基于特征交互的MHA-SVR自适应软传感器超声植物药提取。

IF 3.3 4区 医学 Q3 CHEMISTRY, MEDICINAL
Yuqi Yue, Zepeng Xue, Zhongyu Guo, Juan Chen
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引用次数: 0

摘要

超声波提取是分离植物药中有效成分的一项重要技术。然而,作为一个具有非线性和小样本量特征的批处理过程,在提取植物药的过程中,对提取率的实时和预测提出了很大的挑战。提出了一种用于超声波植物药提取的自适应软传感器。方法:首次提出了一种基于注意机制的自适应软传感器。注意机制计算样本之间的相关性,并根据它们与当前查询的相似性分配权重。然后利用支持向量回归(SVR)构建提取率测量软传感器。为了进一步加强样本信息分析,采用多头关注。这允许模型计算跨不同特征空间的当前查询和历史数据之间的相似性,从而提高了固有数据结构的建模能力。最后,设计并进行了双频超声提取葛根素的实验。在不同的初始提取温度下,收集不同批次的实验数据并进行标记。利用这些数据建立软测量模型并对其性能进行比较。结果与讨论:实验结果表明,所提出的MHA-SVR模型比主流模型的决定系数(R²)提高了5.12%,在线预测时间比JITL-SVR模型缩短了88%。该工作性能优于其他工作,同时保持了良好的双频超声提取葛根素的实时性。结论:本研究提出的多头关注和svr集成软测量方法有效解决了多批次超声提取过程在线监测中的软测量难题。该方法在不同批次和不同初始操作条件下的提取率检测精度显著提高,从而为植物材料加工中提取效率的实时定量提供了可靠的技术解决方案。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
MHA-SVR: An Adaptive Soft Sensor Based on Feature Interaction for Ultrasonic Phytomedicine Extraction.

Introduction: Ultrasonic extraction is a crucial technique for isolating active compounds from phytomedicine. However, as a batch process characterized by non-linearity and small sample size, it poses substantial challenges for real-time and prediction of extraction rates during the extraction of phytomedicinal. This work proposes an adaptive soft sensor for ultrasonic phytomedicine extraction.

Method: An adaptive soft sensor based on an attention mechanism was first proposed. The attention mechanism calculates correlations between samples and assigns weights based on their similarity to the current query. Support vector regression (SVR) is then used to construct the soft sensor for extraction rate measurement. To further enhance sample information analysis, multi-head attention is employed. This allows the model to calculate the similarity between current queries and historical data across different feature spaces, thus improving the modeling capabilities of the intrinsic data structure. Finally, a dual-frequency ultrasonic extraction experiment of puerarin is designed and conducted. The experimental data is collected and labeled from different batches under varying initial extraction temperatures. This data is used to establish the soft sensor model and compare its performance.

Results and discussion: The experimental results indicate that the proposed MHA-SVR model improved the coefficient of determination (R²) by 5.12% compared to the mainstream model and reduced the online prediction time by 88% compared to the JITL-SVR model. This work performance well exceeds the others while maintaining good real-time capabilities for the dual-frequency ultrasonic extraction of puerarin.

Conclusion: The multi-head attention and SVR-integrated soft sensor method proposed in this study effectively addresses the soft measurement challenges in online monitoring of multi-batch ultrasonic extraction processes. This approach demonstrates significant enhancement in extraction yield detection accuracy across varying batches and diverse initial operating conditions, thereby providing a robust technical solution for real-time quantification of extraction efficiency in botanical material processing.

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来源期刊
CiteScore
6.40
自引率
2.90%
发文量
186
审稿时长
3-8 weeks
期刊介绍: Current Topics in Medicinal Chemistry is a forum for the review of areas of keen and topical interest to medicinal chemists and others in the allied disciplines. Each issue is solely devoted to a specific topic, containing six to nine reviews, which provide the reader a comprehensive survey of that area. A Guest Editor who is an expert in the topic under review, will assemble each issue. The scope of Current Topics in Medicinal Chemistry will cover all areas of medicinal chemistry, including current developments in rational drug design, synthetic chemistry, bioorganic chemistry, high-throughput screening, combinatorial chemistry, compound diversity measurements, drug absorption, drug distribution, metabolism, new and emerging drug targets, natural products, pharmacogenomics, and structure-activity relationships. Medicinal chemistry is a rapidly maturing discipline. The study of how structure and function are related is absolutely essential to understanding the molecular basis of life. Current Topics in Medicinal Chemistry aims to contribute to the growth of scientific knowledge and insight, and facilitate the discovery and development of new therapeutic agents to treat debilitating human disorders. The journal is essential for every medicinal chemist who wishes to be kept informed and up-to-date with the latest and most important advances.
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