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[Submitted on 18 Sep 2026] Title:Hybrid Machine Learning-Assisted Raman Spectroscopy with Generative Feature Augmentation for Pharmaceutical Identification View a PDF of the paper titled Hybrid Machine Learning-Assisted Raman Spectroscopy with Generative Feature Augmentation for Pharmaceutical Identification, by Quach Thi Thai Binh and 4 other authors View PDF HTML (experimental) Abstract:Rapid and reliable identification of pharmaceutical residues is important for safeguarding public health, ensuring food safety, and enabling practical Raman-based screening. In this study, we propose HyMLRaman, a hybrid Raman spectroscopy framework that combines deep spectral feature extraction, generative models, and classical machine-learning classifiers to identify six pharmaceutical compounds, including amoxicillin, chloramphenicol, ciprofloxacin, tetracycline, ibuprofen, and paracetamol. Raman spectra are converted into spectral images and encoded with several deep neural-network backbones, among which EfficientNet-B3 yields the most effective representation. The resulting 1536-dimensional embeddings are then used to train downstream classifiers, including SVM, KNN, logistic regression, random forest, XGBoost, and ANN, using stratified 10-fold cross-validation. The hybrid EfficientNet-B3--SVM configuration achieves the strongest baseline performance, reaching 96.31% accuracy and a macro-F1 score of 96.36%, outperforming the standalone CNN baseline. To address limited-data conditions, a generative model, a DDPM-based feature augmentation, is introduced in a PCA-reduced EfficientNet-B3 latent space. The low-data ablation results show that DDPM augmentation provides selective benefits, particularly for KNN with reduced training fractions, and that its effect remains classifier-dependent. Finally, an application-level Raman Pharmaceutical Analyzer demonstrates the feasibility of embedding the trained model into an interactive Raman analysis workflow. These results suggest that HyMLRaman provides a practical and interpretable route for rapid Raman-based pharmaceutical screening. Comments: 12 pages, 7 figures, 2 tables Subjects: Machine Learning (cs.LG); Materials Science (cond-mat.mtrl-sci) Cite as: arXiv:2610.02224 [cs.LG] (or arXiv:2610.02224v1 [cs.LG] for this version) https://doi.org/10.48550/arXiv.2610.02224 arXiv-issued DOI via DataCite Submission history From: Nguyen Tuan Hung [view email] [v1] Fri, 18 Sep 2026 06:36:04 UTC (2,005 KB) Full-text links: Access Paper: View a PDF of the paper titled Hybrid Machine Learning-Assisted Raman Spectroscopy with Generative Feature Augmentation for Pharmaceutical Identification, by Quach Thi Thai Binh and 4 other authors View PDF HTML (experimental) TeX Source view license Current browse context: cs.LG new | recent | 2026-10 Change to browse by: cond-mat cond-mat.mtrl-sci cs 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?)