Abstract
Kappa is a formal language that can be used to model systems of biochemical interactions among proteins. It offers several semantics to describe the behaviour of Kappa models at different levels of abstraction. Each Kappa model is a set of context-free rewrite rules. One way to understand the semantics of a Kappa model is to read its rules as an implicit description of a (potentially infinite) reaction network. KaDE is interpreting this definition to compile Kappa models into reaction networks (or equivalently into sets of ordinary differential equations). KaDE uses a static analysis that identifies pairs of sites that are indistinguishable from the rules point of view, to infer backward and forward bisimulations, hence reducing the size of the underlying reaction networks without having to generate them explicitly. In this paper, we describe the main current functionalities of KaDE and we give some benchmarks on case studies.
This material is based upon works partially sponsored by the Defense Advanced Research Projects Agency (DARPA) and the U. S. Army Research Office under grant number W911NF-14-1-0367, and by the ITMO Plan Cancer 2014. The views, opinions, and/or findings contained in this article are those of the authors and should not be interpreted as representing the official views or policies, either expressed or implied, of DARPA, the U.S. Department of Defense, or ITMO.
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References
Danos, V., Laneve, C.: Formal molecular biology. TCS 325(1), 69–110 (2004)
Feret, J.: Gkappa: a library to generate site graphs with graphviz. https://github.com/Kappa-Dev/GKappa
Danos, V., Feret, J., Fontana, W., Krivine, J.: Scalable simulation of cellular signaling networks. In: Shao, Z. (ed.) APLAS 2007. LNCS, vol. 4807, pp. 139–157. Springer, Heidelberg (2007). doi:10.1007/978-3-540-76637-7_10
Feret, J., Danos, V., Krivine, J., Harmer, R., Fontana, W.: Internal coarse-graining of molecular systems. PNAS 106, 6453–6458 (2009)
Danos, V., Feret, J., Fontana, W., Harmer, R., Krivine, J.: Abstracting the differential semantics of rule-based models: exact and automated model reduction. In: Jouannaud, J.P. (ed.) Proceedings of LICS 2010, pp. 362–381. IEEE Computer Society (2010)
Boutillier, P., Feret, J., Krivine, J., Kim Lý, Q.: Kasim development homepage. http://dev.executableknowledge.org
Monagan, M.B., Geddes, K.O., Heal, K.M., Labahn, G., Vorkoetter, S.M., McCarron, J., DeMarco, P.: Maple 10 Programming Guide. Maplesoft (2005)
Wolfram Research, Inc.: Mathematica (2017)
MATLAB version 9.2: The MathWorks Inc., Natick, Massachusetts (2017)
Eaton, J.W., Bateman, D., Hauberg, S., Wehbring, R.: GNU Octave Version 4.0.0 Manual: A High-Level Interactive Language for Numerical Computations. Free Software Foundation (2015)
Blinov, M., Faeder, J.R., Goldstein, B., Hlavacek, W.S.: Bionetgen: software for rule-based modeling of signal transduction based on the interactions of molecular domains. Bioinformatics 20(17), 3289–3291 (2004)
Faeder, J.R., Blinov, M.L., Hlavacek, W.S.: Rule-based modeling of biochemical systems with bionetgen. Methods Mol. Biol. 500, 113–167 (2009)
Hucka, M., Bergmann, F.T., Hoops, S., Keating, S.M., Sahle, S., Schaff, J.C., Smith, L.P., Wilkinson, D.J.: The systems biology markup language (sbml): language specification for level 3 version 1 core (2010)
Cardelli, L., Tribastone, M., Tschaikowski, M., Vandin, A.: ERODE: a tool for the evaluation and reduction of ordinary differential equations. In: Legay, A., Margaria, T. (eds.) TACAS 2017. LNCS, vol. 10206, pp. 310–328. Springer, Heidelberg (2017). doi:10.1007/978-3-662-54580-5_19
Dräger, A., Planatscher, H., Wouamba, D.M., Schröder, A., Hucka, M., Endler, L., Golebiewski, M., Müller, W., Zell, A.: SBML2LaTeX: conversion of SBML files into human-readable reports. Bioinformatics 25(11), 1455–1456 (2009)
Funahashi, A., Matsuoka, Y., Jouraku, A., Morohashi, M., Kikuchi, N., Kitano, H.: Celldesigner 3.5: A versatile modeling tool for biochemical networks. Proc. IEEE 96, 1254–1265 (2008)
Boutillier, P., Ehrhard, T., Krivine, J.: Incremental update for graph rewriting. In: Yang, H. (ed.) ESOP 2017. LNCS, vol. 10201, pp. 201–228. Springer, Heidelberg (2017). doi:10.1007/978-3-662-54434-1_8
Sneddon, M.W., Faeder, J.R., Emonet, T.: Efficient modeling, simulation and coarse-graining of biological complexity with nfsim. Nat. Meth. 8, 177–183 (2011)
Camporesi, F., Feret, J.: Formal reduction for rule-based models. ENTCS 276, 29–59 (2011). Proc. MFPS XXVII
Camporesi, F., Feret, J., Koeppl, H., Petrov, T.: Combining model reductions. ENTCS 265, 73–96 (2010). Proc. MFPS XXVI
Feret, J.: An algebraic approach for inferring and using symmetries in rule-based models. ENTCS 316, 45–65 (2015). Proc. SASB 2014
Buchholz, P.: Bisimulation relations for weighted automata. Theor. Comput. Sci. 393(1–3), 109–123 (2008)
Feret, J., Koeppl, H., Petrov, T.: Stochastic fragments: A framework for the exact reduction of the stochastic semantics of rule-based models. Int. J. Softw. Inform. 7(4), 527–604 (2013)
Buchholz, P.: Exact and ordinary lumpability in finite Markov chains. J. Appl. Probab. 31(1), 59–75 (1994)
Camporesi, F., Feret, J., Lý, K.Q.: KaDE: a tool to compile kappa rules into (reduced) ode models: Supplementary information. http://www.di.ens.fr/~feret/CMSB2017-tool-paper/
Petrov, T., Feret, J., Koeppl, H.: Reconstructing species-based dynamics from reduced stochastic rule-based models. In: Laroque, C., Himmelspach, J., Pasupathy, R., Rose, O., Uhrmacher, A.M. (eds.) Proceedings of WSC 2012, WSC (2012)
Oury, N., Pedersen, M., Petersen, R.L.: Canonical labelling of site graphs. In Petre, I. (ed.) Proceedings of CompMod 2013, EPTCS, vol. 116, pp. 13–28 (2013)
Cardelli, L., Tribastone, M., Tschaikowski, M., Vandin, A.: Forward and backward bisimulations for chemical reaction networks. In: Aceto, L., de Frutos-Escrig, D. (eds.) Proceedings of CONCUR 2015, vol. 42, pp. 226–239. LIPIcs., Schloss Dagstuhl (2015)
Cardelli, L., Tribastone, M., Tschaikowski, M., Vandin, A.: Efficient syntax-driven lumping of differential equations. In: Chechik, M., Raskin, J.-F. (eds.) TACAS 2016. LNCS, vol. 9636, pp. 93–111. Springer, Heidelberg (2016). doi:10.1007/978-3-662-49674-9_6
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Camporesi, F., Feret, J., Lý, K.Q. (2017). KaDE: A Tool to Compile Kappa Rules into (Reduced) ODE Models. In: Feret, J., Koeppl, H. (eds) Computational Methods in Systems Biology. CMSB 2017. Lecture Notes in Computer Science(), vol 10545. Springer, Cham. https://doi.org/10.1007/978-3-319-67471-1_18
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