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which can be cast into the matrix form P = WP by dening an evolution matrix
W such that
N min
X
W i;j = j;i i;j
i;j :
(6.3)
j=1
In graph theory literature L =W is often referred to as the Laplacian matrix. The
solutions of the master equation can be straightforwardly derived by diagonalizing
the evolution W; unfortunately, the latter operation is often computationally quite
expensive. One specic eigenstate can nonetheless be easily computed without need
of any diagonalization: the kernel P 0 which corresponds to the stationary condition
on the graph ( P 0 = 0). By setting the left hand side of equation (6.2) equal to 0
one nds that the components of P 0 are:
e V i
k B T
P 0;i =
;
(6.4)
Q
N 0
k=1 ! (k)
i
P
i P 0;i = 1. Note that the station-
ary probability only depends on minima and any information about the saddles is
lost. Actually the P 0;i 's correspond to the basin occupation probabilities that one
would obtain by approximating the potential at the second order in the minima and
by computing the corresponding partition function. A detailed balance condition
P 0;i i;j = P 0;j j;i holds for every connected pair i;j.
Connectivity graphs are weighted directed graphs, each connection having a
dierent weight according to the crossing direction. Simpler descriptions might
nonetheless prove useful as well. By forgetting the dynamical weights on the con-
nections one can dene two matrices discrete and W discrete that share the same
relationship as and W previously dened and such that the i;jth element of
discrete is one if the two minima are connected and 0 otherwise. The discrete Lapla-
cian matrix L discrete =W discrete is of fundamental interest because the power{law
behavior of the low frequency part of its spectral density allows to dene the spec-
tral dimension of the graph, a generalization of the Euclidean dimension for graphs
that are not dened on a regular lattice (see Sec. 6.2.2.1).
where is a normalization constant such that
6.2.1. Renormalization of the graph
As stated above, the most dynamically sensible denition of connectivity graph is
that of a graph whose nodes correspond to metastable states of the system. Thus
the graphs where each node corresponds to a minimum of the potential energy can
be considered a good approximation of the connectivity graph only in the zero tem-
perature limit. Actually, as temperature increases, regions of phase space previously
corresponding to dierent metastable states might fuse in a unique metastable state
because the energy barrier that divides them has become dynamically negligible. At
realistic temperatures real metastable states consist in conglomerates of basins of
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