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Hyperbox Mixture Regression for process performance prediction in antibody production Hyperbox混合回归用于抗体生产过程性能预测
IF 3 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-02-15 DOI: 10.1016/j.dche.2025.100221
Ali Nik-Khorasani , Thanh Tung Khuat , Bogdan Gabrys
This paper addresses the challenges of predicting bioprocess performance, particularly in monoclonal antibody (mAb) production, where conventional statistical methods often fall short due to time-series data’s complexity and high dimensionality. We propose a novel Hyperbox Mixture Regression (HMR) model that employs hyperbox-based input space partitioning to enhance predictive accuracy while managing uncertainty inherent in bioprocess data. The HMR model is designed to dynamically generate hyperboxes for input samples in a single-pass process, thereby improving learning speed and reducing computational complexity. Our experimental study utilizes a dataset that contains 106 bioreactors. This study evaluates the model’s performance in predicting critical quality attributes in monoclonal antibody manufacturing over a 15-day cultivation period. The results demonstrate that the HMR model outperforms comparable approximators in accuracy and learning speed and maintains interpretability and robustness under uncertain conditions. These findings underscore the potential of HMR as a powerful tool for enhancing predictive analytics in bioprocessing applications.
本文解决了预测生物过程性能的挑战,特别是在单克隆抗体(mAb)生产中,由于时间序列数据的复杂性和高维性,传统的统计方法往往不足。我们提出了一种新的Hyperbox混合回归(HMR)模型,该模型采用基于Hyperbox的输入空间划分来提高预测精度,同时管理生物过程数据中固有的不确定性。HMR模型设计为在单遍过程中动态生成输入样本的超盒,从而提高了学习速度并降低了计算复杂度。我们的实验研究使用了包含106个生物反应器的数据集。本研究评估了该模型在预测单克隆抗体生产中15天培养期关键质量属性方面的性能。结果表明,HMR模型在精度和学习速度上优于同类逼近器,并在不确定条件下保持可解释性和鲁棒性。这些发现强调了HMR作为生物加工应用中增强预测分析的强大工具的潜力。
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引用次数: 0
Integration of artificial intelligence and advanced optimization techniques for continuous gas lift under restricted gas supply: A case study 限制供气条件下连续气举的人工智能与先进优化技术集成:案例研究
IF 3 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-01-31 DOI: 10.1016/j.dche.2025.100220
Leila Zeinolabedini , Forough Ameli , Abdolhossein Hemmati-Sarapardeh
In the oil industry, gas lift is essential for facilitating fluid flow toward the production unit. However, the challenge lies in balancing gas availability constraints to achieve maximum efficiency in an oil field. This study utilizes the integrated production modeling (IPM) software to simulate an oil field operation in Iran. To this end, 154 data points constructed by a central composite design (CCD) experiment were utilized to develop neural network models. Therefore, four robust models, including multilayer perceptron (MLP), radial basis function (RBF), general regression neural network (GRNN), and cascade forward neural network (CFNN), were implemented for modeling. In addition, the net present value (NPV) serves as the objective function. To optimize the selected input variables, including tubing inside diameter, gas injection rate, and separator pressure, various optimization algorithms such as particle swarm optimization (PSO), ant colony optimization (ACO), genetic algorithm (GA), and a Novel optimization algorithm in a gas-lift study called grey wolf optimization (GWO), were utilized considering the constraint of the limited available gas. A penalty function was used to incorporate this constraint into the optimization procedure. There has previously been much research in the area of gas lift optimization. However, robust neural networks (GRNN and CFNN) have not been used for integrated production system modeling, nor have GWO algorithms been used to maximize the production or NPV in gas lift operations until now. The results for model errors were found to be %2.09, %2.99, %10.68, and %1.75 for MLP, RBF, GRNN, and CFNN, respectively. These findings imply that the CFNN model is more efficient. Also, comparing the GWO approach to other algorithms, the largest NPV ($788,512,038$) was yielded with less sensitivity of its adjustable parameters. Thereupon, NPV and cumulated oil production indicate a significant increase compared to ordinary NPV and oil production with values of 351,087,876.4 $ and 14,308 STB, respectively. High NPV effectively captures the overall added value of the project and, as a benchmark, helps to make informed decisions about investment and resource allocation, ultimately driving economic growth and increasing competitiveness in using this method.
