Ten virtues of structured graphs

This paper extends the invited talk by the first author about the virtues of structured graphs. The motivation behind the talk and this paper relies on our experience on the development of ADR, a formal approach for the design of styleconformant, reconfigurable software systems. ADR is based on hierarchical graphs with interfaces and it has been conceived in the attempt of reconciling software architectures and process calculi by means of graphical methods. We have tried to write an ADR agnostic paper where we raise some drawbacks of flat, unstructured graphs for the design and analysis of software systems and we argue that hierarchical, structured graphs can alleviate such drawbacks

Modeling and Reasoning over Distributed Systems using Aspect-Oriented Graph Grammars

Aspect-orientation is a relatively new paradigm that introduces abstractions to modularize the implementation of system-wide policies. It is based on a composition operation, called aspect weaving, that implicitly modifies a base system by performing related changes within the system modules. Aspect-oriented graph grammars (AOGG) extend the classic graph grammar formalism by defining aspects as sets of rule-based modifications over a base graph grammar. Despite the advantages of aspect-oriented concepts regarding modularity, the implicit nature of the aspect weaving operation may also introduce issues when reasoning about the system behavior. Since in AOGGs aspect weaving is characterized by means of rule-based rewriting, we can overcome these problems by using known analysis techniques from the graph transformation literature to study aspect composition. In this paper, we present a case study of a distributed client-server system with global policies, modeled as an aspect-oriented graph grammar, and discuss how to use the AGG tool to identify potential conflicts in aspect weaving

Inferring Chemical Reaction Patterns Using Rule Composition in Graph Grammars

Modeling molecules as undirected graphs and chemical reactions as graph rewriting operations is a natural and convenient approach tom odeling chemistry. Graph grammar rules are most naturally employed to model elementary reactions like merging, splitting, and isomerisation of molecules. It is often convenient, in particular in the analysis of larger systems, to summarize several subsequent reactions into a single composite chemical reaction. We use a generic approach for composing graph grammar rules to define a chemically useful rule compositions. We iteratively apply these rule compositions to elementary transformations in order to automatically infer complex transformation patterns. This is useful for instance to understand the net effect of complex catalytic cycles such as the Formose reaction. The automatically inferred graph grammar rule is a generic representative that also covers the overall reaction pattern of the Formose cycle, namely two carbonyl groups that can react with a bound glycolaldehyde to a second glycolaldehyde. Rule composition also can be used to study polymerization reactions as well as more complicated iterative reaction schemes. Terpenes and the polyketides, for instance, form two naturally occurring classes of compounds of utmost pharmaceutical interest that can be understood as "generalized polymers" consisting of five-carbon (isoprene) and two-carbon units, respectively

Generic Strategies for Chemical Space Exploration

Computational approaches to exploring "chemical universes", i.e., very large sets, potentially infinite sets of compounds that can be constructed by a prescribed collection of reaction mechanisms, in practice suffer from a combinatorial explosion. It quickly becomes impossible to test, for all pairs of compounds in a rapidly growing network, whether they can react with each other. More sophisticated and efficient strategies are therefore required to construct very large chemical reaction networks. Undirected labeled graphs and graph rewriting are natural models of chemical compounds and chemical reactions. Borrowing the idea of partial evaluation from functional programming, we introduce partial applications of rewrite rules. Binding substrate to rules increases the number of rules but drastically prunes the substrate sets to which it might match, resulting in dramatically reduced resource requirements. At the same time, exploration strategies can be guided, e.g. based on restrictions on the product molecules to avoid the explicit enumeration of very unlikely compounds. To this end we introduce here a generic framework for the specification of exploration strategies in graph-rewriting systems. Using key examples of complex chemical networks from sugar chemistry and the realm of metabolic networks we demonstrate the feasibility of a high-level strategy framework. The ideas presented here can not only be used for a strategy-based chemical space exploration that has close correspondence of experimental results, but are much more general. In particular, the framework can be used to emulate higher-level transformation models such as illustrated in a small puzzle game

Graphical Encoding of a Spatial Logic for the pi-Calculus

This paper extends our graph-based approach to the verification of spatial properties of π-calculus specifications. The mechanism is based on an encoding for mobile calculi where each process is mapped into a graph (with interfaces) such that the denotation is fully abstract with respect to the usual structural congruence, i.e., two processes are equivalent exactly when the corresponding encodings yield isomorphic graphs. Behavioral and structural properties of π-calculus processes expressed in a spatial logic can then be verified on the graphical encoding of a process rather than on its textual representation. In this paper we introduce a modal logic for graphs and define a translation of spatial formulae such that a process verifies a spatial formula exactly when its graphical representation verifies the translated modal graph formula

Multiple Context-Free Tree Grammars: Lexicalization and Characterization

Multiple (simple) context-free tree grammars are investigated, where "simple" means "linear and nondeleting". Every multiple context-free tree grammar that is finitely ambiguous can be lexicalized; i.e., it can be transformed into an equivalent one (generating the same tree language) in which each rule of the grammar contains a lexical symbol. Due to this transformation, the rank of the nonterminals increases at most by 1, and the multiplicity (or fan-out) of the grammar increases at most by the maximal rank of the lexical symbols; in particular, the multiplicity does not increase when all lexical symbols have rank 0. Multiple context-free tree grammars have the same tree generating power as multi-component tree adjoining grammars (provided the latter can use a root-marker). Moreover, every multi-component tree adjoining grammar that is finitely ambiguous can be lexicalized. Multiple context-free tree grammars have the same string generating power as multiple context-free (string) grammars and polynomial time parsing algorithms. A tree language can be generated by a multiple context-free tree grammar if and only if it is the image of a regular tree language under a deterministic finite-copying macro tree transducer. Multiple context-free tree grammars can be used as a synchronous translation device.Comment: 78 pages, 13 figure