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Journal : Journal of Multiscale Materials Informatics

A Machine Learning Model for Evaluation of the Corrosion Inhibition Capacity of Quinoxaline Compounds Setiyanto, Noor Ageng; Azies, Harun Al; Sudibyo, Usman; Pertiwi, Ayu; Budi, Setyo; Akrom, Muhamad
Journal of Multiscale Materials Informatics Vol. 1 No. 1 (2024): April
Publisher : Universitas Dian Nuswantoro

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.62411/jimat.v1i1.10429

Abstract

Investigating potential corrosion inhibitors via empirical research is a labor- and resource-intensive process. In this work, we evaluated various linear and non-linear algorithms as predictive models for corrosion inhibition efficiency (CIE) values using a machine learning (ML) paradigm based on the quantitative structure-property relationship (QSPR) model. In the quinoxaline compound dataset, our analysis showed that the XGBoost model performed the best predictor of other ensemble-based models. The coefficient of determination (R2), mean absolute percentage error (MAPE), and root mean squared error (RMSE) metrics were used to objectively assess this superiority. To sum up, our study offers a fresh viewpoint on the effectiveness of machine learning algorithms in determining the ability of organic compounds like quinoxaline to suppress corrosion on iron surfaces.
Layerwise Quantum Training: A Progressive Strategy for Mitigating Barren Plateaus in Quantum Neural Networks Al Azies, Harun; Akrom, Muhamad
Journal of Multiscale Materials Informatics Vol. 2 No. 1 (2025): April
Publisher : Universitas Dian Nuswantoro

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.62411/jimat.v2i1.12948

Abstract

Barren plateaus (BP) remain a core challenge in training quantum neural networks (QNN), where gradient vanishing hinders convergence. This paper proposes a layerwise quantum training (LQT) strategy, which trains parameterized quantum circuits (PQC) incrementally by optimizing each layer separately. Our approach avoids deep circuit initialization by gradually constructing the QNN. Experimental results demonstrate that LQT mitigates the onset of barren plateaus and enhances convergence rates compared to conventional and residual-based QNN, rendering it a scalable alternative for Noisy Intermediate-Scale Quantum (NISQ)-era quantum devices.
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