在石油工业中,气举对于促进流体流向生产装置至关重要。然而,挑战在于平衡天然气的可用性限制,以实现油田的最大效率。本研究利用综合生产建模(IPM)软件对伊朗某油田的作业进行了模拟。为此,利用中心复合设计(CCD)实验构建的154个数据点建立神经网络模型。为此,采用多层感知器(MLP)、径向基函数(RBF)、广义回归神经网络(GRNN)和级联前向神经网络(CFNN)四种鲁棒模型进行建模。此外,净现值(NPV)作为目标函数。为了优化所选择的输入变量,包括油管内径、注气量和分离器压力,采用了多种优化算法,如粒子群优化(PSO)、蚁群优化(ACO)、遗传算法(GA),以及考虑到可用气体有限的约束,气举研究中的一种新型优化算法灰狼优化(GWO)。一个惩罚函数被用来将这个约束纳入到优化过程中。在此之前,在气举优化方面已经进行了大量的研究。然而,迄今为止,鲁棒神经网络(GRNN和CFNN)尚未用于集成生产系统建模,GWO算法也未用于最大化气举作业中的产量或NPV。结果发现,MLP、RBF、GRNN和CFNN的模型误差分别为%2.09、%2.99、%10.68和%1.75。这些发现表明,CFNN模型更有效。此外,将GWO方法与其他算法进行比较,其可调参数的灵敏度较低,产生了最大的NPV(788,512,038美元)。因此,与普通NPV和产油量相比,NPV和累计产油量显著增加,分别为351,087,876.4美元和14,308 STB。高NPV有效地捕捉了项目的整体附加值,并作为基准,有助于做出明智的投资和资源配置决策,最终推动经济增长,提高使用该方法的竞争力。
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引用次数: 0
Bi-level data-driven enterprise-wide optimization with mixed-integer nonlinear scheduling problems 具有混合整数非线性调度问题的双层数据驱动企业级优化
IF 3 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-01-17 DOI: 10.1016/j.dche.2025.100218
Hasan Nikkhah , Zahir Aghayev , Amir Shahbazi , Vassilis M. Charitopoulos , Styliani Avraamidou , Burcu Beykal
Planning and scheduling are crucial components of enterprise-wide optimization (EWO). For the successful execution of EWO, it is vital to view the enterprise operations as a holistic decision-making problem, composed of different interconnected elements or layers, to make the most efficient use of resources in process industries. Among different layers of the operating decisions, planning and scheduling are often treated sequentially, leading to impractical solutions. To tackle this problem, integrated approaches, such as bi-level programming are utilized to optimize these two layers simultaneously. Nonetheless, the bi-level optimization of such interdependent and holistic formulations is still difficult, particularly when dealing with mixed-integer nonlinear programming (MINLP) problems, due to a lack of effective algorithms. In this study, we employ the Data-driven Optimization of bi-level Mixed-Integer NOnlinear problems (DOMINO) framework, a data-driven algorithm developed to handle single-leader single-follower bi-level mixed-integer problems, to solve single-leader multi-follower planning and scheduling problems subject to MINLP scheduling formulations. We apply DOMINO to the continuous production of multi-product methyl methacrylate polymerization process formulated as a Traveling Salesman Problem and demonstrate its capability in achieving near-optimal guaranteed feasible solutions. Building on this foundation, we extend this strategy to solve a high-dimensional and highly constrained nonlinear crude oil refinery operation problem that has not been previously tackled in this context. Our study further evaluates the efficacy of using local, NOMAD (Nonlinear Optimization by Mesh Adaptive Direct Search), and a global data-driven optimizer, ARGONAUT (AlgoRithms for Global Optimization of coNstrAined grey-box compUTational), within the DOMINO framework and characterize their performance both in terms of solution quality and computational expense. The results indicate that DOMINO-NOMAD consistently achieves superior performance compared to DOMINO-ARGONAUT by identifying lower planning costs and generating more feasible solutions across multiple runs. Overall, this study demonstrates DOMINO’s ability to optimize production targets, meet market demands, and address large-scale EWO problems.
