Work

Interpretable visualizations of data spaces for classification problems

Year: 2026
Type: article
Abstract: How do classification models ‘see’ our data? Based on their success in delineating behaviors, there must be some lens through which it is easy to see the boundary between classes; however, our current set of visualization techniques makes this prospect difficult. In this work, we propose a hybrid supervised-unsupervised technique distinctly suited to visualizing the decision boundaries determined by classification problems. This method provides a human-interpretable map that can be analyzed qualitatively and quantitatively, which we demonstrate through several established examples from literature. While we discuss this method in the context of chemistry-driven problems, its application can be generalized across subfields for ‘unboxing’ the operations of machine-learning classification models.
Language: English
Open Access status: gold
Estimated APC paid: $3,000
OpenAlex ID: W7129031578
FWCI: 9.174
Cites: 45
Cited by: 3
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