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Chemical proximity governs open-world infrared identification of microplastics using dual-evidence calibration
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A new computer method called SPARC-FTIR was tested on infrared spectra of plastic samples to identify two plastic types, HDPE and polypropylene, while flagging unfamiliar spectra instead of mislabeling them. It correctly accepted most known samples and rejected many unknown ones, though accuracy varied across different sample collections.
Fourier-transform infrared (FTIR) classifiers can assign familiar polymer labels to spectra outside their training domain. We developed SPARC-FTIR to couple class-conditional conformal prediction with a calibrated distance gate for binary high-density polyethylene (HDPE) and polypropylene (PP) identification with rejection. Five spectral views were combined in a training-derived principal-component representation. The two gates distinguished label-set uncertainty from departure from the known feature domain and produced four evidence states. After auditing sample identifiers, 776 spectra were retained from an open ATR-FTIR collection; 689 HDPE/PP spectra supported training, calibration and testing, while 87 non-target spectra were withheld. On the primary test partition, closed-set balanced accuracy was 100%, 124 of 139 known spectra were accepted correctly, and 37 of 87 unknown spectra were rejected. Rejection was 29.4% for low-density polyethylene, 33.3% for mixtures and 100% for the 14 remaining unknown spectra. Across 30 group-preserving splits, mean known acceptance and unknown rejection were 92.8% and 36.3%, respectively. Matched spectral-library comparisons showed different subgroup trade-offs in acceptance and rejection. Frozen-model evaluation on two additional libraries showed acquisition-dependent acceptance and rejection. The calibrated decision states provide an auditable basis for reviewing spectra within a declared HDPE/PP scope; overlapping polyolefin spectra and cross-library transfer remain the principal constraints.
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