Research Institute for Advanced Manufacturing, Department of Industrial and Systems Engineering, The Hong Kong Polytechnic University, Hong Kong Special Administrative Region, China.
Research Institute for Advanced Manufacturing, Department of Industrial and Systems Engineering, The Hong Kong Polytechnic University, Hong Kong Special Administrative Region, China.
Waste Manag. 2024 Nov 15;188:48-59. doi: 10.1016/j.wasman.2024.07.035. Epub 2024 Aug 3.
Ensuring the interpretability of machine learning models in chemical engineering remains challenging due to inherent limitations and data quality issues, hindering their reliable application. In this study, a qualitatively implicit knowledge-guided machine learning framework is proposed to improve plasma gasification modelling. Starting with a pre-trained machine learning model, parameters are further optimized by integrating the heuristic algorithm to minimize the data fitting errors and resolving implicit monotonic inconsistencies. The latter is comprehensively quantified through Monte Carlo simulations. This framework is adaptive to different machine learning techniques, exemplified by artificial neural network (ANN) and support vector machine (SVM) in this study. Validated by a case study on plasma gasification, the results reveal that the improved models achieve better generalizability and scientific interpretability in predicting syngas quality. Specifically, for ANN, the root mean square error (RMSE) and knowledge-based error (KE) reduce by 36.44% and 83.22%, respectively, while SVM displays a decrease of 2.58% in RMSE and a remarkable 100% in KE. Importantly, the improved models successfully capture all desired implicit monotonicity relationships between syngas quality and feedstock characteristics/operating parameters, addressing a limitation that traditional machine learning struggles with.
由于内在的局限性和数据质量问题,确保机器学习模型在化学工程中的可解释性仍然具有挑战性,这阻碍了它们的可靠应用。在本研究中,提出了一种定性隐式知识引导的机器学习框架,以改进等离子体气化建模。该框架从预先训练的机器学习模型开始,通过集成启发式算法进一步优化参数,以最小化数据拟合误差并解决隐式单调不一致性。通过蒙特卡罗模拟对后者进行全面量化。该框架适用于不同的机器学习技术,在本研究中以人工神经网络 (ANN) 和支持向量机 (SVM) 为例。通过对等离子体气化的案例研究进行验证,结果表明,改进后的模型在预测合成气质量方面具有更好的泛化能力和科学可解释性。具体来说,对于 ANN,均方根误差 (RMSE) 和基于知识的误差 (KE) 分别降低了 36.44%和 83.22%,而 SVM 的 RMSE 降低了 2.58%,KE 则显著降低了 100%。重要的是,改进后的模型成功捕捉到了合成气质量与原料特性/操作参数之间所有期望的隐式单调性关系,解决了传统机器学习难以解决的问题。