计划和调度是企业范围优化(EWO)的关键组成部分。为了成功地实施EWO,至关重要的是将企业运营视为一个整体决策问题,由不同的相互关联的要素或层次组成,以最有效地利用过程工业中的资源。在操作决策的不同层次中,计划和调度通常是顺序处理的,从而导致不切实际的解决方案。为了解决这一问题,利用双层编程等综合方法同时优化这两层。然而,由于缺乏有效的算法,这种相互依赖的整体公式的双层优化仍然很困难,特别是在处理混合整数非线性规划(MINLP)问题时。本文采用数据驱动优化双级混合整数非线性问题(Data-driven Optimization of bi-level Mixed-Integer NOnlinear problems, DOMINO)框架来解决单领导者单追随者双级混合整数问题,这是一种用于处理单领导者单追随者双级别混合整数问题的数据驱动算法。我们将多米诺应用于多产品甲基丙烯酸甲酯聚合过程的连续生产中,该过程被表述为一个旅行推销员问题,并证明了它在获得近最优保证可行解决方案方面的能力。在此基础上,我们将该策略扩展到解决高维、高约束的非线性原油炼油厂运行问题,这是以前在此背景下尚未解决的问题。我们的研究进一步评估了在DOMINO框架中使用局部NOMAD(通过网格自适应直接搜索的非线性优化)和全局数据驱动优化器ARGONAUT(约束灰盒计算的全局优化算法)的效果,并从解决方案质量和计算费用两方面描述了它们的性能。结果表明,与DOMINO-ARGONAUT相比,DOMINO-NOMAD通过确定更低的规划成本并在多次运行中生成更可行的解决方案,始终具有更优越的性能。总体而言,本研究证明了DOMINO优化生产目标、满足市场需求和解决大规模EWO问题的能力。
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引用次数: 0
Efficient data-driven predictive control of nonlinear systems: A review and perspectives 非线性系统的有效数据驱动预测控制:综述与展望
IF 3 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-01-16 DOI: 10.1016/j.dche.2025.100219
Xiaojie Li , Mingxue Yan , Xuewen Zhang , Minghao Han , Adrian Wing-Keung Law , Xunyuan Yin
Model predictive control (MPC) has become a key tool for optimizing real-time operations in industrial systems and processes, particularly to enhance performance, safety, and resilience. However, the growing complexity and nonlinearity of modern industrial systems present significant challenges for both first-principles modeling and real-time implementation of typical non-convex optimization associated with conventional MPC designs based on nonlinear models. In this review, we aim to provide an overview of current data-driven predictive control methods that have attributes of being computationally efficient as well as having the distinctive potential to address the above two challenges simultaneously. We focus particularly on two promising frameworks: (1) Koopman-based model predictive control, and (2) data-enabled predictive control, both of which are capable of formulating the optimization problem into a convex form even in the presence of strong nonlinearity in the underlying system. Additionally, we provide an outlook on the potential applications of these methods and briefly discuss their future directions across various industrial sectors.
