Entropy 23 01393 v2
Entropy 23 01393 v2
Review
Information Geometry, Fluctuations, Non-Equilibrium
Thermodynamics, and Geodesics in Complex Systems
Eun-jin Kim
Center for Fluid and Complex Systems, Coventry University, Priory St, Coventry CV1 5FB, UK;
[email protected]
In comparsion, the Fisher (Fisher-Rao) information [32] can be used to define a di-
mensionless distance in statistical manifolds [33,34]. For instance, the statistical distance ds
represents the number of indistinguishable states as [5,33]
dp2j ∂ ln p j ∂ ln p j α β
(ds)2 ≡ ∑ = ∑ p j (d ln p j )2 = ∑ pj dλ dλ = ∑ dλα gαβ dλβ . (1)
j
pj j j,α,β
∂λα ∂λ β α,β
∂ ln p ∂ ln p ∂ ln p ∂ ln p
Here the Fisher information metric gαβ = h ∂λα j ∂λ β j i = ∑ j p j ∂λα j ∂λ β j provides
natural (Riemannian) distinguishability metric on the space of probability distributions.
λα ’s are the parameters of the probability p j and the angular brackets represent the en-
semble average over p j . Note that Equation (1) is given for a discrete probability p j . For a
continuous Probability Density Function (PDF) p( x ) for a variable x, Equation (1) becomes
( p( x )) ∂ ln ( p( x ))
(ds)2 = dxp( x )[d ln ( p( x )]2 = ∑α,β dλα gαβ dλ β where gαβ = dx p( x ) ∂ ln∂λ
R R
α
∂λ β
.
For Gaussian processes, the Fisher metric is inversely proportional to the covariance
matrices of fluctuations in the systems. Thus, in thermodynamic equilibrium, strong
fluctuations lead to a strong correlation and a shorter distance between the neighboring
states [34,35]. Alternatively, fluctuations determine the uncertainty in measurements,
providing the resolution (the distance unit) that normalizes the distance between different
thermodynamic states.
To appreciate the meaning of fluctuation-based metric, let us consider the (equilibrium)
Maxwell-Boltzmann distribution p( Ej ) = βe− βEj for the energy state Ej
p( Ei )
= e− β(Ei −Ej ) . (2)
p( Ej )
Here β = 1/k B T is the inverse temperature; k B is the Boltzmann constant; T is the tem-
perature of the heat bath. In Equation (2), the thermal energy k B T = h Ei of the heat bath
(the width/uncertainty of the probability) provides the resolution to differentiate different
states ∆E = Ei − Ej . The smaller is the resolution (temperature), the more distinguishable
states (more accessible information in the system) there are. It agrees with the expectation
that a PDF gradient (the Fisher-information) increases with information [32].
This concept has been generalized to non-equilibrium systems [36–43], including the
utilization for controlling systems to minimize entropy production [38,40,42], the measure-
ment of the statistical distance in experiments to validate theoretical predictions [41], etc.
However, some of these works rely on the equilibrium distribution Equation (2) that is
valid only in or near equilibrium while many important phenomena in nature and labo-
ratories are often far from equilibrium with strong fluctuations, variability, heterogeneity,
or stochasticity [44–52]. Far from equilibrium, there is no (infinite-capacity) heat bath that
can maintain the system at a certain temperature, or constant fluctuation level. One of the
important questions far from equilibrium is indeed to understand how fluctuation level
β(t)−1 changes with time. Furthermore, PDFs no longer follow the Maxwell-Boltzmann
nor Gaussian distributions and can involve the contribution from (rare) events of large
amplitude fluctuations [53–62]. Therefore, the full knowledge of time-varying PDFs and
the application of information geometry to such PDFs have become of considerable interest.
Furthermore, while in equilibrium [63,64], information theoretical measures (e.g., Shan-
non information entropy) can be given thermodynamic meanings (e.g., heat), in non-
equilibrium such interpretations are not always possible and equilibrium thermodynamic
rules can break down locally (e.g., see [65,66] and references therein). Much progress
on these issues has been made by different authors (e.g., [65–82]) through the develop-
ment of information theory, stochastic thermodynamics, and non-equilibrium fluctua-
tion theorems with the help of the Fisher information [32], relative entropy [83], mutual
information [84,85], etc. Exemplary works include the Landauer’s principle which links
information loss to the ability to extract work [86,87]; the resolution of Maxwell’s de-
mon paradox [88]; black hole thermodynamics [89,90]; various thermodynamic inequal-
Entropy 2021, 23, 1393 3 of 24
ity/uncertainty relations [65,68,91–97]; and linking different research areas (e.g., non-
equilibrium processes to quantum mechanics [98–100], physics to biology [101]).
