{"paper":{"title":"A Comparative Evaluation of Sample Selection Algorithms for Multivariate Calibration in Near-Infrared Spectroscopic Analysis of Pharmaceutical Formulations","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"physics.optics","authors_text":"Aminata Sow, Fadaba Danioko, Harouna Sangar\\'e, Tidiane Diallo","submitted_at":"2026-06-20T07:16:52Z","abstract_excerpt":"The construction of robust multivariate calibration models for near-infrared (NIR) spectroscopic analysis necessitates careful partitioning of samples into training and validation sets. The selection strategy employed fundamentally influences model generalizability and predictive accuracy. This investigation presents a systematic comparative analysis of four established sample selection algorithms-Duplex, Honigs, Kennard-Stone, and Naes-applied to NIR spectral data acquired from 58 commercial paracetamol tablets. Gaussian process regression (GPR) served as the modeling framework, with model pe"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2606.21914","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2606.21914/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}