基于主元相似度的间歇过程操作曲线递推优化

针对一类较长周期的间歇过程操作优化问题,提出了一种基于正常运行批次的数据驱动型操作曲线递推优化方法。首先采用分段离散化方法将原非线性优化问题转化为线性优化问题,再利用主元分析对离散化后的高维时段变量进行降维处理,然后在降维后的主元平面中,基于时段变量与最终产品指标间的余弦相似度,实现对原操作曲线的摄动优化。考虑到时段变量方差和相似度随批次会发生变化,建立了递推算法以实现操作曲线的递推更新。最后将该方法应用于某化工产品的间歇结晶过程中,结果验证了所提方法的有效性。     

基于正交余弦相似度的间歇过程操作曲线优化

针对间歇过程的操作曲线优化问题,利用正交信号校正算法,提出一种基于正交余弦相似度的数据驱动型优化策略。利用部分批次指标变量定义指标相关子空间,并通过奇异值分解获得背景空间的基,将新批次时段变量投影到正交基上从而提取出指标相关的信息;采用主元分析算法对校正后的变量降维,在降维后的载荷平面中,基于各校正时段变量与指标变量的余弦相似度实现操作曲线的优化;考虑到变量间的相似度会随着批次发生变化,推导出递推算法来更新操作曲线。将该方法应用到双酚A间歇结晶过程的温度曲线优化中,预测产率的提升验证了所提方法的可行性。     

基于隐变量空间载荷余弦相似度的间歇过程递推优化

针对间歇过程基于主元相似度优化方法中存在的变量相关性信息损失问题,提出一种单位化隐变量空间下利用载荷余弦相似度进行递推优化的新策略。首先将各时段变量与指标变量构成的扩展矩阵进行主元分解,通过信息的重新分配使得由主元构成的隐变量空间是单位正交的,从而得到包含更多变量相关信息的非单位化载荷矩阵,进一步计算隐变量空间下各时段变量与指标变量之间载荷余弦相似度和批次间指标增量,并对操作曲线进行递推修正。这种非单位化载荷矩阵的主元分解形式,不仅降低了隐变量空间下变量相关性信息损失,也使得更新操作曲线的递推算法更为简化。最后,通过间歇过程某一化工产品结晶纯度的优化研究,验证了所提方法的有效性。     

基于隐变量空间载荷余弦相似度的间歇过程递推优化

针对间歇过程基于主元相似度优化方法中存在的变量相关性信息损失问题,提出一种单位化隐变量空间下利用载荷余弦相似度进行递推优化的新策略。首先将各时段变量与指标变量构成的扩展矩阵进行主元分解,通过信息的重新分配使得由主元构成的隐变量空间是单位正交的,从而得到包含更多变量相关信息的非单位化载荷矩阵,进一步计算隐变量空间下各时段变量与指标变量之间载荷余弦相似度和批次间指标增量,并对操作曲线进行递推修正。这种非单位化载荷矩阵的主元分解形式,不仅降低了隐变量空间下变量相关性信息损失,也使得更新操作曲线的递推算法更为简化。最后,通过间歇过程某一化工产品结晶纯度的优化研究,验证了所提方法的有效性。     

基于主元相似度的间歇过程操作曲线多阶段融合优化

针对一类具有多阶段特性的间歇过程操作曲线优化问题,提出了一种基于过程正常运行批次的数据驱动型操作曲线多阶段融合优化方法。首先通过时间片矩阵的划分以及主元分析,计算加权时间片载荷矩阵,并对其进行聚类分析得出过程的阶段;然后在每一阶段下利用时段变量与指标变量的相似度修正操作曲线;最后通过计算各阶段与指标变量的相关系数,获取阶段的权重从而实现操作曲线融合。将该方法应用到某化工产品的间歇结晶过程中,结果验证了所提方法的有效性。     

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。     

基于粗糙集的智能可视化优化方法用于加氢裂化反应操作优化

加氢裂化反应的历史生产数据包含了丰富的操作规律,而目前没有被充分挖掘和利用。针对该问题,本文 提出了基于粗糙集的智能可视化优化方法,并应用该方法对加氢裂化反应的操作变量进行了优化。采用自适应离 散化的方法对加氢裂化反应的生产操作数据进行离散化,得到离散化的数据集。针对数据集属性约简的N-P 难题, 提出了基于列队竞争算法的属性约简计算方法。通过对加氢裂化反应的数据集约简计算,使预设的12 个操作变量 约简到了8 个,除去了4 个冗余变量,有效降低了优化搜索空间。在此基础上,应用智能可视化优化方法将约简 后的加氢裂化反应数据降维映射到平面,并生成航煤收率的等值线,据此,直观地确定出了航煤收率的优化区域 和优化操作点。结果说明,选出的优化工况点与原工况航煤收率33.98%相比,能使航煤收率提高到37.58%.     

