{"title":"基于贝叶斯优化的时空自我关注网络,用于预测甲醇制烯烃过程中的轻质烯烃产量","authors":"Jibin Zhou , Duiping Liu , Mao Ye , Zhongmin Liu","doi":"10.1016/j.aichem.2024.100067","DOIUrl":null,"url":null,"abstract":"<div><p>Methanol-to-olefins (MTO), as an alternative pathway for the synthesis of light olefins (ethylene and propylene), has gained extensive attention. Accurate prediction of light olefins yields can effectively facilitate process monitoring and optimization, as they are significant economic indexes and stable operation indicators of the industrial MTO process. However, the nonlinearity and dynamic interactions among process variables pose challenges for the prediction using traditional statistical methods. Additionally, physical-based methods relying on first-principle theory are always limited by an insufficient understanding of reaction mechanisms. In contrast, data-driven methods offer a viable solution for the prediction based solely on process data without requiring extensive process knowledge. Therefore, in this work, a data-driven approach that integrates spatial and temporal self-attention modules is proposed to capture complex interactions. Furthermore, Bayesian optimization is employed to determine the optimum hyperparameters and enhance the accuracy of the model. Studies on an actual MTO process demonstrate the superior prediction performance of the proposed model compared to baseline models. Specifically, 24 process variables are selected as the high-dimensional inputs, and yields of ethylene and propylene, as the low-dimensional outputs, are successfully predicted at various prediction horizons ranging from 2 to 8 h.</p></div>","PeriodicalId":72302,"journal":{"name":"Artificial intelligence chemistry","volume":"2 1","pages":"Article 100067"},"PeriodicalIF":0.0000,"publicationDate":"2024-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2949747724000253/pdfft?md5=23aede3f145af7617d071f10a10c1e3f&pid=1-s2.0-S2949747724000253-main.pdf","citationCount":"0","resultStr":"{\"title\":\"Spatial-temporal self-attention network based on bayesian optimization for light olefins yields prediction in methanol-to-olefins process\",\"authors\":\"Jibin Zhou , Duiping Liu , Mao Ye , Zhongmin Liu\",\"doi\":\"10.1016/j.aichem.2024.100067\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Methanol-to-olefins (MTO), as an alternative pathway for the synthesis of light olefins (ethylene and propylene), has gained extensive attention. Accurate prediction of light olefins yields can effectively facilitate process monitoring and optimization, as they are significant economic indexes and stable operation indicators of the industrial MTO process. However, the nonlinearity and dynamic interactions among process variables pose challenges for the prediction using traditional statistical methods. Additionally, physical-based methods relying on first-principle theory are always limited by an insufficient understanding of reaction mechanisms. In contrast, data-driven methods offer a viable solution for the prediction based solely on process data without requiring extensive process knowledge. Therefore, in this work, a data-driven approach that integrates spatial and temporal self-attention modules is proposed to capture complex interactions. Furthermore, Bayesian optimization is employed to determine the optimum hyperparameters and enhance the accuracy of the model. Studies on an actual MTO process demonstrate the superior prediction performance of the proposed model compared to baseline models. Specifically, 24 process variables are selected as the high-dimensional inputs, and yields of ethylene and propylene, as the low-dimensional outputs, are successfully predicted at various prediction horizons ranging from 2 to 8 h.</p></div>\",\"PeriodicalId\":72302,\"journal\":{\"name\":\"Artificial intelligence chemistry\",\"volume\":\"2 1\",\"pages\":\"Article 100067\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-04-30\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.sciencedirect.com/science/article/pii/S2949747724000253/pdfft?md5=23aede3f145af7617d071f10a10c1e3f&pid=1-s2.0-S2949747724000253-main.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Artificial intelligence chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2949747724000253\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Artificial intelligence chemistry","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2949747724000253","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
摘要
甲醇制烯烃(MTO)作为合成轻质烯烃(乙烯和丙烯)的替代途径,已受到广泛关注。轻烯烃产率是工业 MTO 工艺的重要经济指标和稳定运行指标,准确预测轻烯烃产率可有效促进工艺监控和优化。然而,工艺变量之间的非线性和动态相互作用给使用传统统计方法进行预测带来了挑战。此外,基于第一原理理论的物理方法总是受到对反应机理理解不足的限制。与此相反,数据驱动方法提供了一种可行的解决方案,即仅根据工艺数据进行预测,而无需大量的工艺知识。因此,在这项工作中,提出了一种整合了空间和时间自我关注模块的数据驱动方法,以捕捉复杂的相互作用。此外,还采用了贝叶斯优化法来确定最佳超参数,提高模型的准确性。对实际 MTO 过程的研究表明,与基线模型相比,所提出的模型具有更优越的预测性能。具体来说,选择 24 个过程变量作为高维输入,乙烯和丙烯的产量作为低维输出,在 2 到 8 小时的不同预测时间范围内都能成功预测。
Spatial-temporal self-attention network based on bayesian optimization for light olefins yields prediction in methanol-to-olefins process
Methanol-to-olefins (MTO), as an alternative pathway for the synthesis of light olefins (ethylene and propylene), has gained extensive attention. Accurate prediction of light olefins yields can effectively facilitate process monitoring and optimization, as they are significant economic indexes and stable operation indicators of the industrial MTO process. However, the nonlinearity and dynamic interactions among process variables pose challenges for the prediction using traditional statistical methods. Additionally, physical-based methods relying on first-principle theory are always limited by an insufficient understanding of reaction mechanisms. In contrast, data-driven methods offer a viable solution for the prediction based solely on process data without requiring extensive process knowledge. Therefore, in this work, a data-driven approach that integrates spatial and temporal self-attention modules is proposed to capture complex interactions. Furthermore, Bayesian optimization is employed to determine the optimum hyperparameters and enhance the accuracy of the model. Studies on an actual MTO process demonstrate the superior prediction performance of the proposed model compared to baseline models. Specifically, 24 process variables are selected as the high-dimensional inputs, and yields of ethylene and propylene, as the low-dimensional outputs, are successfully predicted at various prediction horizons ranging from 2 to 8 h.