{"title":"机器学习模型在液态硅氧烷中声速预测中的精确构建","authors":"Chaofan Hu , Nawfal Yousif Jamil , Tapankumar Trivedi , Anupam Yadav , B.R Sampangi Rama Reddy , Rishabh Thakur , Sachin Jaidka , A.S. Madhusadan Acharyulu , Rafid Jihad Albadr , Waam Mohammed Taher , Mariem Alwan , Mahmood Jasem Jawad , Hiba Mushtaq , Mehrdad Mottaghi","doi":"10.1016/j.jics.2025.101665","DOIUrl":null,"url":null,"abstract":"<div><div>The speed of sound in liquid siloxanes is a critical factor that has an important role in various scientific and industrial applications. This research puts forward artificial intelligence methods of Decision Tree, Adaptive Boosting and Ensemble Learning to create models capable of accurately predicting liquid siloxane speed of sound as a function its boiling point, molar mass, pressure and temperature parameters. An experimental dataset is utilized for this purpose, whose validity is checked via an outlier detection methodology. The findings suggested that nearly all the data is appropriate for the goal of developing a data-driven model. Additionally, it is demonstrated that molar mass if the most influential parameter, negatively affecting liquid siloxane’s speed of sound. The assessment metrics and visual analyses reveal that AdaBoost model is the greatest precise for the estimation job. It attains the greatest R2 value (0.990824) and the least MSE (1,504.315) on the test set, coupled with the lowest AARE% (3.109657). These findings emphasize AdaBoost's exceptional capability to identify intricate patterns and provide accurate predictions, particularly for task of forecasting speed of sound in liquid siloxane. The evaluation study revealed the fact that all the developed models are robust and accurate in predicting the speed of sound. The developed models can be used easily and without experimental tasks which are known to generally be tedious, costly and time-consuming.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 5","pages":"Article 101665"},"PeriodicalIF":3.2000,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"On the accurate construction of machine learning models to predict speed of sound in liquid siloxane\",\"authors\":\"Chaofan Hu , Nawfal Yousif Jamil , Tapankumar Trivedi , Anupam Yadav , B.R Sampangi Rama Reddy , Rishabh Thakur , Sachin Jaidka , A.S. Madhusadan Acharyulu , Rafid Jihad Albadr , Waam Mohammed Taher , Mariem Alwan , Mahmood Jasem Jawad , Hiba Mushtaq , Mehrdad Mottaghi\",\"doi\":\"10.1016/j.jics.2025.101665\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The speed of sound in liquid siloxanes is a critical factor that has an important role in various scientific and industrial applications. This research puts forward artificial intelligence methods of Decision Tree, Adaptive Boosting and Ensemble Learning to create models capable of accurately predicting liquid siloxane speed of sound as a function its boiling point, molar mass, pressure and temperature parameters. An experimental dataset is utilized for this purpose, whose validity is checked via an outlier detection methodology. The findings suggested that nearly all the data is appropriate for the goal of developing a data-driven model. Additionally, it is demonstrated that molar mass if the most influential parameter, negatively affecting liquid siloxane’s speed of sound. The assessment metrics and visual analyses reveal that AdaBoost model is the greatest precise for the estimation job. It attains the greatest R2 value (0.990824) and the least MSE (1,504.315) on the test set, coupled with the lowest AARE% (3.109657). These findings emphasize AdaBoost's exceptional capability to identify intricate patterns and provide accurate predictions, particularly for task of forecasting speed of sound in liquid siloxane. The evaluation study revealed the fact that all the developed models are robust and accurate in predicting the speed of sound. The developed models can be used easily and without experimental tasks which are known to generally be tedious, costly and time-consuming.</div></div>\",\"PeriodicalId\":17276,\"journal\":{\"name\":\"Journal of the Indian Chemical Society\",\"volume\":\"102 5\",\"pages\":\"Article 101665\"},\"PeriodicalIF\":3.2000,\"publicationDate\":\"2025-03-12\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of the Indian Chemical Society\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0019452225001001\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of the Indian Chemical Society","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0019452225001001","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
On the accurate construction of machine learning models to predict speed of sound in liquid siloxane
The speed of sound in liquid siloxanes is a critical factor that has an important role in various scientific and industrial applications. This research puts forward artificial intelligence methods of Decision Tree, Adaptive Boosting and Ensemble Learning to create models capable of accurately predicting liquid siloxane speed of sound as a function its boiling point, molar mass, pressure and temperature parameters. An experimental dataset is utilized for this purpose, whose validity is checked via an outlier detection methodology. The findings suggested that nearly all the data is appropriate for the goal of developing a data-driven model. Additionally, it is demonstrated that molar mass if the most influential parameter, negatively affecting liquid siloxane’s speed of sound. The assessment metrics and visual analyses reveal that AdaBoost model is the greatest precise for the estimation job. It attains the greatest R2 value (0.990824) and the least MSE (1,504.315) on the test set, coupled with the lowest AARE% (3.109657). These findings emphasize AdaBoost's exceptional capability to identify intricate patterns and provide accurate predictions, particularly for task of forecasting speed of sound in liquid siloxane. The evaluation study revealed the fact that all the developed models are robust and accurate in predicting the speed of sound. The developed models can be used easily and without experimental tasks which are known to generally be tedious, costly and time-consuming.
期刊介绍:
The Journal of the Indian Chemical Society publishes original, fundamental, theorical, experimental research work of highest quality in all areas of chemistry, biochemistry, medicinal chemistry, electrochemistry, agrochemistry, chemical engineering and technology, food chemistry, environmental chemistry, etc.