Is Unsupervised Dimensionality Reduction Sufficient to Decode the Complexities of Electrochemical Impedance Spectra?

• Published in: ChemElectroChem 2024-04, Vol.11 (7), p.n/a
• Main Authors: Makogon, Aleksei, Kanoufi, Frederic, Shkirskiy, Viacheslav
• Format: Article
• Language: English
• Subjects: Algorithms; capacitor; constant phase element; Data processing; Decoding; dimensionality reduction; EIS; Machine learning; Reduction; Spectra; Unsupervised learning; unsupervised machine learning
• ISSN: 2196-0216; 2196-0216
• DOI: 10.1002/celc.202300738

As electrochemical research undergoes rapid technological progression, the acquisition of substantial amounts of electrochemical impedance spectra (EIS) becomes increasingly feasible. Yet, this advancement introduces intricate challenges in data processing, automation, and interpretation. This paper delves into the sufficiency of unsupervised machine learning (ML) and in particular dimensionality reduction methods in decoding EIS complexities, examining its strengths, limitations, and potential pathways for optimization. As we navigated the intricacies of non‐linear dimensionality reduction, spotlighting t‐distributed stochastic neighbor embedding (t‐SNE) and uniform manifold approximation and projection (UMAP) algorithms, a pattern emerged: these techniques excel at categorizing divergent impedance spectra but show limitations when faced with analogous circuit configurations, especially those substituting a capacitor with a constant phase element. This observation not only underscores a limitation but also accentuates that unsupervised ML approaches, alone, may not fully unravel the nuances of EIS spectra. In the concluding section of our manuscript, we discuss the implications of this finding from a practical standpoint, particularly for electrochemists seeking to apply these methods in their work. Unsupervised machine learning cannot distinguish between spectra of similar equivalent circuits with capacitors and constant phase elements interchanged