Identification of the Isotherm Function in Chromatography Using CMA-ES
Mohamed Jebalia (INRIA Futurs), Anne Auger (INRIA Futurs), Marc, Schoenauer (INRIA Futurs), Francois James (MAPMO), Marie Postel (LJLL)

TL;DR
This paper applies CMA-ES, a sophisticated evolutionary algorithm, to identify the isotherm function in chromatography, demonstrating its effectiveness on simulated and real data compared to gradient-based methods.
Contribution
It introduces the use of CMA-ES for isotherm function identification in chromatography, showcasing its advantages over traditional gradient-based strategies.
Findings
CMA-ES successfully identified parameters in simulated multi-component chromatography.
The method performed well on real data, outperforming gradient-based approaches.
Results indicate CMA-ES's robustness in handling nonlinear, complex models.
Abstract
This paper deals with the identification of the flux for a system of conservation laws in the specific example of analytic chromatography. The fundamental equations of chromatographic process are highly non linear. The state-of-the-art Evolution Strategy, CMA-ES (the Covariance Matrix Adaptation Evolution Strategy), is used to identify the parameters of the so-called isotherm function. The approach was validated on different configurations of simulated data using either one, two or three components mixtures. CMA-ES is then applied to real data cases and its results are compared to those of a gradient-based strategy.
Peer Reviews
No public reviews on file for this paper yet. If you reviewed it on a platform where reviews are public (OpenReview, ICLR, NeurIPS, ICML), you can paste yours below so the community can read it here.
Videos
No videos yet. Explain this paper in a talk, walkthrough, or lecture? Add one.
Taxonomy
TopicsAnalytical Chemistry and Chromatography · Chromatography in Natural Products · Spectroscopy and Chemometric Analyses
