arXiv Machine Learning

A Comparative Analysis of Machine Learning Algorithms for Multi-Task Prediction of the Parameters of the Pectin Hydrolysis--Extraction Process

arXiv:2606. 00821v1 Announce Type: new Abstract: This study addresses the challenge of controlling a complex, multi-parameter technological process -- pectin hydrolysis--extraction -- using machine learning methods.

arXiv AI
Aug 24

Decision Tree and K-Means Analysis of Raman Spectra for Edible Oils: A Physics-Informed AI Approach

The paper presents a Raman spectroscopy and machine‑learning framework that uses t‑SNE, K‑means, Decision Trees, and NNLS‑based spectral decomposition to authenticate edible oils. In pure oils, Decision Trees achieved 100% accuracy using only four Raman variables out of 1866 features, while in matrix‑containing samples, NNLS‑based PI‑AI improved classification to about 85–86% with only four to five key variables. The approach yields highly compact, interpretable spectral representations that enable accurate oil identification with minimal data footprint.

By Amrita Shaw, Chandrasekar S. N., Sai Muthukumar V., Jhinuk Gupta, Deepak L. N. Kallepalli
arXiv Machine Learning
Jul 2

Spectroscopy Analysis with Machine Learning Regression for the Quantification of Carbon and Nitrogen Contents in Inceptisol and Oxisol Soil Types: Comparing Different Preprocessing and Validation methods as well as Feature Importance

arXiv:2607. 00834v1 Announce Type: new Abstract: Near-Infrared (NIR) spectroscopy has emerged as a promising alternative to traditional soil analysis methods, offering advantages such as speed, low cost, and non-destructive testing.

By Vinicius Herique Kieling, Guilherme Macedo Baggio, Felipe Augusto Bueno Rossi, Marco Antonio de Castro Barbosa, Dalcimar Casanova, Larissa Macedo dos Santos Tonial, Jefferson Tales Oliva
arXiv Machine Learning
Aug 14

A Multispectral Framework for the Detection of Calcium Carbide-Induced Ripening and Shelf-Life Estimation in Climacteric Fruits

arXiv:2608. 13073v1 Announce Type: new Abstract: Significant health risks are associated with the illegal, yet commonly practiced use of industrial-grade Calcium Carbide (CaC2) for ripening climacteric fruits like mango and banana, which leaves behind trace residues of arsenic and phosphorus.

By Gurbhit Chaurakoti, Harshit Kumar, Hani Kumar, Anurag Singh, Ram Asrey
arXiv AI
2d ago

Atoms to Processes: The Role of Artificial Intelligence and Machine Learning in Chemical Engineering

The article discusses how the rapid development of artificial intelligence (AI) and machine learning (ML) is transforming chemical engineering by influencing problem formulation, analysis, and solution across a wide range of applications, from atomic-scale simulations to industrial operations. It highlights recent methodological advances and representative uses, noting a shift from purely black-box models to hybrid and physics-informed frameworks that incorporate conservation laws, thermodynamic consistency, and structural constraints. These integrated approaches enhance robustness, reliability, and human-AI collaboration, ultimately amplifying rather than replacing core chemical engineering principles.

By Michael Baldea, Linda J. Broadbelt, Marianthi G. Ierapetritou, Akhilesh Jain, Ankur Kumar, Thomas A. Kwan, F\`elix Llovell, Andrew J. Medford, Ilias Mitrai, Joel Paulson, Junyi Qiao, Matthew P. Rivera, Kirti C. Sahu, Lev Sarkisov, Zachary P. Smith, Calvin Tsay, Ching-Mei Wen, Victor M. Zavala, Huacheng Zhang, Dan Zhao