SINDy-CRN: Sparse Identification of Chemical Reaction Networks from Data

Nirav Bhatt, Bayu Jayawardhana, Santiago Sanchez-Escalonilla Plaza

Abstract: This work considers an important problem of identifying the dynamics of chemical reaction networks from time-series data. We propose an approach to identify complex chemical reaction networks (CRN) from concentration data using the concept of sparse model identification. Particularly, we demonstrate challenges associated with the application of the sparse identification of nonlinear dynamics (SINDy) and its variants to data obtained from CRNs. We develop a SINDy-CRN algorithm based on the properties of CRNs for identifying governing equations of a CRN. The proposed algorithm is illustrated using a numerical simulation example.