论文标题

使用堆叠集合机学习方法预测电子停止功率

Predicting electronic stopping powers using stacking ensemble machine learning method

论文作者

Akbari, Fatemeh, Taghizadeh, Somayeh, Shvydka, Diana, Sperling, Nicholas Niven, Parsai, E. Ishmael

论文摘要

目的:准确的电子停止功率数据对于计算从剂量法和放射疗法到颗粒物理学的各种应用中的辐射诱导的效应至关重要。在这项研究中,开发了堆叠集合机学习(EML)算法,以预测各种离子能量的任何事件离子和靶标组合的电子停止功率。为此,选择了五个ML模型,即BR,XGB,ADB,GB和RF作为基础和元学习者来构建最终的堆叠EML。方法:从1928年到现在,在国际原子能局(IAEA)网站上获得的40,044次实验测量用于培训机器学习(ML)算法。该数据库由593个离子目标组合组成,范围为0.037至985 MeV。对于模型培训,选择了11个最重要的功能。使用几个误差指标进行模型评估,包括R平方(R2),Root-Mean-squared-Error(RMSE),Mean-Absolute-Error(MAE)和均值Absolute-ermentage-eRentage-Error(MAPE)在培训和测试数据集上进行。结果:基于模型性能评估测试,通过包装回归器(BR)元学习者的一堆极端梯度提升(XGB)和随机森林(RF)的误差余量最高。 R2 = 0.9985的值表明在整个停止功率范围内的训练数据中,所有样品都近乎理想。 R2 = 0.9955对于该模型对看不见的测试数据的预测,该模型可以准确预测测试数据。结论:开发的模型对整个颗粒能谱中的任何离子目标组合产生了高度准确的预测。相关模型可以用作通用工具,以在广泛的情况下生成停止功率数据,无论实验数据的可用性或可靠的理论方程式如何。

Purpose: Accurate electronic stopping power data is crucial for calculating radiation-induced effects in various applications, from dosimetry and radiotherapy to particle physics. In this study, Stacking Ensemble Machine Learning (EML) algorithm was developed to predict electronic stopping power for any incident ion and target combination over a wide range of ion energies. For this purpose, five ML models, namely BR, XGB, AdB, GB, and RF, were selected as base and meta learners to construct the final Stacking EML. Methods: 40,044 experimental measurements, from 1928 to the present, available on the International Atomic Energy Agency (IAEA) website were used to train machine learning (ML) algorithms. This database consists of 593 ion-target combinations across the energy range of 0.037 to 985 MeV. For model training, the eleven most important features were selected. The model evaluation was performed using several error metrics, including R-squared (R2), root-mean-squared-error (RMSE), mean-absolute-error (MAE), and mean-absolute-percentage-error (MAPE), on both the training and test datasets. Results: Based on model performance evaluation tests, a stack of eXtreme Gradient Boosting (XGB) and Random Forest (RF) via Bagging Regressor (BR) meta-learner had the highest lowest error margin. The value of R2=0.9985 indicated a near-ideal fit to all samples in the training data across the entire range of stopping powers. R2=0.9955 for predictions made by the model on the unseen test data suggested that the model accurately predicted the test data. Conclusions: The developed model resulted in highly accurate predictions for any ion-target combination across the whole particle energy spectrum. The associated model can serve as a universal tool to generate the stopping power data in a wide range of cases, regardless of the availability of experimental data or reliable theoretical equations.

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