Decision Tree and K-Means Analysis of Raman Spectra for Edible Oils: A Physics-Informed AI Approach
arXiv:2608.20440v1 Announce Type: new Abstract: Authentication of edible oils in processed foods is important for food quality, fraud prevention, and regulatory compliance. This study establishes an integrated Raman spectroscopy and machine-learning framework that links intrinsic spectral organization, interpretable classification, and Physics-Informed Artificial Intelligence (PI-AI). Five edible oils were investigated in pure form and within a fried-potato-chip matrix using t-SNE, K-means clustering, Decision Trees, and Non-Negative Least Squares (NNLS)-based spectral decomposition. Unsupervised analyses revealed substantially stronger class organization and separability in pure oils, whereas food-matrix effects introduced pronounced spectral overlap. Decision Trees achieved 100% classification accuracy for pure oils using only four Raman variables from the original 1866-feature spectral space. These four variables, consistently identified by both pre-pruned and post-pruned models, represented only approximately 0.21% of the available spectral information while retaining perfect test-set performance. For matrix-containing samples, NNLS-based PI-AI spectral decomposition substantially improved classification by separating oil-related signatures from paper and potato contributions. Optimized post-pruned models achieved accuracies of 86.4% and 85.4% for paper-subtracted and paper-plus-potato-subtracted datasets, respectively, while reducing the number of important Raman variables to only five and four. The compact four-feature representation further reduced the data footprint by 99.44% without loss of classification accuracy. Collectively, these findings demonstrate that accurate Raman-based oil identification can be achieved through physically meaningful, highly compact, and interpretable spectral representations, providing a promising foundation for Frugal AI, Edge AI, portable sensing, and embedded food-quality monitoring.
-->
[Submitted on 20 Aug 2026]
Title:Decision Tree and K-Means Analysis of Raman Spectra for Edible Oils: A Physics-Informed AI Approach
View a PDF of the paper titled Decision Tree and K-Means Analysis of Raman Spectra for Edible Oils: A Physics-Informed AI Approach, by Amrita Shaw and 4 other authors
View PDF
Abstract:Authentication of edible oils in processed foods is important for food quality, fraud prevention, and regulatory compliance. This study establishes an integrated Raman spectroscopy and machine-learning framework that links intrinsic spectral organization, interpretable classification, and Physics-Informed Artificial Intelligence (PI-AI). Five edible oils were investigated in pure form and within a fried-potato-chip matrix using t-SNE, K-means clustering, Decision Trees, and Non-Negative Least Squares (NNLS)-based spectral decomposition. Unsupervised analyses revealed substantially stronger class organization and separability in pure oils, whereas food-matrix effects introduced pronounced spectral overlap. Decision Trees achieved 100% classification accuracy for pure oils using only four Raman variables from the original 1866-feature spectral space. These four variables, consistently identified by both pre-pruned and post-pruned models, represented only approximately 0.21% of the available spectral information while retaining perfect test-set performance. For matrix-containing samples, NNLS-based PI-AI spectral decomposition substantially improved classification by separating oil-related signatures from paper and potato contributions. Optimized post-pruned models achieved accuracies of 86.4% and 85.4% for paper-subtracted and paper-plus-potato-subtracted datasets, respectively, while reducing the number of important Raman variables to only five and four. The compact four-feature representation further reduced the data footprint by 99.44% without loss of classification accuracy. Collectively, these findings demonstrate that accurate Raman-based oil identification can be achieved through physically meaningful, highly compact, and interpretable spectral representations, providing a promising foundation for Frugal AI, Edge AI, portable sensing, and embedded food-quality monitoring.
Comments: 36 pages, 11 figures, 2 tables, 9 supplementary figures
Subjects:
Machine Learning (cs.LG); Artificial Intelligence (cs.AI)
Cite as: arXiv:2608.20440 [cs.LG]
(or arXiv:2608.20440v1 [cs.LG] for this version)
https://doi.org/10.48550/arXiv.2608.20440
arXiv-issued DOI via DataCite (pending registration)
Submission history
From: Deepak Kallepalli Dr. [view email] [v1] Thu, 20 Aug 2026 14:07:32 UTC (1,814 KB)
Full-text links:
Access Paper:
View a PDF of the paper titled Decision Tree and K-Means Analysis of Raman Spectra for Edible Oils: A Physics-Informed AI Approach, by Amrita Shaw and 4 other authors
View PDF
view license
Current browse context:
cs.LG
new | recent | 2026-08
Change to browse by:
cs cs.AI
References & Citations
NASA ADS
Google Scholar
Semantic Scholar
Loading...
Data provided by:
Bibliographic Tools
Bibliographic and Citation Tools
Bibliographic Explorer Toggle
Bibliographic Explorer (What is the Explorer?)
Connected Papers Toggle
Connected Papers (What is Connected Papers?)
Litmaps Toggle
Litmaps (What is Litmaps?)
scite.ai Toggle
scite Smart Citations (What are Smart Citations?)
Code, Data, Media
Code, Data and Media Associated with this Article
alphaXiv Toggle
alphaXiv (What is alphaXiv?)
Links to Code Toggle
CatalyzeX Code Finder for Papers (What is CatalyzeX?)
DagsHub Toggle
DagsHub (What is DagsHub?)
GotitPub Toggle
Gotit.pub (What is GotitPub?)
Huggingface Toggle
Hugging Face (What is Huggingface?)
ScienceCast Toggle
ScienceCast (What is ScienceCast?)
Demos
Demos
Replicate Toggle
Replicate (What is Replicate?)
Spaces Toggle
Hugging Face Spaces (What is Spaces?)
Spaces Toggle
TXYZ.AI (What is TXYZ.AI?)
Related Papers
Recommenders and Search Tools
Link to Influence Flower
Influence Flower (What are Influence Flowers?)
Core recommender toggle
CORE Recommender (What is CORE?)
IArxiv recommender toggle
IArxiv Recommender (What is IArxiv?)
Author
Venue
Institution
Topic
About arXivLabs
arXivLabs: experimental projects with community collaborators
arXivLabs is a framework that allows collaborators to develop and share new arXiv features directly on our website.
Both individuals and organizations that work with arXivLabs have embraced and accepted our values of openness, community, excellence, and user data privacy. arXiv is committed to these values and only works with partners that adhere to them.
Have an idea for a project that will add value for arXiv's community? Learn more about arXivLabs.
Which authors of this paper are endorsers? | Disable MathJax (What is MathJax?)