10271 Abstracts Collection -- Verification over discrete-continuous boundaries

From 4 July 2010 to 9 July 2010, the Dagstuhl Seminar 10271 ``Verification over discrete-continuous boundaries\u27\u27 was held in Schloss Dagstuhl~--~Leibniz Center for Informatics. During the seminar, several participants presented their current research, and ongoing work and open problems were discussed. Abstracts of the presentations given during the seminar as well as abstracts of seminar results and ideas are put together in this paper. The first section describes the seminar topics and goals in general. Links to extended abstracts or full papers are provided, if available

Timing in chemical reaction networks

Chemical reaction networks (CRNs) formally model chemistry in a well-mixed solution. CRNs are widely used to describe information processing occurring in natural cellular regulatory networks, and with upcoming advances in synthetic biology, CRNs are a promising programming language for the design of artificial molecular control circuitry. Due to a formal equivalence between CRNs and a model of distributed computing known as population protocols, results transfer readily between the two models. We show that if a CRN respects finite density (at most O(n) additional molecules can be produced from n initial molecules), then starting from any dense initial configuration (all molecular species initially present have initial count Omega(n), where n is the initial molecular count and volume), then every producible species is produced in constant time with high probability. This implies that no CRN obeying the stated constraints can function as a timer, able to produce a molecule, but doing so only after a time that is an unbounded function of the input size. This has consequences regarding an open question of Angluin, Aspnes, and Eisenstat concerning the ability of population protocols to perform fast, reliable leader election and to simulate arbitrary algorithms from a uniform initial state

CRNs Exposed: A Method for the Systematic Exploration of Chemical Reaction Networks

Formal methods have enabled breakthroughs in many fields, such as in hardware verification, machine learning and biological systems. The key object of interest in systems biology, synthetic biology, and molecular programming is chemical reaction networks (CRNs) which formalizes coupled chemical reactions in a well-mixed solution. CRNs are pivotal for our understanding of biological regulatory and metabolic networks, as well as for programming engineered molecular behavior. Although it is clear that small CRNs are capable of complex dynamics and computational behavior, it remains difficult to explore the space of CRNs in search for desired functionality. We use Alloy, a tool for expressing structural constraints and behavior in software systems, to enumerate CRNs with declaratively specified properties. We show how this framework can enumerate CRNs with a variety of structural constraints including biologically motivated catalytic networks and metabolic networks, and seesaw networks motivated by DNA nanotechnology. We also use the framework to explore analog function computation in rate-independent CRNs. By computing the desired output value with stoichiometry rather than with reaction rates (in the sense that X ? Y+Y computes multiplication by 2), such CRNs are completely robust to the choice of reaction rates or rate law. We find the smallest CRNs computing the max, minmax, abs and ReLU (rectified linear unit) functions in a natural subclass of rate-independent CRNs where rate-independence follows from structural network properties

Uniformity is weaker than semi-uniformity for some membrane systems

We investigate computing models that are presented as families of finite computing devices with a uniformity condition on the entire family. Examples of such models include Boolean circuits, membrane systems, DNA computers, chemical reaction networks and tile assembly systems, and there are many others. However, in such models there are actually two distinct kinds of uniformity condition. The first is the most common and well-understood, where each input length is mapped to a single computing device (e.g. a Boolean circuit) that computes on the finite set of inputs of that length. The second, called semi-uniformity, is where each input is mapped to a computing device for that input (e.g. a circuit with the input encoded as constants). The former notion is well-known and used in Boolean circuit complexity, while the latter notion is frequently found in literature on nature-inspired computation from the past 20 years or so. Are these two notions distinct? For many models it has been found that these notions are in fact the same, in the sense that the choice of uniformity or semi-uniformity leads to characterisations of the same complexity classes. In other related work, we showed that these notions are actually distinct for certain classes of Boolean circuits. Here, we give analogous results for membrane systems by showing that certain classes of uniform membrane systems are strictly weaker than the analogous semi-uniform classes. This solves a known open problem in the theory of membrane systems. We then go on to present results towards characterising the power of these semi-uniform and uniform membrane models in terms of NL and languages reducible to the unary languages in NL, respectively.Comment: 28 pages, 1 figur

Probability 1 computation with chemical reaction networks

The computational power of stochastic chemical reaction networks (CRNs) varies significantly with the output convention and whether or not error is permitted. Focusing on probability 1 computation, we demonstrate a striking difference between stable computation that converges to a state where the output cannot change, and the notion of limit-stable computation where the output eventually stops changing with probability 1. While stable computation is known to be restricted to semilinear predicates (essentially piecewise linear), we show that limit-stable computation encompasses the set of predicates ϕ:N→{0,1} in Δ^0_2 in the arithmetical hierarchy (a superset of Turing-computable). In finite time, our construction achieves an error-correction scheme for Turing universal computation. We show an analogous characterization of the functions f:N→N computable by CRNs with probability 1, which encode their output into the count of a certain species. This work refines our understanding of the tradeoffs between error and computational power in CRNs

Complexity of Reconfiguration in Surface Chemical Reaction Networks

We analyze the computational complexity of basic reconfiguration problems for the recently introduced surface Chemical Reaction Networks (sCRNs), where ordered pairs of adjacent species nondeterministically transform into a different ordered pair of species according to a predefined set of allowed transition rules (chemical reactions). In particular, two questions that are fundamental to the simulation of sCRNs are whether a given configuration of molecules can ever transform into another given configuration, and whether a given cell can ever contain a given species, given a set of transition rules. We show that these problems can be solved in polynomial time, are NP-complete, or are PSPACE-complete in a variety of different settings, including when adjacent species just swap instead of arbitrary transformation (swap sCRNs), and when cells can change species a limited number of times (k-burnout). Most problems turn out to be at least NP-hard except with very few distinct species (2 or 3)

Leaderless deterministic chemical reaction networks

This paper answers an open question of Chen, Doty, and Soloveichik [1], who showed that a function f:N^k --> 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 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,...,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,...,X_k, and zero counts of every other species. 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 [1], but faster than the O(n log n) achieved by the direct construction of [1] (Theorem 4.1 in the latest online version of [1]), since the fast construction of that paper (Theorem 4.4) relied heavily on the use of a fast, error-prone CRN that computes arbitrary computable functions, and which crucially uses a leader.Comment: arXiv admin note: substantial text overlap with arXiv:1204.417