Differentiable Programming of Chemical Reaction Networks

• URL: http://arxiv.org/abs/2302.02714v1
• Date: Mon, 6 Feb 2023 11:41:14 GMT
• Title: Differentiable Programming of Chemical Reaction Networks
• Authors: Alexander Mordvintsev, Ettore Randazzo, Eyvind Niklasson
• Abstract summary: Chemical reaction networks are one of the most fundamental computational substrates used by nature. We study well-mixed single-chamber systems, as well as systems with multiple chambers separated by membranes. We demonstrate that differentiable optimisation, combined with proper regularisation, can discover non-trivial sparse reaction networks.
• Score: 63.948465205530916
• License: http://creativecommons.org/licenses/by-nc-sa/4.0/
• Abstract: We present a differentiable formulation of abstract chemical reaction networks (CRNs) that can be trained to solve a variety of computational tasks. Chemical reaction networks are one of the most fundamental computational substrates used by nature. We study well-mixed single-chamber systems, as well as systems with multiple chambers separated by membranes, under mass-action kinetics. We demonstrate that differentiable optimisation, combined with proper regularisation, can discover non-trivial sparse reaction networks that can implement various sorts of oscillators and other chemical computing devices.

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