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Leaderless deterministic chemical reaction networks

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Abstract

This paper answers an open question of  Chen et al. (DNA 2012: proceedings of the 18th international meeting on DNA computing and molecular programming, vol 7433 of lecture notes in computer science. Springer, Berlin, pp 25–42, 2012), who showed that a function \(f:\mathbb {N}^k\rightarrow \mathbb {N}^l\) is deterministically computable by a stochastic chemical reaction network (CRN) if and only if the graph of \(f\) is a semilinear subset of \(\mathbb {N}^{k+l}\). That construction crucially used “leaders”: the ability to start in an initial configuration with constant but non-zero counts of species other than the \(k\) species \(X_1,\ldots ,X_k\) representing the input to the function \(f\). The authors asked whether deterministic CRNs without a leader retain the same power. We answer this question affirmatively, showing that every semilinear function is deterministically computable by a CRN whose initial configuration contains only the input species \(X_1,\ldots ,X_k\), and zero counts of every other species, so long as \(f({\bf 0})={\bf 0}\). We show that this CRN completes in expected time \(O(n)\), where \(n\) is the total number of input molecules. This time bound is slower than the \(O(\log ^5 n)\) achieved in Chen et al. (2012), but faster than the \(O(n \log n)\) achieved by the direct construction of Chen et al. (2012).

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Notes

  1. Semilinear sets are defined formally in Sect. 2. Informally, they are finite unions of “periodic” sets, where the definition of “periodic” is extended in a natural way to multi-dimensional spaces such as \(\mathbb {N}^k\).

  2. It is easy to see that no leaderless CRN could reach an output stable state with positive count of output species \(Y\) from an initial state with no molecules, since it would need to contain reaction(s) of the form \(\emptyset \rightarrow A\) for some species \(A\) from which (unbounded counts of) \(Y\) could be produced.

  3. Those authors use the term “stably compute”, but we reserve the term “compute” to apply to the computation of non-Boolean functions. Also, we omit discussion of the definition of stable computation used in the population protocols literature, which employs a notion of “fair” executions; the definitions are proven equivalent in Chen et al. (2012).

  4. One possibility is to have a “dynamically” growing volume as in Soloveichik et al. (2008).

  5. Its output species could potentially be reactants so long as they are catalytic, meaning that the stoichiometry of the species as a product is at least as great as its stoichiometry as a reactant, e.g. if \(Y\) is the output species, \(X + Y \rightarrow Z + Y\) or \(A + Y \rightarrow Y + Y\).

  6. By \({\bf y}_P = O(f({\bf x}))\), we mean that there is a constant \(c\) such that \(y_P \le c f({\bf x})\) for all \({\bf x}\in \mathbb {N}^k\).

Abbreviations

CRD:

Chemical reaction decider

CRN:

Chemical reaction network

CRC:

Chemical reaction computer

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Acknowledgments

We are indebted to Anne Condon for helpful discussions and suggestions. David Doty was supported by the Molecular Programming Project under NSF Grant 0832824 and by NSF Grants CCF-1219274 and CCF-1162589.

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Doty, D., Hajiaghayi, M. Leaderless deterministic chemical reaction networks. Nat Comput 14, 213–223 (2015). https://doi.org/10.1007/s11047-014-9435-8

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