基于机器学习和原料碱激发活性特征的矿粉基碱激发胶凝材料抗压强度预测研究

Prediction of compressive strength of mineral powder based alkali-activated materials based on machine learning and alkali reactivity of precursor

  • 摘要: 碱激发胶凝材料(Alkali-Activated Materials, AAMs)与硅酸盐水泥的反应机理不同且原料更复杂,因此用于性能设计及预测的影响因素应该是基于碱激发原理所设置。本研究选择原料碱激发活性参数作为输入特征,以传统的原料氧化物和火山灰活性特征作为对照,探讨碱激发活性参数作为关于矿渣基AAMs抗压强度的机器学习输入特征的可行性。首先,采用XRF、强度法和“XRF-碱浸出-XRF”法表征矿渣、粉煤灰、偏高岭土和硅灰的氧化物组成、火山灰活性和碱激发活性共三类特征。其次,将四种原料和硅酸钠碱激发剂按照不同比例混合,测试102组净浆的28 d抗压强度作为输出特征。将氧化物组成-火山灰活性、碱激发活性分别与配比结合,构建两组标签个数为6的输入特征作为对照。用随机森林(Random Forest, RF)、极端梯度提算(Extreme Gradient Boosting, XGBoost)和堆叠(Stacking)模型对抗压强度进行机器学习,利用R2、RMSE和MAE指标对输入特征和模型的有效性进行评估。最后,应用SHAP值算法对模型输入特征进行可解释分析。结果表明,原料的碱激发活性参数可以将传统输入特征的氧化物参数进一步细化为作用相反的活性氧化物和不溶物,并且取代对AAMs抗压强度影响规律模糊的火山灰活性,因此将其作为输入特征可以显著提高所有模型的预测精度。其中XGBoost的学习和泛化能力较强,在测试集上的R2从0.84被提升至0.87。

     

    Abstract: The raw material sources of alkali-activated materials (AAMs) are more complex than those of Portland cement, and their reaction mechanisms are different. Therefore, the influencing factors for performance design and prediction should be set based on the principle of alkali activation. This study explored the feasibility of using alkali activation reactivity of raw materials as machine learning input features to predict the compressive strength of slag-based AAMs, comparing them with traditional features such as oxide composition and pozzolanic activity. First, the pozzolanic and alkali reactivity of granulated ground blast furnace slag (GGBS), fly ash(FA), metakaolin(MK), and silica fume(S) were characterized using the strength method and the "XRF-alkali leaching-XRF" method. Then, 102 paste samples were prepared by mixing the four raw materials and sodium silicate activator in different proportions, and their 28 d compressive strengths were measured as output features. Based on the material reactivity and proportions, two sets of input features with six labels each were constructed. Random Forest (RF), Extreme Gradient Boosting (XGBoost), and Stacking models were employed to predict compressive strength, with model performance evaluated using R², RMSE, and MAE. Furthermore, SHAP values were applied for interpretable analysis of the models. The results indicate that the alkali activation reactivity can refine the traditional oxide composition features into reactive oxides and insoluble components with opposite effects. These parameters also replace the ambiguous influence of pozzolanic activity on the compressive strength of AAMs. Consequently, using alkali activation reactivity as input features significantly improves the predictive accuracy of all models. Among them, XGBoost demonstrated superior learning and generalization capabilities, with the R2 on the test set increasing from 0.84 to 0.87.

     

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