BATCH-TO-BATCH OPTIMAL CONTROL OF BATCH PROCESSES BASED ON RECURSIVELY UPDATED NONLINEAR PARTIAL LEAST SQUARES MODELS

A batch-to-batch optimal control approach for batch processes based on batch-wise updated nonlinear partial least squares (NLPLS) models is presented in this article. To overcome the difficulty in developing mechanistic models for batch/semi-batch processes, a NLPLS model is developed to predict the final product quality from the batch control profile. Mismatch between the NLPLS model and the actual plant often exists due to low-quality training data or variations in process operating conditions. Thus, the optimal control profile calculated from a fixed NLPLS model may not be optimal when applied to the actual plant. To address this problem, a recursive nonlinear PLS (RNPLS) algorithm is proposed to update the NLPLS model using the information newly obtained after each batch run. The proposed algorithm is computationally efficient in that it updates the model using the current model parameters and data from the current batch. Then the new optimal control profile is recalculated from the updated model and implemented on the next batch. The procedure is repeated from batch to batch and, usually after several batches, the control profile will converge to the optimal one. The effectiveness of this method is demonstrated on a simulated batch polymerization process. Simulation results show that the proposed method achieves good performance, and the optimization with the proposed NLPLS model is more effective and stable than that with a batch-wise updated linear PLS model.     

基于KPLS模型的间歇过程产品质量控制

针对间歇过程所具有的非线性特性,提出了一种基于核偏最小二乘(KPLS)模型的最终产品质量控制策略。利用初始条件、批次展开后的过程数据以及最终产品质量建立了间歇过程的KPLS模型;采用基于主成分分析(PCA)映射的预估方法对未知的过程数据进行补充,实现了最终产品质量的在线预测。为了解决最终产品质量的控制,利用T2统计量确定KPLS模型的适用范围,并作为约束引入产品质量控制问题,提高控制策略的可行性;采用粒子群优化(PSO)算法实现了优化问题的高效求解。仿真结果表明,与基于偏最小二乘(PLS)模型的控制策略相比,所提出的方法具有更高的预测精度,且能有效解决产品质量控制中出现的各种问题。     

Local dynamic partial least squares approaches for the modelling of batch processes

The application of multivariate statistical projection based techniques has been recognized as one approach to contributing to an increased understanding of process behaviour. The key methodologies have included multi‐way principal component analysis (PCA), multi‐way partial least squares (PLS) and batch observation level analysis. Batch processes typically exhibit nonlinear, time variant behaviour and these characteristics challenge the aforementioned techniques. To address these challenges, dynamic PLS has been proposed to capture the process dynamics. Likewise approaches to removing the process nonlinearities have included the removal of the mean trajectory and the application of nonlinear PLS. An alternative approach is described whereby the batch trajectories are sub‐divided into operating regions with a linear/linear dynamic model being fitted to each region. These individual models are spliced together to provide an overall nonlinear global model. Such a structure provides the potential for an alternative approach to batch process performance monitoring. In the paper a number of techniques are considered for developing the local model, including multi‐way PLS and dynamic multi‐way PLS. Utilising the most promising set of results from a simulation study of a batch process, the local model comprising individual linear dynamic PLS models was benchmarked against global nonlinear dynamic PLS using data from an industrial batch fermentation process. In conclusion the results for the local operating region techniques were comparable to the global model in terms of the residual sum of squares but for the global model structure was evident in the residuals. Consequently, the local modelling approach is statistically more robust.     

基于信息增量矩阵的多阶段间歇过程质量预测

针对间歇过程划分阶段方法很少考虑过程的时序性和动态特性,易将时间上不连续但具有相似特征的样本划分到同一阶段,影响建模精确性的问题,提出一种基于信息增量矩阵-偏最小二乘（information increment matrix-partial least square,ⅡMPLS）的多阶段间歇过程质量预测方法。将历史三维数据沿批次方向展开为二维数据,将其切分成融合质量变量的扩展时间片,依据扩展时间片的信息增量使用滑动窗划分阶段,对各个阶段内数据建立PLS模型进行质量预测。该方法考虑变量之间的相关关系沿采样时刻的变化,利用信息增量捕获系统的动态特性并时序地划分阶段。青霉素仿真平台与大肠杆菌实际生产数据验证了方法的可行性和有效性。     

Fuzzy multi‐model based adaptive predictive control and its application to thermoplastic injection molding

Many chemical processes are inherently nonlinear. A single linear model is ineffective for these processes. Several local linear models may be developed for different operating conditions. A combination of these local models, through a fuzzy logic representation, results in an overall model for a wider operation range. In this paper, on‐line improvements and a fuzzy multi‐model have been proposed for predictive control implementation. Firstly, assuming that the premises of the fuzzy rules keep their original structures, the linear parameters in the rule consequents are on‐line updated by a weighted recursive least squares algorithm at each sample interval. Secondly, a batch learning algorithm is proposed to tune the fuzzy rule premises using a competitive learning algorithm. The effectiveness of the proposed improvements is demonstrated with experimental applications to the filling velocity control of thermoplastic injection molding     