The paper aims to discuss some recent developments in the information geometric
theory of non-equilibrium processes. Since this would undoubtedly span a broad range of
topics, this paper will have to be selective and will focus on elucidating the dynamic aspect
of non-equilibrium processes and thermodynamic and physical/biological implications.
Throughout the paper, we highlight that time-varying measures (esp. variance) introduces
extra complication in various relations, in particular, between the information geometric
measure and entropy production rate. We make the efforts to make this paper self-contained
(e.g., by including the derivations of some well-known results) wherever possible.
The remainder of this paper is organized as follows. Section 2 discusses different
distances between two PDFs and the generalization for a time-dependent non-equilibrium
PDF. Section 3 compares the distancs from Section 2. Section 4 discusses key thermody-
namic relations that are useful for non-equilibrium processes. Section 5 establishes relations
between information geometric quantities (in Section 2) and thermodynamics (in Section 4).
In Section 6, we discuss the concept of a geodesic in information geometry and its impli-
cations for self-organization or designing optimal protocols for control. Conclusions are
provided in Section 7.
2. Distances/Metrics
This section discusses the distance defined between two probabilities (Section 2.1)
and along the evolution path of a time-dependent probability (Section 2.2). Examples and
comparisons of these distances are provided in Section 3.1. For illustration,
R we use a PDF
p( x, t) of a stochastic variable x and differential entropy S = − dx p( x, t) ln ( p( x, t)) by
using the unit k B = 1.
where ds is given in Equation (1). Among all possible paths, the minimum of s( p1 , p2 ) is
obtained for a particular path that optimizes the quantum distinguishability; the (Hilbert-
space) angle between the two wave functions provides such minimum distance as
Z
−1 1 1
W [ p1 , p2 ] = cos dx [ p( x, t1 )] [ p( x, t2 )] .
2 2 (4)
Equation (4) is for a pure state and has been generalized to mixed states (e.g., see [37,102]
and references therein). Note that the Wootters’ distance is related to the Hellinger dis-
tance [43].
Entropy 2021, 23, 1393 4 of 24
Relative entropy quantifies the difference between a PDF p1 and another PDF p2 . It
takes the minimum zero value for identical two PDFs p1 = p2 and becomes large as p1 and
p2 become more different. However, as it is defined in Equation (5), it is not symmetric
between p1 and p2 and does not satisfy the triangle inequality. It is thus not a metric in a
strict sense.
1h i
J ( p1 | p2 ) = K( p1 | p2 ) + K( p2 | p1 )) . (6)
2
p
While the square root of the Jensen-Shannon divergence J ( p1 | p2 ) is a metric [4,103],
J ( p1 | p2 ) itself has also been used in examining statistical complexity (e.g., see [43,104,105]).
While Equation (7) has a direct analogy to the physical distance, it has a limitation
in measuring statistical complexity due to the neglect of the stochastic nature [5]. For
instance, the Wootters’ distance in Equation (4) was shown to work better than Equation (7)
in capturing complexity in the logistic map [5].
1 1
lim 2
K[ p( x, t + dt)| p( x, t)] = lim K[ p( x, t)| p( x, t + dt)]
dt→0 ( dt ) dt→0 ( dt )2
1 1 1
Z
= lim 2
J [ p ( x, t + dt )| p ( x, t )] = dxp( x, t)(∂t ln p( x, t))2 ≡ Γ2 . (8)
dt→0 ( dt ) 2 2
Entropy 2021, 23, 1393 5 of 24
2
Z Z
Γ2 (t) = lim J [ p( x, t + dt)| p( x, t)] = dxp( x, t)(∂t ln p( x, t))2 = 4 dx (∂t q(t))2 .
dt→0 ( dt )2
(9)
√
Here, q = p, and Γ ≥ 0 by definition. We note that the last term in terms of q
in Equation (9) can be used when q = p = 0. The dimensions of Γ2 ≡ E and Γ are
(time)−2 and (time)−1 , respectively. They do not change their values under nonlinear, time-
independent transformation of variables (see Appendix A). Thus, using the unit where the
length is dimensionless, E and Γ can be viewed as the kinetic energy per mass and velocity,
respectively. For this reason, Γ was called the velocity (e.g., in [15,17]).
