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Harun Al Azies
Universitas Dian Nuswantoro
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Integration of Ensemble Stacking in Machine Learning for Thermal Stability Prediction of Metal-Organic Frameworks (MOF) Pratama, Ananta Surya; Umam, Taufiqul; Irnanda, Muhammad Diva; Nugroho, Dandy Prasetyo; Azies, Harun Al
Sainsmat : Jurnal Ilmiah Ilmu Pengetahuan Alam Vol 14, No 2 (2025): September
Publisher : Fakultas Matematika dan Ilmu Pengetahuan Alam Universitas Negeri Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35580/sainsmat142759682025

Abstract

This study aims to develop a predictive model for the thermal stability of Zinc-based Metal-Organic Frameworks (Zn-MOFs), which are crucial in high-temperature applications. The approach used is stacking ensemble learning, which integrates several base models, including Ridge Regression, Lasso Regression, K-Nearest Neighbors (KNN) Regression, Support Vector Regression (SVR), Linear Regression, RANSAC (Random Sample Consensus), Huber Regression, and Gaussian Process Regression, with the meta-model TheilSenRegressor. Experimental results indicate that the stacking model delivers high-accuracy predictions, evidenced by a Root Mean Squared Error (RMSE) of 0.0025 and a coefficient of determination (R²) of 0.9993 on the training data, and an RMSE of 0.0023 and an R² of 0.9994 on the test data, demonstrating the model's excellent generalization capability. A comparison with the Robust Regression model shows that the stacking model is more stable and consistent in providing accurate predictions for both the training and test sets. These findings suggest that the machine learning-based stacking ensemble learning approach can serve as a more efficient and faster alternative to conventional experimental methods in predicting the thermal stability of Zn-MOFs.
Co-Authors Achmad Wahid Kurniawan Achmad Wahid Kurniawan Adhitya Nugraha Agus Suharsono Akrom, Muhamad Alfa Trisnapradika, Gustina Alzami, Farrikh Ananda, Imanuel Khrisna Andrean, Muhammad Niko Anwar Efendi Nasution Aprilyani Nur Safitri Ardytha Luthfiarta Ariyanto, Noval Ayu Febriana Dwi Rositawati Ayu Pertiwi Ayu Pertiwi Bambang Widjanarko Otok Brilianti Rochmanto, Hani Brilianto, Rivaldo Mersis Budi, Setyo Dea Trishnanti Dea Trishnanti Devi Putri Isnarwaty Dikaputra, Ishak Bintang Elvira Mustikawati P.H Fahmi Amiq Fawwaz Atha Rohmatullah Firmansyah, Gustian Angga Fitriani, Fenny Gangga Anuraga Ganiswari, Syuhra Putri Guruh Fajar Shidik Gustina Alfa Trisnapradika Hani Brilianti Rochmanto Herawati, Wise Herowati, Wise Hidayat, Novianto Hidayat, Novianto Nur Irnanda, Muhammad Diva Ishak Bintang Dikaputra Isnarwaty, Devi Putri ISWAHYUDI ISWAHYUDI Junta Zeniarja Kharisma, Ni Made Kirei Megantara, Rama Aria Moch Anjas Aprihartha Muhamad Akrom Muhammad Naufal Muhammad Naufal, Muhammad Muljono Muljono Noor Ageng Setiyanto, Noor Ageng Noval Ariyanto Novianto Hidayat Nugroho, Dandy Prasetyo Nur Safitri, Aprilyani Prabowo, Wahyu Aji Eko Pratama, Ananta Surya Pravesti, Cindy Asli Pulung Nurtantio Andono Purhadi Purhadi Putra, Permana Langgeng Wicaksono Ellwid Rahman, Irfan Fauzia Rahmawati Erma Standsyah Ramadhan Rakhmat Sani Rohmatullah, Fawwaz Atha Safitri, Aprilyani Nur Sari Ayu Wulandari Setyo Budi Sri Winarno Sri Winarno Sudibyo, Usman Supriadi Rustad Trishnanti, Dea Trisnapradika, Gustina Alfa Umam, Taufiqul Usman Sudibyo Vivi Mentari Dewi Wahyu Wisnu Wardana Wise Herawati Wise Herowati Zahro, Azzula Cerliana Zain, Affa Fahmi Zami, Farrikh Al