Application of fuzzy partial least squares (FPLS) modeling nonlinear biological processes

We applied a nonlinear fuzzy partial least squares (FPLS) algorithm for modeling a biological wastewater treatment plant. FPLS embeds the Takagi-Sugeno-Kang (TSK) fuzzy model into the regression framework of the partial least squares (PLS) method, in which FPLS utilizes a TSK fuzzy model for nonlinear characteristics of the PLS inner regression. Using this approach, the interpretability of the TSK fuzzy model overcomes some of the handicaps of previous nonlinear PLS (NLPLS) algorithms. As a result, the FPLS model gives a more favorable modeling environment in which the knowledge of experts can be easily applied. Results from applications show that FPLS has the ability to model the nonlinear process and multiple operating conditions and is able to identify various operating regions in a simulation benchmark of biological process as well as in a full-scale wastewater treatment process. The result shows that it has the ability to model the nonlinear process and handle multiple operating conditions and is able to predict the key components of nonlinear biological processes.     

基于操作域划分的聚丙烯熔融指数软测量

讨论了如何建立聚丙烯熔融指数软测量模型及模型更新问题.首先根据聚丙烯反应器中的氢气浓度划分操作域,对于每个操作域,用一种新的非线性部分最小二乘方法建立熔融指数软测量子模型,然后将各个子模型进行组合,建立全局模型.为了使模型适应过程的变化,提出一种递推非线性部分最小二乘算法,利用新获得的数据对原模型进行更新.同时基于滑动窗方法,提出模型在线估计和更新策略.实际应用结果表明,模型取得了很好的估计性能,计算精度满足工业生产的实际要求.     

Analyzing the occurrence of foaming in batch fermentation processes using multiway partial least square approaches

This article presents an application of multiway partial least squares (MPLS) methods to develop interpretative correlation models to monitor the foaming occurrence and improve batch fermentation. We choose the exhaust differential pressure as a quality variable to quantify the foaming occurrence and consider three-dimensional datasets of different batches, process variables, and measurements. We integrate batch-wise unfolding (BWU) and observation-wise unfolding (OWU) of plant datasets with standard, dynamic, and kernel PLS methods. We find that dynamic PLS (DPLS) with OWU and time-lagged quality variables to be the most efficient, accurate, and easy to implement. The BWU approach is useful for analyzing the differences between batches and identifying abnormalities and outliers, while the OWU quantifies the variation within a given batch. With OWU, the DPLS method with one unit of time lag in the quality variable is the most effective, accurate, and easy to implement. With both BWU and OWU, we identify the quantitative effects of process variables on the quality variable and providence guidance to improve fermentation performance.     

Batch-to-batch optimal control of a batch polymerisation process based on stacked neural network models

A neural network based batch-to-batch optimal control strategy is proposed in this paper. In order to overcome the difficulty in developing mechanistic models for batch processes, stacked neural network models are developed from process operational data. Stacked neural networks have enhanced model generalisation capability and can also provide model prediction confidence bounds. However, the optimal control policy calculated based on a neural network model may not be optimal when applied to the true process due to model plant mismatches and the presence of unknown disturbances. Due to the repetitive nature of batch processes, it is possible to improve the operation of the next batch using the information of the current and previous batch runs. A batch-to-batch optimal control strategy based on the linearisation of stacked neural network model is proposed in this paper. Applications to a simulated batch polymerisation reactor demonstrate that the proposed method can improve process performance from batch to batch in the presence of model plant mismatches and unknown disturbances.     

A Recursive Nonlinear PLS Algorithm for Adaptive Nonlinear Process Modeling

Partial least squares (PLS) regression has been shown to be a powerful multivariate linear regression method for problems where the data are noisy and highly correlated. However, in many practical situations, the processes being modeled exhibit nonlinear behavior, which cannot be reliably modeled by linear regression methods. Furthermore, the processes often experience time‐varying changes. In this paper, a recursive nonlinear PLS (RNPLS) algorithm is proposed to deal with this problem. First, a nonlinear PLS (NLPLS) model is built by performing PLS regression on the extended input matrix and the output matrix, where the extension of the input matrix includes the outputs of the hidden nodes of an RBF network and a constant column with all elements being one. When new data cannot be described by the old model in the sense that the model performance on a moving window of data is not satisfactory, the recursive algorithm is then used to modify the structure and parameters of the model to adapt process changes. Applications of this RNPLS algorithm to a simulated pH neutralization process and an industrial propylene polymerization process are presented and the results demonstrate that this algorithm adapts the process changes effectively and gives satisfactory prediction results.     

