Maximal entropy random walk improves efficiency of trapping in dendrimers.

We use maximal entropy random walk (MERW) to study the trapping problem in dendrimers modeled by Cayley trees with a deep trap fixed at the central node. We derive an explicit expression for the mean first passage time from any node to the trap, as well as an exact formula for the average trapping time (ATT), which is the average of the source-to-trap mean first passage time over all non-trap starting nodes. Based on the obtained closed-form solution for ATT, we further deduce an upper bound for the leading behavior of ATT, which is the fourth power of ln N, where N is the system size. This upper bound is much smaller than the ATT of trapping depicted by unbiased random walk in Cayley trees, the leading scaling of which is a linear function of N. These results show that MERW can substantially enhance the efficiency of trapping performed in dendrimers.

[1]  Zhongzhi Zhang,et al.  Random walks in weighted networks with a perfect trap: an application of Laplacian spectra. , 2013, Physical review. E, Statistical, nonlinear, and soft matter physics.

[2]  J. Klafter,et al.  First-passage times in complex scale-invariant media , 2007, Nature.

[3]  V. Balzani,et al.  Harvesting sunlight by artificial supramolecular antennae , 1995 .

[4]  Jeremi K. Ochab,et al.  Maximal entropy random walk in community detection , 2012, The European Physical Journal Special Topics.

[5]  Chengzhen Cai,et al.  Dynamics of Starburst Dendrimers , 1999 .

[6]  Jean-Charles Delvenne,et al.  Flow graphs: interweaving dynamics and structure , 2010, Physical review. E, Statistical, nonlinear, and soft matter physics.

[7]  W. Parry Intrinsic Markov chains , 1964 .

[8]  H. Lode,et al.  Bioactivation of self-immolative dendritic prodrugs by catalytic antibody 38C2. , 2004, Journal of the American Chemical Society.

[9]  Gilbert Strang,et al.  Trees with Cantor Eigenvalue Distribution , 2003 .

[10]  Michael R. Shortreed,et al.  Spectroscopic Evidence for Excitonic Localization in Fractal Antenna Supermolecules , 1997 .

[11]  Guanrong Chen,et al.  Random walks on weighted networks. , 2012, Physical review. E, Statistical, nonlinear, and soft matter physics.

[12]  Zhongzhi Zhang,et al.  Influence of trap location on the efficiency of trapping in dendrimers and regular hyperbranched polymers. , 2013, The Journal of chemical physics.

[13]  Jonathan L. Bentz,et al.  Influence of geometry on light harvesting in dendrimeric systems. II. nth-nearest neighbor effects and the onset of percolation , 2006 .

[14]  Chengzhen Cai,et al.  Rouse Dynamics of a Dendrimer Model in the ϑ Condition , 1997 .

[15]  Joseph Klafter,et al.  Dendrimers as light harvesting antennae , 1998 .

[16]  Heiko Rieger,et al.  Random walks on complex networks. , 2004, Physical review letters.

[17]  John J Kozak,et al.  Analytic expression for the mean time to absorption for a random walker on the Sierpinski gasket. , 2002, Physical review. E, Statistical, nonlinear, and soft matter physics.

[18]  Sidney Redner,et al.  Scaling of the first-passage time and the survival probability on exact and quasi-exact self-similar structures , 1989 .

[19]  Bin Wu,et al.  Determining mean first-passage time on a class of treelike regular fractals. , 2010, Physical review. E, Statistical, nonlinear, and soft matter physics.

[20]  Alexander Blumen,et al.  Continuous-Time Quantum Walks: Models for Coherent Transport on Complex Networks , 2011, 1101.2572.

[21]  O Bénichou,et al.  First-passage times for random walks in bounded domains. , 2005, Physical review letters.

[22]  Roey J. Amir,et al.  Self-immolative dendrimers. , 2003, Angewandte Chemie.

[23]  O. Bénichou,et al.  Global mean first-passage times of random walks on complex networks. , 2009, Physical review. E, Statistical, nonlinear, and soft matter physics.

[24]  R. Burioni,et al.  Effective target arrangement in a deterministic scale-free graph. , 2010, Physical review. E, Statistical, nonlinear, and soft matter physics.

[25]  G. Obermair,et al.  Spherical model on the Cayley tree , 1978 .

[26]  E. Agliari,et al.  Exact mean first-passage time on the T-graph. , 2008, Physical review. E, Statistical, nonlinear, and soft matter physics.

[27]  M. Dolgushev,et al.  Dynamics of Semiflexible Chains, Stars, and Dendrimers , 2009 .

[28]  John J. Kozak,et al.  Invariance relations for random walks on square-planar lattices , 2005 .

[29]  G. Raffaini,et al.  Intramolecular Dynamics of Dendrimers under Excluded-Volume Conditions , 2001 .

[30]  Jonathan L. Bentz,et al.  Influence of geometry on light harvesting in dendrimeric systems , 2003 .

[31]  Alexander Blumen,et al.  Coherent exciton transport in dendrimers and continuous-time quantum walks. , 2006, The Journal of chemical physics.

