seasonal fluctuation of river water stage are also incorporated. Three meta-models are developed from the solution results of the numerical simulation model that simulates the coupled flow and solute transport processes in a coastal aquifer system. The results reveal that the proposed meta-models are capable of predicting density dependent coupled flow and solute transport patterns quite accurately. Based on the comparison results, the best meta-model is selected as a computationally cheap substitute of the simulation model in the coupled S-O based saltwater intrusion management model. The performance of the proposed methodology is evaluated for an illustrative multilayered coastal aquifer system in which the effect of climate change induced sea level rise is incorporated for the specified management period. The results show that the proposed saltwater intrusion management model provides acceptable, accurate, and reliable solutions while significantly improving computational efficiency in the coupled S-O methodology. The success of the developed management strategy largely depends on how accurately the prescribed management policy is implemented in real life situations. The actual implementation of a prescribed management strategy often differs from the prescribed planned strategy due to various uncertainties in predicting the consequences, as well as practical constraints, including noncompliance with the prescribed strategy. This results in actual consequences of a management strategy differing from the intended results. To bring the management consequences closer to the intended results, adaptive management strategies can be sequentially modified at different stages of the management horizon using feedback measurements from a deigned monitoring network. This feedback information can be the actual spatial and temporal concentrations resulting from the implementation of actual management strategy. Therefore, field-scale compliance of the developed coastal aquifer management strategy is a crucial aspect of an optimally designed groundwater extraction policy. A 3-D compliance monitoring network design methodology is proposed in this study in order to develop an adaptive and sequentially modified management policy, which aims to improve optimal and justifiable use of groundwater resources in coastal aquifers. In the first step, an ensemble meta-model based multiple objective prescriptive model is developed using a coupled S-O approach in order to derive a set of Pareto optimal groundwater extraction strategies. Prediction uncertainty of meta-models is addressed by utilizing a weighted average ensemble using Set Pair Analysis. In the second step, a monitoring network is designed for evaluating the compliance of the implemented strategies with the prescribed management goals due to possible uncertainties associated with field-scale application of the proposed management policy. Optimal monitoring locations are obtained by maximizing Shannon's entropy between the saltwater concentrations at the selected potential locations. Performance of the proposed 3-D sequential compliance monitoring network design is assessed for an illustrative multilayered coastal aquifer study area. The performance evaluations show that sequential improvements of optimal management strategy are possible by utilizing saltwater concentrations measurements at the proposed optimal compliance monitoring locations. The integrated S-O approach is used to develop a saltwater intrusion management model for a real world coastal aquifer system in the Barguna district of southern Bangladesh. The aquifer processes are simulated by using a 3-D finite element based combined flow and solute transport numerical code. The modelling and management of seawater intrusion processes are performed based on very limited hydrogeological data. The model is calibrated with respect to hydraulic heads for a period of five years from April 2010 to April 2014. The calibrated model is validated for the next three-year period from April 2015 to April 2017. The calibrated and partially validated model is then used within the integrated S-O approach to develop optimal groundwater abstraction patterns to control saltwater intrusion in the study area. Computational efficiency of the management model is achieved by using a MARS based meta-model approximately emulating the combined flow and solute transport processes of the study area. This limited evaluation demonstrates that a planned transient groundwater abstraction strategy, acquired as solution results of a meta-model based integrated S-O approach, is a useful management strategy for optimized water abstraction and saltwater intrusion control. This study shows the capability of the MARS meta-model based integrated S-O approach to solve real-life complex management problems in an efficient manner

A strategy for short-term load forecasting in Ireland

Electric utilities require short-term forecasts of electricity demand (load) in order to schedule generating plant up to several days ahead on an hourly basis. Errors in the forecasts may lead to generation plant operation that is not required or sub-optimal scheduling of generation plants. In addition, with the introduction of the Electricity Regulation Act 1999, a deregulated market structure has been introduced, adding increased impetus to reducing forecast error and the associated costs. This thesis presents a strategy for reducing costs from electrical demand forecast error using models designed specifically for the Irish system. The differences in short-term load forecasting models are examined under three independent categories: how the data is segmented prior to modelling, the modelling technique and the approach taken to minimise the effect of weather forecast errors present in weather inputs to the load forecasting models. A novel approach is presented to determine whether the data should be segmented by hour of the day prior to modelling. Several segmentation strategies are analysed and the one appropriate for Irish data identified. Furthermore, both linear and nonlinear techniques are compared with a view to evaluating the optimal model type. The effect of weather forecast errors on load forecasting models, though significant, has largely been ignored in the literature. Thus, the underlying issues are examined and a novel method is presented which minimises the effect of weather forecast errors

Using rule extraction to improve the comprehensibility of predictive models.

Whereas newer machine learning techniques, like artifficial neural net-works and support vector machines, have shown superior performance in various benchmarking studies, the application of these techniques remains largely restricted to research environments. A more widespread adoption of these techniques is foiled by their lack of explanation capability which is required in some application areas, like medical diagnosis or credit scoring. To overcome this restriction, various algorithms have been proposed to extract a meaningful description of the underlying `blackbox' models. These algorithms' dual goal is to mimic the behavior of the black box as closely as possible while at the same time they have to ensure that the extracted description is maximally comprehensible. In this research report, we first develop a formal definition of`rule extraction and comment on the inherent trade-off between accuracy and comprehensibility. Afterwards, we develop a taxonomy by which rule extraction algorithms can be classiffied and discuss some criteria by which these algorithms can be evaluated. Finally, an in-depth review of the most important algorithms is given.This report is concluded by pointing out some general shortcomings of existing techniques and opportunities for future research.Models; Model; Algorithms; Criteria; Opportunities; Research; Learning; Neural networks; Networks; Performance; Benchmarking; Studies; Area; Credit; Credit scoring; Behavior; Time;

Application of Stationary Wavelet Support Vector Machines for the Prediction of Economic Recessions

This paper examines the efficiency of various approaches on the classification and prediction of economic expansion and recession periods in United Kingdom. Four approaches are applied. The first is discrete choice models using Logit and Probit regressions, while the second approach is a Markov Switching Regime (MSR) Model with Time-Varying Transition Probabilities. The third approach refers on Support Vector Machines (SVM), while the fourth approach proposed in this study is a Stationary Wavelet SVM modelling. The findings show that SW-SVM and MSR present the best forecasting performance, in the out-of sample period. In addition, the forecasts for period 2012-2015 are provided using all approaches

Probabilistic and artificial intelligence modelling of drought and agricultural crop yield in Pakistan

Pakistan is a drought-prone, agricultural nation with hydro-meteorological imbalances that increase the scarcity of water resources, thus, constraining water availability and leading major risks to the agricultural productivity sector and food security. Rainfall and drought are imperative matters of consideration, both for hydrological and agricultural applications. The aim of this doctoral thesis is to advance new knowledge in designing hybridized probabilistic and artificial intelligence forecasts models for rainfall, drought and crop yield within the agricultural hubs in Pakistan. The choice of these study regions is a strategic decision, to focus on precision agriculture given the importance of rainfall and drought events on agricultural crops in socioeconomic activities of Pakistan. The outcomes of this PhD contribute to efficient modelling of seasonal rainfall, drought and crop yield to assist farmers and other stakeholders to promote more strategic decisions for better management of climate risk for agriculturalreliant nations