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Decomposition Techniques for Subgraph Matching

Stephane Zampelli, Martin Mann, Yves Deville, Rolf Backofen

Technical Report, Universite catholique de Louvain, 2008

In the constraint programming framework, state-of-the-art static and dynamic decomposition techniques are hard to apply to prob- lems with complete initial constraint graphs. For such problems, we pro- pose a hybrid approach of these techniques in the presence of global constraints. In particular, we solve the subgraph isomorphism problem. Further we design specific heuristics for this hard problem, exploiting its special structure to achieve decomposition. The underlying idea is to pre- compute a static heuristic on a subset of its constraint network, to follow this static ordering until a first problem decomposition is available, and to switch afterwards to a fully propagated, dynamically decomposing search. Experimental results show that, for sparse graphs, our decom- position method solves more instances than dedicated, state-of-the-art matching algorithms or standard constraint programming approaches.

Publication note:
INGI2008/03

Available:
pdf (182 KB)   arXiv:0805.1030v1   BibTeX Entry ( Zampelli:Mann:DDSgraph:INGI2008 )

Techniques de Décomposition pour l’Isomorphisme de Sous-Graphe

Stephane Zampelli, Martin Mann, Yves Deville, R. Backofen

In: Proc. of the 4th Journées Francophones de Programmation par Contraintes (JFPC'08), 2008

French article about the use of Decomposition During Search (DDS) when solving the subgraph monomorphism problem with CP. An english version of the article is available at http://arxiv.org/abs/0805.1030v1

Available:
pdf (182 KB)   english-version.pdf (182 KB)   BibTeX Entry ( ZampelliMann_DDSgraph_JFPC08 )

A Sampling Approach for the Exploration of Biopolymer Energy Landscapes

Andreas S. Richter, Sebastian Will, Rolf Backofen

In: Antonios Kyriakopoulos, Bernhard Michalke, Alexandra Graebert, Gabriele Beschnidt, Proceedings of the European Conference on Metallobiolomics (HMI Berlin, Germany, 2007), 2008, 27-38

The folding of biopolymers is crucially determined by the properties and the topology of the underlying energy landscape. A reduced representation of these energy landscapes is provided by barrier trees, which can be used to study the dynamical behavior of the folding. We presented a generic, problem-independent approach for the generation of barrier trees of discrete biopolymer models. In contrast to previous studies, the approach used does not rely on enumeration, which is limited to smaller molecules due to the amount of available memory. The algorithm has been applied to RNA and a lattice protein. The results show that the approach can be used to compute both all local minima and the exact barrier tree of an energy landscape. The presented method does not restrict the investigated conformation space to certain regions.

Available:
pdf (158 KB)   BibTeX Entry ( Richter:Will:Backofen:Metallobiolomics2007 )

Decomposition During Search for Propagation-Based Constraint Solvers

Martin Mann, Guido Tack, Sebastian Will

Technical Report, ALU Freiburg, 2007

We describe decomposition during search (DDS), an inte- gration of and/or tree search into propagation-based constraint solvers. The presented search algorithm dynamically decomposes sub-problems of a constraint satisfaction problem into independent partial problems, avoiding redundant work. The paper discusses how DDS interacts with key features that make propagation-based solvers successful: constraint propagation, especially for global constraints, and dynamic search heuristics. We have implemented DDS for the Gecode constraint programming li- brary. Two applications, solution counting in graph coloring and protein structure prediction, exemplify the benefits of DDS in practice.

Available:
pdf (376 KB)   arXiv:0712.2389   BibTeX Entry ( Mann:Tack:Will:DDSintegration:CoRR2007 )

Decomposition During Search

Martin Mann, Guido Tack, Sebastian Will

Technical Report, ALU Freiburg, 2007

We describe decomposition during search (DDS) as a novel search algorithm for counting the solutions of a CSP. DDS enhances standard tree search by dynamically decomposing sub-problems into independent problems, avoiding redundant work. The paper provides formal definitions and analysis of the introduced method. We integrate DDS into a modern constraint programming system, using Gecode as an example. Two applications, graph coloring and protein structure prediction, show the potential for huge benefits of DDS in practice.

Available:
pdf (396 KB)   BibTeX Entry ( Mann:Tack:Will:_decom_durin_searc:CPAIOR2007 )

Introduction to Bioinformatics

Rolf Backofen

In: Companion Volume to the Proceedings of the 39th Annual Meeting of the Association for Computational Linguistic (ACL), 2001

No Abstract available

Available:
BibTeX Entry ( backofen01:_introd_bioin )

Bioinformatics and Constraints

Rolf Backofen, David Gilbert

In: Constraints, 2001, 6, 141-156

This article introduces the topic of bioinformatics to an audience of computer scientists. We discuss the definition of bioinformatics, give a classification of the problem areas which bioinformatics addresses, and illustrate these in detail with examples. We highlight those areas which we believe to be suitable for the application of constraint solving techniques, or where similar techniques are already used. Finally, we give some advice for computer scientists who are considering getting involved in bioinformatics, and provide a resource list and a reading list. Keywords: bioinformatics, computational biology, molecular biology, constraints, databases, algorithms, classification, alignment, comparison, patterns, genome, DNA, RNA, proteins, metabolic pathways, regulatory networks, phylogenetic trees

Available:
pdf (91 KB)   BibTeX Entry ( Backofen:Gilbert:_bioinfo_and_constr:Constraints2001 )

A Branch-and-Bound Constraint Optimization Approach to the HPNX Structure Prediction Problem

Rolf Backofen, Sebastian Will

Technical Report 9810, Ludwig-Maximilians-Universität München, Institut für Informatik, 1998

In this paper, we describe an exact algorithm for solving the structure prediction problem for the HPNX-alphabet. To our knowledge, our algorithm is the first exact one for finding the minimal conformation of an lattice protein in a lattice model with an alphabet more complex than HP.

Available:
ps.gz (125 KB)   pdf (297 KB)   BibTeX Entry ( Bac:Wil:TR9810 )

Evolution as a Computational Engine

Rolf Backofen, Peter Clote

Bericht 9609, Institut für Informatik, LMU, December 1996

Given a finite set K of lethal genes, a starting genome x and a desired target genome y, is there a sequence of base insertions, deletions, and substitutions, which from x produces the desired genome y, and such that no intermediate genome contains a lethal gene. The main result of this paper is that, appropriately formulated, this problem is undecidable, even when the underlying alphabet has only 2 symbols (e.g. two of the bases A,C,G,T). We prove that asexual evolutionary systems form a universal computation engine, in the sense that for any reversible Turing machine M and input x, there is a finite set K of lethal genes, which can guide the computation, so that all intermediate genomes are prefixes of (encodings of) configurations in the computation of M. Since reversible Turing machines retain the history of their entire computation, and are essentially encoded by evolutionary systems, this suggests a encoding mechanism by which phylogeny recapitulates ontogeny.

Available:
ps.gz (146 KB)   BibTeX Entry ( Bac:Clo:Bericht9609-Evolcomp )

EUROTRA ET6/1: Rule Formalism and Virtual Machine Design Study

H. Alshawi, D. J. Arnold, R. Backofen, D. M. Carter, J. Lindop, K. Netter, S. G. Pulman, J. Tsujii, H. Uszkoreit

Final Report, SRI International, 1991

No Abstract available

Available:
BibTeX Entry ( Alshawi-et-al:91 )