一种针对间歇过程过渡状态的故障诊断方法

针对间歇过程过渡状态下具有的复杂过程特性,提出一种基于二维动态主成分分析（2DDPCA）的故障诊断方法。该方法将故障信息划分为“批次内”和“批次间”信息,采用变量贡献图方法隔离故障变量,并依据2DDPCA模型支撑区域中故障变量的相关性变化具体分析故障成因。仿真结果验证了该方法的可行性和有效性。     

基于多阶段多向核熵成分分析的间歇过程故障检测方法

针对间歇过程的非线性、多阶段特性,提出一种基于多阶段多向核熵成分分析（multistage-MKECA,MsMKECA）的故障检测方法。针对间歇过程的多阶段特性,建立一种时序核熵主元关联度的矩阵相似性阶段划分方法,实现对间歇生产过程的多阶段划分;针对传统批次展开方式在线监控需要预估批次未来值的缺陷,进一步引入一种批次-变量三维数据展开方式建立每个阶段的MKECA非线性统计模型,实现对间歇过程的分阶段监控。最后对盘尼西林发酵过程开展仿真研究,结果表明所提方法能够比传统MKECA方法更为快速地进行故障检测。     

基于扩展得分矩阵的多阶段间歇过程质量预测

为考虑质量变量对阶段划分结果的影响,提高建模精度,提出了一种基于扩展得分矩阵的多阶段间歇过程质量预测方法。首先将三维过程数据沿批次方向展开为二维数据矩阵,对每个时间片矩阵进行偏最小二乘(partial least squares,PLS)分析得到可以表征过程变量的得分矩阵和可以表征质量变量的得分矩阵;然后构建每个时间片的扩展得分矩阵,利用扩展得分矩阵捕捉质量变量信息对划分阶段的影响,采用CS (Cauchy-Schwarz)统计量计算相邻两个扩展得分矩阵的相似度,依据相似度将操作过程划分为不同的操作阶段,对划分后的各个阶段分别建立MPLS质量预测模型;最后将该算法在青霉素发酵仿真实验平台和大肠杆菌生产数据上进行了实验验证,实验结果表明了本文所提方法的可行性和有效性。     

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.     

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.     

Development of hidden semi-Markov models for diagnosis of multiphase batch operation

This paper deals with automatic on-line detection and diagnosis of fault patterns in multiphase batch processes. A novel and flexible approach based on the combination of hidden segmental semi-Markov models (HSMM) and multiway principal component analysis (MPCA) is proposed. In all batch operations, process variables may have correlations with each other, and MPCA is used to handle cross-correlation among process variables. In multiphase batch processes, the effect of external factors on process variables is phase-specific and the duration of each phase varies from batch to batch. HSMM is used to model the multiphase batch operation by representing each phase with a macro-state whose duration is determined by a phase-specific probability distribution of a number of micro-states. The output of each micro-state corresponds to the values of the monitored variables at a specific point in time. Given this structure, MPCA-HSMM parameters are trained by the batch operation data and recursive Viterbi algorithm is used to find out the optimum state sequence from each batch. Probability values of the optimum state sequence are collected to construct the probabilistic model which is used to compute the corresponding control limit for the specified operating condition. One MPCA-HSMM model is to be built for each type of previously known operating condition—normal and fault events. The power and advantages of the proposed method are successfully demonstrated in a simulated fed-batch penicillin cultivation process. MPCA-HSMM correctly identifies the type of fault from the batch operation data.     