On-line batch process monitoring using hierarchical kernel partial least squares

In this paper, new monitoring approach, hierarchical kernel partial least squares (HKPLS), is proposed for the batch processes. The advantages of HKPLS are: (1) HKPLS gives more nonlinear information compared to hierarchical partial least squares (HPLS) and multi-way PLS (MPLS) and (2) a new batch process monitoring using HKPLS does not need to estimate or fill in the unknown part of the process variable trajectory deviation from the current time until the end. The proposed method is applied to the penicillin process and continuous annealing process and is compared with MPLS and HPLS monitoring results. Applications of the proposed approach indicate that HKPLS effectively capture the nonlinearities in the process variables and show superior fault detectability.     

Optimal selection of time resolution for batch data analysis. Part I: Predictive modeling

Soft sensors based on multiway partial least squares (MW‐PLS) are often used to estimate, in useful time, the end quality of batch processes, due to their ability to deal with high dimensional and noisy data. However, PLS and its variants only bring parsimony to the variables' mode. The time mode, which is the main source of complexity in MW‐PLS, remains unchanged. Parsimony on the time dimension can be achieved by manipulating the variables' resolution or granularity. In this article, we address the optimal selection of resolution for each individual batch variable, as an additional degree of freedom for maximizing the predictive performance of industrial soft sensors. The proposed methodology will conduct, simultaneously, the optimal selection of (1) variables, (2) resolutions, and (3) stages. At the end, a multiresolution PLS model (MR‐PLS) will be obtained, that optimally predicts the batch‐end quality within the class of all MW‐PLS approaches. © 2018 American Institute of Chemical Engineers AIChE J, 64: 3923–3933, 2018     

间歇过程的批间自优化控制

针对间歇过程的实时优化问题,提出了一种基于最优性条件近似法的批间自优化控制策略。首先获取标称工作点的最优输入轨迹形态,将其参数化为少量决策变量,简化问题复杂度。然后根据参数化后的决策变量得到批间优化的最优性条件,并建立批次终端可测变量和最优性条件之间的回归模型,将其作为被控变量进行批间跟踪控制。对一个间歇反应器进行了仿真研究,结果表明方法能有效实现间歇过程的批间自优化控制。     

Batch-to-batch iterative learning control and within-batch on-line control for end-point qualities using MPLS-based dEWMA

A new feedback batch control strategy based on multiway partial least squares (MPLS) model and dEWMA (double exponentially weighted moving average) control for the end-point product quality system is proposed in this paper. It combines batch-to-batch (BtB) control with on-line tracking control within a batch. In the BtB operation, MPLS-based dEWMA control is done by applying feedback from the final output quality of the batch process. It utilizes the information from the current batch to improve quality for the next batch. The advantage of MPLS is to extract the strongest relationship between the input and the output variables in the reduced space of the latent variables model rather than in the real space of the highly dimensional manipulated variable trajectories. It is particularly useful for inherent noise suppression. Then the optimal manipulated variable trajectories in the score space without decoupler design can be directly and individually applied to each control loop under the MPLS modeling structure. Then the dEWMA controller can be applied to each SISO control loop respectively to address the model errors gradually reduced from model-plant mismatches and unmeasured disturbances. In on-line tracking control within a batch, the MPLS-based dEWMA control strategy is developed to explore the possible adjustments of the future input trajectories. It fixes up the disturbances just in time instead of until the next batch run and maintains the product specification when this batch is finished. To demonstrate the potential applications of the proposed design method, a typical batch reactor with processes of different dynamics is applied. Comparisons between MPLS-based dEWMA BtB control and MPLS-based dEWMA within-batch control are also made.     

Integrated batch‐to‐batch and nonlinear model predictive control for polymorphic transformation in pharmaceutical crystallization

Polymorphism, a phenomenon in which a substance can have more than one crystal form, is a frequently encountered phenomenon in pharmaceutical compounds. Different polymorphs can have very different physical properties such as crystal shape, solubility, hardness, color, melting point, and chemical reactivity, so that it is important to ensure consistent production of the desired polymorph. In this study, an integrated batch‐to‐batch and nonlinear model predictive control (B2B‐NMPC) strategy based on a hybrid model is developed for the polymorphic transformation of L ‐glutamic acid from the metastable α‐form to the stable β‐form crystals. The hybrid model comprising of a nominal first‐principles model and a correction factor based on an updated PLS model is used to predict the process variables and final product quality. At each sampling instance during a batch, extended predictive self‐adaptive control (EPSAC) is employed as a NMPC technique to calculate the control action by using the current hybrid model as a predictor. At the end of the batch, the PLS model is updated by utilizing the measurements from the batch and the above procedure is repeated to obtain new control actions for the next batch. In a simulation study using a previously reported model for a polymorphic crystallization with experimentally determined parameters, the proposed B2B‐NMPC control strategy produces better performance, where it satisfies all the state constraints and produces faster and smoother convergence, than the standard batch‐to‐batch strategy. © 2010 American Institute of Chemical Engineers AIChE J, 2011     