Note that E can be viewed as the Fisher information [32] if time is interpreted as
a parameter (e.g., [97]). However, time in classical mechanics is a passive quantity that
cannot be changed by an external control. Γ is also called the entropy production rate in
quantum mechanics [107]. However, as shown in Sections 4.1 and 4.4, the relation between
Γ and thermodynamic entropy production rate is more complicated (see Equation (28)).
Γ in Equation (9) is the information rate representing how quickly new information
is revealed as a PDF evolves in time. Here, Γ−1 = τ is the characteristic time scale of this
information change in time. To show that Γ is related to fluctuation’s smallest time scale [97],
we assume that λα ’s are the estimators (parameters) of a p( x, t) and use the Cramér-
−1
R
Rao bound on the Fisher information gαβ = dxp( x, t)∂λα [ln p( x, t)]∂λ β [ln p( x, t)] ≥ Cαβ
where C αβ ≡ hδλα δλ β i is the covariance matrix (e.g., see [32]); δλα = λα − hλα i denotes
d ln p ∂ ln p α
fluctuation. Using dt = ∂λα dλ dt then leads to
dλα dλ β dλα −1 dλ β
Γ2 = ∑ dt
gαβ
dt
≥ ∑ C
dt αβ dt
. (10)
αβ αβ
Equation (11) shows how the RMS fluctuation-normalized rate at which the parameter
λα can change is bounded above by Γ. If there is only α = 1 (λα = λδα,1 ), Equation (11) is
further simplified:
1 dλ
p ≤ Γ, (12)
h(δλ)2 i dt
clearly showing that λ normalized by its RMS fluctuations cannot change faster than the
information rate.
Finally, it is worth highlighting that Equation (9) is general and can be used even when
the parameters λα ’s and gαβ in Γ2 in Equation (10) are unknown. Examples include the
cases where PDFs are empirically inferred from experimental/observational data. Readers
are referred to Refs. [21,23,28] for examples. It is only the special case where we have a
complete set of parameters λα ’s of a PDF that we can express Γ using the Fisher information
as in Equation (10). For instance, for a Gaussian p( x, t) that is fully described by the mean
1
value h x i and variance 2β , (λ1 , λ2 ) = (h x i, β).
Entropy 2021, 23, 1393 6 of 24
metric. Thus, we sum Γ along the trajectory to define a finite distance. Specifically, starting
with an initial PDF p( x, t = 0), we integrate Γ(t) over time to obtain the dimensionless
number as a function time as
Z t
L(t) = dt1 Γ(t1 ). (13)
0
L is the information length [15–31] that quantifies the total change in information along
the trajectory of p( x, t) or the total number of statistically distinguishable states it evolves
through over time. [We note that different names (e.g., statistical length [108], or statistical
distance [97]) were also used for L.] It is important to note that unlike the Wootters’ distance
(the shortest distance among all possible paths between the two PDFs) in Equation (3)
(e.g., [5]), L(t) in Equation (13) is fixed for a given time-evolving PDF p( x, t).
By definition in Equation (13), L(t = 0) = 0 and L(t) monotonically increases with
time since Γ ≥ 0 (e.g., see Figure A2 in [22]). L(t) takes a constant value only in a stationary
state (Γ = ∂t p = 0). One of its important consequences is that when p( x, t) relaxes into a
stationary PDF in the long time limit t → ∞, Γ(t) → 0 and L(t) → L∞ as t → ∞ where L∞
is a constant depending on initial conditions and parameters. This property of L∞ was used
to understand attractor structure in a relaxation problem; specifically, Refs. [15,16,18,22,28]
calculated L∞ for different values of the mean position x0 of an initial PDF and examined
how L∞ depends on x0 . Furthermore, Γ and L were shown to be useful for quantifying
hysteresis in forward-backward processes [19], correlation and self-regulation among
different players [23,25], and predicting the occurrence of sudden events [27] and phase
transitions [23,25]. Some of these points are illustrated in Section 3.1.
dx
= f ( x, t) + ξ = −∂ x V ( x, t) + ξ. (14)
dt
Here, V ( x, t) is, in general, a time-dependent potential which can include an internal
potential and an external force; ξ is a short (delta)-correlated Gaussian noise with the
following statistical property
Here, the angular brackets represent the ensemble average over the stochastic noise ξ;
D ≥ 0 is the amplitude of ξ. It is important to note that far from equilibrium, the average
(e.g., h x (t)i) is a function of time, in general.