[32]  Maxim Dolgushev,et al.  Analytical model for the dynamics of semiflexible dendritic polymers. , 2012, The Journal of chemical physics.

[33]  B Kahng,et al.  First passage time for random walks in heterogeneous networks. , 2012, Physical review letters.

[34]  Zhongzhi Zhang,et al.  Optimal scale-free network with a minimum scaling of transport efficiency for random walks with a perfect trap. , 2013, The Journal of chemical physics.

[35]  Jeremi K. Ochab,et al.  Maximal-entropy random walk unifies centrality measures , 2012, Physical review. E, Statistical, nonlinear, and soft matter physics.

[36]  Raoul Kopelman,et al.  Dendrimers as Controlled Artificial Energy Antennae , 1997 .

[37]  D. McGrath,et al.  Geometric disassembly of dendrimers: dendritic amplification. , 2003, Journal of the American Chemical Society.

[38]  Bin Wu,et al.  Trapping in dendrimers and regular hyperbranched polymers. , 2012, The Journal of chemical physics.

[39]  Z. Burda,et al.  Localization of the maximal entropy random walk. , 2008, Physical review letters.

[40]  Fabio Scarabotti The Discrete Sine Transform and the Spectrum of the Finite q-ary Tree , 2005, SIAM J. Discret. Math..

[41]  O Bénichou,et al.  First-passage time distributions for subdiffusion in confined geometry. , 2007, Physical review letters.

[42]  O Bénichou,et al.  Exact calculations of first-passage quantities on recursive networks. , 2012, Physical review. E, Statistical, nonlinear, and soft matter physics.

[43]  Joseph Klafter,et al.  Geometric versus Energetic Competition in Light Harvesting by Dendrimers , 1998 .

[44]  J. Delvenne,et al.  Centrality measures and thermodynamic formalism for complex networks. , 2007, Physical review. E, Statistical, nonlinear, and soft matter physics.

[45]  E. Agliari,et al.  Random walks on deterministic scale-free networks: exact results. , 2009, Physical review. E, Statistical, nonlinear, and soft matter physics.

[46]  Jeremi K. Ochab,et al.  Exact solution for statics and dynamics of maximal-entropy random walks on Cayley trees. , 2012, Physical review. E, Statistical, nonlinear, and soft matter physics.

[47]  R. Mülhaupt,et al.  Controlled Synthesis of Hyperbranched Polyglycerols by Ring-Opening Multibranching Polymerization , 1999 .

[48]  P. Biswas,et al.  Stretch dynamics of flexible dendritic polymers in solution , 2001 .

[49]  Sidney Redner,et al.  A guide to first-passage processes , 2001 .

[50]  Michael R. Shortreed,et al.  Directed Energy Transfer Funnels in Dendrimeric Antenna Supermolecules , 1997 .

[51]  Alessandro Vespignani,et al.  Weighted evolving networks: coupling topology and weight dynamics. , 2004, Physical review letters.

[52]  Shuigeng Zhou,et al.  Exact solution for mean first-passage time on a pseudofractal scale-free web. , 2009, Physical review. E, Statistical, nonlinear, and soft matter physics.

[53]  Gunter Ochs,et al.  Complexity and demographic stability in population models. , 2004, Theoretical population biology.

[54]  Thomas Manke,et al.  Robustness and network evolution--an entropic principle , 2005 .

[55]  G. Bianconi,et al.  Shannon and von Neumann entropy of random networks with heterogeneous expected degree. , 2010, Physical review. E, Statistical, nonlinear, and soft matter physics.

[56]  H. Frey,et al.  Controlling the growth of polymer trees: concepts and perspectives for hyperbranched polymers. , 2000, Chemistry.

[57]  John J. Kozak,et al.  Invariance relations for random walks on simple cubic lattices , 2006 .

[58]  Bin Wu,et al.  Eigenvalues of normalized Laplacian matrices of fractal trees and dendrimers: analytical results and applications. , 2013, The Journal of chemical physics.

[59]  O Bénichou,et al.  Random walks and Brownian motion: a method of computation for first-passage times and related quantities in confined geometries. , 2007, Physical review. E, Statistical, nonlinear, and soft matter physics.

[60]  William A. Goddard,et al.  Starburst Dendrimers: Molecular‐Level Control of Size, Shape, Surface Chemistry, Topology, and Flexibility from Atoms to Macroscopic Matter , 1990 .

[61]  B Kahng,et al.  Effective trapping of random walkers in complex networks. , 2012, Physical review. E, Statistical, nonlinear, and soft matter physics.

[62]  Zhongzhi Zhang,et al.  Laplacian spectra of recursive treelike small-world polymer networks: analytical solutions and applications. , 2013, The Journal of chemical physics.

[63]  J. Gómez-Gardeñes,et al.  Maximal-entropy random walks in complex networks with limited information. , 2010, Physical review. E, Statistical, nonlinear, and soft matter physics.

[64]  J. H. Hetherington,et al.  Observations on the statistical iteration of matrices , 1984 .

[65]  Vito Latora,et al.  Entropy rate of diffusion processes on complex networks. , 2007, Physical review. E, Statistical, nonlinear, and soft matter physics.