模型预测控制(MPC)已经成为优化工业系统和过程实时操作的关键工具,特别是在提高性能、安全性和弹性方面。然而,现代工业系统日益增长的复杂性和非线性给基于非线性模型的传统MPC设计的第一性原理建模和典型非凸优化的实时实现带来了重大挑战。在这篇综述中,我们旨在概述当前数据驱动的预测控制方法,这些方法具有计算效率的属性,并且具有同时解决上述两个挑战的独特潜力。我们特别关注两个有前途的框架:(1)基于koopman的模型预测控制,和(2)数据支持的预测控制,两者都能够将优化问题表述为凸形式,即使在底层系统中存在强非线性。此外,我们对这些方法的潜在应用进行了展望,并简要讨论了它们在各个工业部门的未来方向。
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引用次数: 0
APAH: An autonomous IoT driven real-time monitoring system for Industrial wastewater APAH:一个自主的物联网驱动的工业废水实时监控系统
IF 3 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-01-04 DOI: 10.1016/j.dche.2025.100217
Nishant Chavhan , Resham Bhattad , Suyash Khot , Shubham Patil , Aditya Pawar , Tejasvi Pawar , Palomi Gawli
Water pollution, worsened by rapid industrialization, poses severe challenges to global water management, particularly in developing countries like India. Conventional water quality monitoring methods, which rely on manual sampling and laboratory analysis are, inadequate for handling the dynamic and real-time nature of industrial wastewater contamination. To address this issue, this research article presents the state-of-the-art IoT-based autonomous real-time monitoring system (APAH), a scalable and frugal solution for industrial wastewater management. APAH integrates multi-parameter sensors to continuously monitor critical water quality parameters such as pH, dissolved oxygen (DO), electrical conductivity (EC), total dissolved solids (TDS), turbidity, and temperature. The system's layered architecture, comprising a sensing layer, edge layer, and application layer, enables data acquisition, processing, and remote access via APAH i.e. developed Android mobile application, respectively. APAH utilizes advanced technologies including, the Internet of Things (IoT) and Machine learning (ML) to provide real-time monitoring and control of wastewater treatment processes. Automated valve controls and real-time alerts enable timely intervention, preventing contamination and ensuring compliance with environmental standards. The system's performance was validated through field tests at four industrial wastewater treatment plants in Maharashtra, India particularly directed towards textile, dairy, and greywater effluents, demonstrating significant improvements in water quality post-treatment. The APAH system offers a promising solution for enhancing industrial wastewater treatment efficiency and ensuring sustainable water resource management. By integrating IoT technologies, real-time monitoring, and predictive analytics, APAH can contribute to addressing the urgent need for effective water quality management in industrial environments, particularly in regions facing acute water scarcity and pollution challenges.
由于快速工业化而恶化的水污染对全球水资源管理构成严峻挑战,特别是在印度等发展中国家。传统的水质监测方法依赖于人工采样和实验室分析,不足以处理工业废水污染的动态性和实时性。为了解决这一问题,本文介绍了基于物联网的自主实时监控系统(APAH),这是一种可扩展且节约的工业废水管理解决方案。APAH集成了多参数传感器,可连续监测关键水质参数,如pH值、溶解氧(DO)、电导率(EC)、总溶解固体(TDS)、浊度和温度。该系统采用分层架构,包括传感层、边缘层和应用层,分别通过APAH(即开发的Android移动应用程序)实现数据采集、处理和远程访问。APAH利用包括物联网(IoT)和机器学习(ML)在内的先进技术,对废水处理过程进行实时监测和控制。自动化阀门控制和实时警报能够及时干预,防止污染并确保符合环境标准。该系统的性能在印度马哈拉施特拉邦的四家工业废水处理厂进行了现场测试,特别是针对纺织、乳制品和灰水的废水,显示出在水质后处理方面的显着改善。APAH系统为提高工业废水处理效率和确保水资源的可持续管理提供了一个有前途的解决方案。通过整合物联网技术、实时监测和预测分析,APAH可以帮助解决工业环境中对有效水质管理的迫切需求,特别是在面临严重缺水和污染挑战的地区。
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引用次数: 0
A novel CFD-MILP-ANN approach for optimizing sensor placement, number, and source localization in large-scale gas dispersion from unknown locations 一种新的CFD-MILP-ANN方法,用于在未知位置的大规模气体分散中优化传感器的放置,数量和源定位
IF 3 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-01-02 DOI: 10.1016/j.dche.2024.100216
Yiming Lang , Michelle Xin Yi Ng , Kai Xiang Yu , Binghui Chen , Peng Chee Tan , Khang Wei Tan , Weng Hoong Lam , Parthiban Siwayanan , Kek Seong Kim , Thomas Shean Yaw Choong , Joon Yoon Ten , Zhen Hong Ban
Illegal practices like open electronic waste incineration release hazardous pollutants, endangering the environment and human health. The Internet of Things (IoT) enables online real-time gas concentrations, but its capability to predict leak sources accurately remains a challenge. A large amount of historical data is required to train the source localization model, as gas dispersion is affected by wind speed and wind direction. Furthermore, sensor placement critically affects precise detection and prediction. This study introduces an innovative approach integrating Computational Fluid Dynamics (CFD), Mixed-Integer Linear Programming (MILP), and Artificial Neural Network modeling (ANN). CFD was utilized for machine learning model training. The MILP was used to optimize sensor placement, while the ANN model was used to optimize sensor number. The source localization model was again realized by the ANN model with optimized sensors data. The trained model was able to identify the unknown illegal electronic waste treatment locations with 97.22 % accuracy in this study. This method allows for the rapid detection of gas sources, as well as the execution of an emergency response, in line with Sustainable Development Goal Target 3.9.