改进k-means聚类算法多模型建模的一种新的评价函数

pH中和过程的建模与控制一直是过程控制领域的难题。针对pH过程,提出了一种基于新性能评价函数的k-means聚类算法的多模型建模方法。针对k-means聚类算法中普遍存在的k值已知以及对初始点依赖严重的问题,在k-means聚类算法的基础进行改进,并且引入一个自定义的聚类效果评价函数确定聚类个数,然后采用偏最小二乘PLS算法建立相应的局部线性化模型。通过仿真研究,利用本文算法建立的多模型,获得到了良好的跟踪效果,验证了该改进算法的可行性和有效性。     

Product quality improvement of batch crystallizers by a batch-to-batch optimization and nonlinear control approach

Batch crystallization is one of the widely used processes for separation and purification in many chemical industries. Dynamic optimization of such a process has recently shown the improvement of final product quality in term of a crystal size distribution (CSD) by determining an optimal operating policy. However, under the presence of unknown or uncertain model parameters, the desired product quality may not be achieved when the calculated optimal control profile is implemented. In this study, a batch-to-batch optimization strategy is proposed for the estimation of uncertain kinetic parameters in the batch crystallization process, choosing the seeded batch crystallizer of potassium sulfate as a case study. The information of the CSD obtained at the end of batch run is employed in such an optimization-based estimation. The updated kinetic parameters are used to modify an optimal operating temperature policy of a crystallizer for a subsequent operation. This optimal temperature policy is then employed as new reference for a temperature controller which is based on a generic model control algorithm to control the crystallizer in a new batch run.     

Multi-loop nonlinear internal model controller design based on a dynamic fuzzy partial least squares model

In this paper, a dynamic fuzzy partial least squares (DFPLS) modeling method is proposed. Under such framework, the multiple input multiple output (MIMO) nonlinear system can be automatically decomposed into several univariate subsystems in PLS latent space. Within each latent space, a dynamic fuzzy method is introduced to model the inherent dynamic and nonlinear feature of the physical system. The new modeling method combines the decoupling characteristic of PLS framework and the ability of dynamic nonlinear modeling in the fuzzy method. Based on the DFPLS model, a multi-loop nonlinear internal model control (IMC) strategy is proposed. A pH neutralization process and a methylcyclohexane (MCH) distillation column from Aspen Dynamic Module are presented to demonstrate the effectiveness of the proposed modeling method and control strategy.     

A Bayesian framework for real‐time identification of locally weighted partial least squares

Just‐in‐time (JIT) learning methods are widely used in dealing with nonlinear and multimode behavior of industrial processes. The locally weighted partial least squares (LW‐PLS) method is among the most commonly used JIT methods. The performance of LW‐PLS model depends on parameters of the similarity function as well as the structure and parameters of the local PLS model. However, the regular LW‐PLS algorithm assumes that the parameters of the similarity function and structure of the local PLS model are known and do not fully utilize available knowledge to estimate the model parameters. A Bayesian framework is proposed to provide a systematic way for real‐time parameterization of the similarity function, selection of the local PLS model structure, and estimation of the corresponding model parameters. By applying the Bayes' theorem, the proposed framework incorporates the prior knowledge into the identification process and takes into account the different contribution of measurement noises. Furthermore, Bayesian model structure selection can automatically deal with the model complexity problem to avoid the overfitting issue. The advantages of this new approach are highlighted through two case studies based on the real‐world near infrared data. © 2014 American Institute of Chemical Engineers AIChE J, 61: 518–529, 2015     

Optimization and nonlinear control of a batch crystallization process

Crystallization process has been widely used for separation in many chemical industries due to its capability to provide high purity product. To obtain the desired quality of crystal product, an optimal cooling control strategy is studied in the present work. Within the proposed control strategy, a dynamic optimization is first preformed with the objective to obtain the optimal cooling temperature policy of a batch crystallizer, maximizing the total volume of seeded crystals. Two different optimization problems are formulated and solved by using a sequential optimization approach. Owing to the complex and nonlinear behavior of the batch crystallizer, the nonlinear control strategy which is based on a generic model control (GMC) algorithm is implemented to track the resulting optimal temperature profile. The optimization integrated with nonlinear control strategy is demonstrated on a seeded batch crystallizer for the production of potassium sulfate.