The exact PDFs can be obtained for the Ornstein-Uhlenbeck (O-U) process which has
V = γ2 ( x − v(t))2 and f = −γ( x − v(t)) in Equation (14). Here, v(t) is a deterministic
function of time. Specifically, for the initial Gaussian PDF p( x, 0)
r
β 0 − β 0 ( x − x0 )2
p( x, 0) = e , (16)
π
a time-dependent PDF remains Gaussian at all time:
Z r
β − β( x−h xi)2
p( x, t) = dx1 p( x, t; x1 , 0) p( x1 , 0) = e , (17)
π
1 e−2γt D (1 − e−2γt )
= + , (18)
2β(t) 2β 0 γ
Entropy 2021, 23, 1393 7 of 24
Z t
h x (t)i = x0 e−γt + γ dt1 e−γ(t−t1 ) v(t1 ). (19)
0
1
In Equations (16)–(19), x0 = h x (t = 0)i, β 0 = β(t = 0), and h(δx )2 i = = σ2 . Here,
2β
β, σ and σ2 are the inverse temperature, standard deviation, and variance, respectively;
β 0 and x0 are the values of β and h x i, respectively, at t = 0. Equation (18) shows that as
t → ∞, β(t → ∞) = 2D γ
. Note that we use both β and σ here to clarify the connections to
the previous works [15,17,22,26–28].
Figure 1. The distance against x0 between p( x, 0) and p( x, t → ∞) for the O-U process. (Figure 1
in [22]).
P1 P1 P1
x x x
P2 P2 P2
x0 x x x
(a) t=0 (b) 0 < t < ∞ (c) t=∞
Figure 2. P1 (top) and P2 (bottom) at time t = 0 in panel (a), t = (0, ∞) in panel (b), and t → ∞ in
panel (c). Note that P1 (0 < t < ∞) 6= P1 (t = 0) (= P1 (t → ∞)).
Figure 3. The distance between P( x, 0) and P( x, t → ∞) against in x0 in (a); P1 ( x, 0) and P2 ( x, t → ∞) in (b); P2 ( x, 0) and P2 ( x, t → ∞)
in (c). (Figure 4 in [22]).
For the total P, a linear relation between L∞ and x0 is seen in Figure 3a (like in
Figure 1). This linear relation is not seen in L∞ calculated from either P1 or P2 in Figure3b
or Figure 3c; a non-monotonic dependence of L∞ in Figure 3b,c is due to large-fluctuations
and strong-correlation between P1 and P2 during time-evolution for large x0 . What is
quite remarkable is that in contrast to other distances, L∞ calculated from P1 and P2 in
Figure 3b,c exhibits a very similar dependence on x0 . It means that despite very different
time-evolutions of P1 and P2 (see Figure 2), they undergo similar total change in information.
These results suggest that strong coupling between two components can be inferred from
their similar information length (see also [24,25]).
Entropy 2021, 23, 1393 9 of 24
4. Thermodynamic Relations
To elucidate the utility of information geometric theory in understanding
non-equilibrium thermodynamics, we review some of the important thermodynamic
measures of irreversibility and dissipation [112] and relate them to information geometric
measures Γ and K [29]. For illustration below, we use the model in Equations (14) and
(15) unless stated otherwise. Corresponding to Equations (14) and (15) is the following
Fokker-Planck equation [109]
∂2 p( x, t)
∂p( x, t) ∂
= − f ( x, t) p( x, t) + D = −∂ x J ( x, t), (20)
∂t ∂x ∂x2
Here, we used integration by parts in t and x. ṠT denotes the (total) entropy production rate,
which is non-negative ṠT ≥ 0 by definition, and serves as a measure of irreversibility [112].
The sign of Ṡm in Equation (22) represents the direction in which the entropy flows between
the system and environment. Specifically, Ṡm > 0 (Ṡm < 0) when the entropy flows from the
system (environment) to the environment (system). Ṡm is related to the heat flux Q = DSm
from the system to the environment. The equality ṠT = 0 holds in an equilibrium reversible
process. In this case, Ṡ = −Ṡm = − Q D , which is the usual equilibrium thermodynamic
relation. In comparison, when Ṡ = 0, ṠT = Ṡm ≥ 0.