露天焚烧电子垃圾等违法行为释放有害污染物,危害环境和人类健康。物联网(IoT)可以实现在线实时气体浓度,但其准确预测泄漏源的能力仍然是一个挑战。由于气体的分散受风速和风向的影响,需要大量的历史数据来训练源定位模型。此外,传感器的位置对精确的检测和预测有着至关重要的影响。本研究提出了一种结合计算流体动力学(CFD)、混合整数线性规划(MILP)和人工神经网络建模(ANN)的创新方法。利用CFD进行机器学习模型训练。采用MILP优化传感器位置,采用人工神经网络模型优化传感器数量。利用优化后的传感器数据,利用人工神经网络模型实现源定位模型。在本研究中,训练的模型能够识别未知的非法电子废物处理地点,准确率为97.22%。该方法可根据可持续发展目标具体目标3.9快速检测气源并执行应急响应。
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引用次数: 0
Controlling tangential flow filtration in biomanufacturing processes via machine learning: A literature review 通过机器学习控制生物制造过程中的切向流过滤:文献综述
IF 3 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-01-02 DOI: 10.1016/j.dche.2024.100211
Bastian Oetomo , Ling Luo , Yiran Qu , Michele Discepola , Sandra E. Kentish , Sally L. Gras
With the rapid growth of the biopharmaceutical sector in recent years, in conjunction with many recent successful developments in machine learning and artificial intelligence, the demand for the sector to shift to Industry 4.0 has emerged. Process Analytical Technology (PAT) makes it possible to monitor and control the manufacturing processes of monoclonal antibodies (mAbs), both in upstream and downstream processing. Despite downstream processing being responsible for approximately 60% of the cost of biological drug production, most of the recent developments focus on its upstream counterpart. This paper investigates existing literature on the application of machine learning and/or process control in downstream processing, with an emphasis on ultrafiltration/diafiltration (UF/DF) via tangential flow filtration (TFF). Literature on the intersection between control systems and machine learning will also be explored.
随着近年来生物制药行业的快速增长,加上最近机器学习和人工智能的许多成功发展,该行业向工业4.0转变的需求已经出现。过程分析技术(PAT)使得监测和控制单克隆抗体(mab)的生产过程成为可能,无论是在上游还是下游加工。尽管下游加工约占生物药品生产成本的60%,但最近的大多数发展都集中在上游加工上。本文研究了机器学习和/或过程控制在下游处理中的应用的现有文献,重点研究了通过切向流过滤(TFF)的超滤/滤(UF/DF)。还将探讨控制系统和机器学习之间交叉的文献。
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引用次数: 0
IF 4.1 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-01-01
{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":72815,"journal":{"name":"Digital Chemical Engineering","volume":"14 ","pages":"Article 100213"},"PeriodicalIF":4.1,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146525119","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
IF 4.1 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-01-01
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引用次数: 0
IF 4.1 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-01-01
{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":72815,"journal":{"name":"Digital Chemical Engineering","volume":"15 ","pages":"Article 100222"},"PeriodicalIF":4.1,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147136232","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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Digital Chemical Engineering
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