Reachability with Restricted Reactions in Inhibitory Chemical Reaction Networks

📅 2026-04-19
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This study investigates the configuration reachability problem in chemical reaction networks (CRNs) equipped with inhibition mechanisms under restricted reaction types—specifically unimolecular, bimolecular, and deletion-only reactions. By leveraging computational complexity theory and formal modeling, it provides the first systematic characterization of the complexity boundaries for reachability under both priority-based and general inhibition models. The work reveals a sharp transition in complexity ranging from P to PSPACE-complete: for instance, deletion-only systems are mostly in P under priority inhibition but become NP-complete under general inhibition, while reachability for (1,1)-size reactions is shown to be PSPACE-complete. Furthermore, the paper develops several fixed-parameter tractable (FPT) algorithms for key cases, offering efficient solutions within specific parameterized settings.

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📝 Abstract
Chemical Reaction Networks (CRNs) are a well-established model of distributed computing characterized by quantities of molecular species that can transform or change through applications of reactions. A fundamental problem in CRNs is the reachability problem, which asks if an initial configuration of species can transition to a target configuration through an applicable sequence of reactions. It is well-known that the reachability problem in general CRNs was recently proven to be Ackermann-complete. However, if the CRN's reactions are restricted in both power, such as only deleting species (deletion-only rules) or consuming and producing an equal number of species (volume-preserving rules), and size (unimolecular or bimolecular rules), then reachability falls below Ackermann-completeness, and is even solvable in polynomial time for deletion-only systems. In this paper, we investigate reachability under this set of restricted unimolecular and bimolecular reactions, but in the Priority-Inhibitory CRN and Inhibitory CRN models. These models extend a traditional CRN by allowing some reactions to be inhibited from firing in a configuration if certain species are present; the exact inhibition behavior varies between the models. We first show that reachability with Priority iCRNs mostly remains in P for deletion-only systems, but becomes NP-complete for one case. We then show that reachability with deletion-only reactions for iCRNs is mostly NP-complete, and PSPACE-complete even for (1,1)-size (general) reactions. We also provide FPT algorithms for solving most of the reachability problems for the iCRN model. Finally, we show reachability for CRNs with states is already NP-hard for the simplest deletion-only systems, and is PSPACE-complete even for (general) (1,1)-size reactions.
Problem

Research questions and friction points this paper is trying to address.

reachability
inhibitory chemical reaction networks
restricted reactions
computational complexity
deletion-only systems
Innovation

Methods, ideas, or system contributions that make the work stand out.

Inhibitory Chemical Reaction Networks
Reachability Problem
Computational Complexity
Fixed-Parameter Tractability
Deletion-only Reactions
D
Divya Bajaj
University of Texas Rio Grande Valley
B
Bin Fu
University of Texas Rio Grande Valley
R
Ryan Knobel
University of Texas Rio Grande Valley
Austin Luchsinger
Austin Luchsinger
Assistant Professor, University of Texas Rio Grande Valley
Self-AssemblyMolecular ProgrammingMotion PlanningDistributed ComputingModels of Computation
A
Aiden Massie
University of Texas Rio Grande Valley
P
Pablo Santos
University of Texas Rio Grande Valley
R
Ramiro Santos
University of Texas Rio Grande Valley
Robert Schweller
Robert Schweller
University of Texas Rio Grande Valley
algorithmic self-assemblymolecular programmingalgorithms
E
Evan Tomai
University of Texas Rio Grande Valley
Tim Wylie
Tim Wylie
Associate Professor, University of Texas Rio Grande Valley
AlgorithmsComputational GeometrySelf-AssemblyComplexityIndexing