The role of artificial intelligence-driven soft sensors in advanced sustainable process industries: a critical review

With the predicted depletion of natural resources and alarming environmental issues, sustainable development has become a popular as well as a much-needed concept in modern process industries. Hence, manufacturers are quite keen on adopting novel process monitoring techniques to enhance product quality and process efficiency while minimizing possible adverse environmental impacts. Hardware sensors are employed in process industries to aid process monitoring and control, but they are associated with many limitations such as disturbances to the process flow, measurement delays, frequent need for maintenance, and high capital costs. As a result, soft sensors have become an attractive alternative for predicting quality-related parameters that are ‘hard-to-measure’ using hardware sensors. Due to their promising features over hardware counterparts, they have been employed across different process industries. This article attempts to explore the state-of-the-art artificial intelligence (Al)-driven soft sensors designed for process industries and their role in achieving the goal of sustainable development. First, a general introduction is given to soft sensors, their applications in different process industries, and their significance in achieving sustainable development goals. AI-based soft sensing algorithms are then introduced. Next, a discussion on how AI-driven soft sensors contribute toward different sustainable manufacturing strategies of process industries is provided. This is followed by a critical review of the most recent state-of-the-art AI-based soft sensors reported in the literature. Here, the use of powerful AI-based algorithms for addressing the limitations of traditional algorithms, that restrict the soft sensor performance is discussed. Finally, the challenges and limitations associated with the current soft sensor design, application, and maintenance aspects are discussed with possible future directions for designing more intelligent and smart soft sensing technologies to cater the future industrial needs

State estimators in soft sensing and sensor fusion for sustainable manufacturing

State estimators, including observers and Bayesian filters, are a class of model-based algorithms for estimating variables in a dynamical system given sensor measurements of related system states. They can be used to derive fast and accurate estimates of system variables which cannot be measured directly (’soft sensing’) or for which only noisy, intermittent, delayed, indirect or unreliable measurements are available, perhaps from multiple sources (’sensor fusion’). In this paper we introduce the concepts and main methods of state estimation and review recent applications in improving the sustainability of manufacturing processes. It is shown that state estimation algorithms can play a key role in manufacturing systems to accurately monitor and control processes to improve efficiencies, lower environmental impact, enhance product quality, improve the feasibility of processing more sustainable raw materials, and ensure safer working environments for humans. We discuss current and emerging trends in using state estimation as a framework for combining physical knowledge with other sources of data for monitoring and control of distributed manufacturing systems

Developing an online predictor to predict product sulfur concentration for HDS unit

Hydrodesulfurization (HDS) is an important process in refining industries. Advanced control system (e.g. model predictive controller) requires on-line measurement of the product sulfur at the reactor outlet. However, most HDS processes do not have a sulfur analyzer at the reactor outlet. In order to predict product sulfur concentration usually a data based sulfur predictor is developed. Performance of data based predictor is usually poor since some of the input parameters (e.g. feed sulfur concentration) are unknown. The objective of this thesis is to overcome these limitations of data based predictors and develop an online product sulfur predictor for HDS unit. In this thesis, a hybrid model is proposed, developed and validated (using industrial data), which could predict product sulfur concentration for online HDS system. The proposed hybrid structure is a combination of a reaction kinetics based HDS reactor model and an empirical model based on support vector regression (SVR). The mechanistic model runs in off-line mode to estimate the feed sulfur concentration while the data based model uses the estimated feed sulfur concentration and other process variables to predict the product sulfur concentration. The predicted sulfur concentration can be compared with the lab measurements or sulfur analyzer located further downstream of the process at the tankage. In case there is a large discrepancy, the predictor goes to a calibration mode and uses the mechanistic model to re-estimate the feed sulfur concentration. The detailed logic for the online prediction is also developed. Finally a Matlab based Graphical User Interface (GUI) has been developed for the hybrid sulfur predictor for easy implementation to any HDS process

Developing an online predictor to predict product sulfur concentration for HDS unit

Hydrodesulfurization (HDS) is an important process in refining industries. Advanced control system (e.g. model predictive controller) requires on-line measurement of the product sulfur at the reactor outlet. However, most HDS processes do not have a sulfur analyzer at the reactor outlet. In order to predict product sulfur concentration usually a data based sulfur predictor is developed. Performance of data based predictor is usually poor since some of the input parameters (e.g. feed sulfur concentration) are unknown. The objective of this thesis is to overcome these limitations of data based predictors and develop an online product sulfur predictor for HDS unit. In this thesis, a hybrid model is proposed, developed and validated (using industrial data), which could predict product sulfur concentration for online HDS system. The proposed hybrid structure is a combination of a reaction kinetics based HDS reactor model and an empirical model based on support vector regression (SVR). The mechanistic model runs in off-line mode to estimate the feed sulfur concentration while the data based model uses the estimated feed sulfur concentration and other process variables to predict the product sulfur concentration. The predicted sulfur concentration can be compared with the lab measurements or sulfur analyzer located further downstream of the process at the tankage. In case there is a large discrepancy, the predictor goes to a calibration mode and uses the mechanistic model to re-estimate the feed sulfur concentration. The detailed logic for the online prediction is also developed. Finally a Matlab based Graphical User Interface (GUI) has been developed for the hybrid sulfur predictor for easy implementation to any HDS process

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

Data-driven modelling and monitoring of industrial processes with applications in nuclear waste vitrification

PhD ThesisProcess models are critical for process monitoring, control, and optimisation. With the increasing amount of process data and advancements in computational hardware, data-driven models are a good alternative to mechanistic models, which often have inaccuracies or are too costly to develop. One problem with data-driven models is the difficulty in ensuring that the models perform well on new data and produce accurate predictions in complex situations, which are frequently encountered in the process industry. Within this context, part of this thesis explores developing better data-driven models through using a latent variable technique, known as slow feature analysis, as a pre-processing step to regression. Slow feature analysis extracts slow varying features that contain underlying trends in the data, which can improve model performance through providing more meaningful information to regression, reducing noise, and reducing dimensionality. Firstly, the effectiveness of combining linear slow feature analysis with a neural network is demonstrated on two industrial case studies of soft sensor development and is compared with conventional techniques, such as neural networks and integration of principal component analysis with a neural network. It is shown that integration of slow feature analysis with neural networks can significantly improve model performance. However, linear slow feature analysis can fail to extract the driving forces behind data in nonlinear situations such as batch processes. Therefore, using kernel slow feature analysis with a neural network is proposed to further enhance process model performance. A numerical example was used to demonstrate the effective extraction of driving forces in a nonlinear case where linear slow feature analysis cannot. Model generalisation performance was improved using the proposed method on both this numerical example, and an industrial penicillin process case study. Dealing with radioactive nuclear waste is an important obstacle in nuclear energy. Sellafield Ltd have a nuclear waste vitrification plant which converts high-level nuclear waste into a more stable, lower volume glass form, which is more appropriate for long term storage in sealed containers. This thesis presents three applications of data-driven modelling to this nuclear waste vitrification process. A predictive model of the pour rate of processed nuclear waste into containers, an early detection system for blockages in the dust scrubber, and a model of the long-term chemical durability of the stored glass waste. These applications use the previously developed slow feature analysis methods, as well as other data-driven techniques such as extreme learning machine and bootstrap aggregation, for enhancing the model performance.Engineering and Physical Sciences Research Council (EPSRC) and Sellafield Lt

Novel strategies for process control based on hybrid semi-parametric mathematical systems

Tese de doutoramento. Engenharia Química. Universidade do Porto. Faculdade de Engenharia. 201