分批补料反应过程的非固定终端经济优化控制

针对批次生产周期不确定问题,提出一种非固定终端的经济优化控制方法。首先采用经济模型预测控制方法,用收益最大化的经济型目标函数代替终端约束,并将批次生产周期纳入被优化变量,建立动态经济优化问题,并通过对每个控制变量进行有差异的参数化,将动态优化问题转化为非线性规划（NLP）问题;然后使用内点罚函数法求解含非线性约束的优化问题,得到的最优控制序列和最佳批次生产周期,可将不确定扰动带来的损失降低到最小。其次采用非固定预测时域的滚动时域控制方法,不仅提高多变量系统的协同控制能力,而且根据实时预测终端产品产量不断优化更新关键操纵变量的控制分段函数的分割数及控制序列,从而可灵活优化操纵变量和操作时间的轨迹。最后在苯胺加氢过程上进行了批次优化控制性能测试,测试结果表明,非固定终端的经济优化控制从批次的总生产效益角度来优化每个批次生产的操作条件,实现批次反应过程生产时间与经济效益的最优化管理。     

Multivariate Modeling of a Chemical Toner Manufacturing Process

Modeling, optimization, process monitoring, and product development in a toner process using multiway principal component analysis and multiway partial least square method is described. Process measurements and product quality values of past successful batches were collected in a data matrix and preprocessed through time alignment, centering, and scaling. Following the identification of latent variables, an empirical model was built through a fourfold cross validation that can represent the operation of a successful batch. The prepared model provided a realistic prediction of process behavior, realistically represented the operation of the industrial unit, and is mathematically simple enough to be used in online optimization and for automatic control strategies of selected abnormal batches.     

Batch selection,assignment and sequencing in multi-stage multi-product processes

The scheduling of multi-product, multi-stage batch processes is industrially important because it allows us to utilize resources that are shared among competing products in an optimal manner. Previously proposed methods consider problems where the number and size of batches is known a priori. In many instances, however, the selection and sizing (batching) of batches is or should be an optimization decision. To address this class of problems we develop a novel mixed-integer linear programming (MILP) formulation that involves three levels of discrete decisions: selection of batches, assignment of batches to units and sequencing of batches in each unit. Continuous decision variables include sizing and timing of batches. We consider various objective functions: minimization of makespan, earliness, lateness and production cost, as well as maximization of profit, an objective not addressed by previous multi-stage scheduling methods. To enhance the solution of the proposed MILP model we propose symmetry breaking constraints, develop a preprocessing algorithm for the generation of constraints that reduce the number of feasible solutions, and fix sequencing variables based upon time window information. The model enables the optimization of batch selection, assignment and sequencing decisions simultaneously and is shown to yield solutions that are better than those obtained by existing sequential optimization methods.     

基于PSO-控制变量参数化混合策略的间歇化工过程优化控制

控制变量参数化方法作为一种化工过程动态优化的梯度搜索算法，其求解效率过于依赖初始给定轨迹。目前初始轨迹一般都是设定在边界值或中间值，缺乏科学依据，从而大大影响了算法的收敛速度。针对这一问题，提出了一种粒子群优化(PSO)与控制变量参数化方法混合的策略，首先利用粒子群优化对间歇化工过程最优控制量进行求解，结果作为控制变量参数化方法初始给定轨迹，进行二次优化。双层优化的混合策略提高了控制变量参数化方法的收敛速度和粒子群优化算法的求解精度。将混合策略应用于两个间歇化工过程优化控制实例，仿真结果表明了该算法对求解化工过程动态优化问题具有可行性和有效性。     

基于核相似度支持向量数据描述的间歇过程监测

基于支持向量数据描述的间歇过程监测方法选择历史过程数据中最大的核距离作为控制限，忽略了高维空间中超球体的不规则性，导致基于该方法的过程监测精度不高。针对上述问题，提出了一种基于核相似度支持向量数据描述的间歇过程监测方法，将间歇过程数据待监测样本与支持向量之间的核函数值作为相似度权重，利用该相似度对不同时刻的支持向量球心距加权求和，得到待监测间歇过程数据样本的动态控制限，通过判断待监测样本的球心距是否超过其动态控制限，实现间歇过程监测。所提方法综合考虑了超球体的不规则性和过程数据在高维空间分布的局部特性，以及间歇过程数据待监测样本的时变性，提高了间歇过程监测的准确性。利用数值仿真实验和半导体金属刻蚀实验验证了该方法的有效性。     

不确定性间歇过程的一种实时优化控制方法

针对不确定性间歇过程的实时优化问题,提出了一种集成批间和批内优化的新实时优化控制方法。首先求解标称模型得到最优输入轨迹的结构,然后将输入轨迹参数化为若干标量决策变量及子输入轨迹。对最优性条件中的终端约束部分,使用批间优化满足约束条件;对梯度轨迹部分,提出一种回归法近似最优输入轨迹,以解决不确定扰动的在线不可测问题,实现梯度轨迹的批内优化。对一个间歇反应器的仿真研究表明了新方法的有效性。