Issue 7, 2025

Machine-learning-guided design of electroanalytical pulse waveforms

Abstract

Voltammetry is widely used to detect and quantify oxidizable or reducible species in complex environments. The neurotransmitter serotonin epitomizes an analyte that is challenging to detect in situ due to its low concentrations and the co-existence of similarly structured analytes and interferents. We developed rapid-pulse voltammetry for brain neurotransmitter monitoring due to the high information content elicited from voltage pulses. Generally, the design of voltammetry waveforms remains challenging due to prohibitively large combinatorial search spaces and a lack of design principles. Here, we illustrate how Bayesian optimization can be used to hone searches for optimized rapid pulse waveforms. Our machine-learning-guided workflow (SeroOpt) outperformed random and human-guided waveform designs and is tunable a priori to enable selective analyte detection. We interpreted the black box optimizer and found that the logic of machine-learning-guided waveform design reflected domain knowledge. Our approach is straightforward and generalizable for all single and multi-analyte problems requiring optimized electrochemical waveform solutions. Overall, SeroOpt enables data-driven exploration of the waveform design space and a new paradigm in electroanalytical method development.

Graphical abstract: Machine-learning-guided design of electroanalytical pulse waveforms

Supplementary files

Article information

Article type
Paper
Submitted
06 Jan 2025
Accepted
04 Jun 2025
First published
10 Jun 2025
This article is Open Access
Creative Commons BY-NC license

Digital Discovery, 2025,4, 1812-1832

Machine-learning-guided design of electroanalytical pulse waveforms

C. S. Movassaghi, K. A. Perrotta, M. E. Curry, A. N. Nashner, K. K. Nguyen, M. E. Wesely, M. Alcañiz Fillol, C. Liu, A. S. Meyer and A. M. Andrews, Digital Discovery, 2025, 4, 1812 DOI: 10.1039/D5DD00005J

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