For the O-U process with V = γ2 ( x − v(t))2 and f = −γ( x − v(t)) in Equations (14),
(17)–(19), (21) and (22) lead to (see [29] for details)
" #
1 π
S(t) = 1 + ln , (23)
2 β
( ∂ t β )2
D S˙T = = + (∂t h x i)2 = (∂t σ)2 + (∂t h x i)2 , (24)
8β3
∂t β ∂t σ
Ṡ = − = , (25)
2β σ
Ṡm = ṠT − Ṡ. (26)
h i
∂t β
Here, we used J = f + 2Dβ(δx ) p = − 2β (δx ) + ∂t h x i p, ∂ x p = −2β(δx ) p, f =
−γ( x − v(t)), ∂t h x i = h f i, 2Dβ − γ = − ∂2β
tβ
and ,
∂t β
= −2 ∂σt σ .
β
In order to relate these thermodynamical quantities ṠT and Ṡ above to the information
rate Γ, we recall that for the O-U process [15,17,26–28],
( ∂ t β )2 1h i
E = Γ2 = 2β(∂t h x i)2 + = 2 ( ∂ t σ ) 2
+ ( ∂ t h x i) 2
. (27)
2β2 σ2
Entropy 2021, 23, 1393 10 of 24
D
Γ2 = ṠT + Ṡ2 . (28)
σ2
Interestingly, Equation (28) reveals that the entropy production rate needs be normal-
ized by variance σ2 . This is because of the extensive nature of ṠT unlike Γ or Ṡ. That is, ṠT
changes its value when the variable x is rescaled by a scalar factor, say, α (> 0) as y = αx.
Furthermore, Equation (28) shows that the information rate Γ in general does not have a
simple relation to the entropy production rate (c.f., [107]).
One interesting limit of Equation (28) is the case of constant β(t) with Ṡ = 0. In that
case, Equation (24) becomes D ṠT = (∂t h x i)2 while Equations (13), (27) and (28) give us
h x (t)i − h x (t = 0)i
L(t) = , (29)
σ
1 D
Γ2 = (∂t h x i)2 = 2 ṠT . (30)
σ2 σ
Equation (29) simply states that L measures the total change in the mean value
normalized by fluctuation level σ. Equation (30) manifests a linear relation between Γ2
and ṠT when ∂t σ = 0, as invoked in the previous works (e.g., [107]). Furthermore, a
linear relation between Γ2 and ṠT in Equation (30) implies that minimizing the entropy
Rt Rt
production dt1 ṠT along the trajectory corresponds to minimizing 0 dt1 Γ2 (t1 ), which, in
turn, is equivalent to minimizing L(t) (see Section 5 for further discussions).
Finally, to demonstrate how entropy production rate and thermal bath temperature
(D) are linked to the speed of fluctuations c = σΓ [97], we rewrite Equation (28) as
h i1
2
c = σΓ = D ṠT + σ2 Ṡ2 . (31)
p
For constant variance β̇ = 0, Equation (31) gives a simple relation c = σΓ = D ṠT .
dU d
= hV i ≡ Ẇ − Q̇, (32)
dt dt
where
Z
Ẇ = dx (∂t V ) p = h∂t V i, (33)
Z Z
Q̇ = − dxV (∂t p) = dxJ f = h f ẋ i = D Ṡm . (34)
The power Ẇ represents the average rate at which the work is done to the system
because of time-varying potential; the average work during the time interval [t0 , t] is
Rt
calculated by W = t dt0 Ẇ (t0 ). On the other hand, Q̇ represents the rate of dissipated heat.
0
Equation (32) establishes the non-equilibrium thermodynamic relation U̇ = Ẇ − Q̇.
Physically, it simply means that the work done to the system Ẇ increases U while the
dissipated heat to the environment Q̇ decreases it. Equations (21), (32), and (34) permit
us to define a non-equilibrium (information) free energy F (t) = U (t) − DS(t) [92] and
its time-derivative
Ḟ = U̇ − D Ṡ = Ẇ − D ṠT , (35)
Entropy 2021, 23, 1393 11 of 24
dF dU
where Ḟ = dt and U̇ = dt . Since ṠT ≥ 0, Equation (35) leads to the following inequality
where the non-negative dissipated power (lost to the environment) ẆD is defined. Fi-
nally, the time-integral version of Equation (36) provides the bound on the average work
performed on the system as W − ∆F = WD ≥ 0 (e.g., [68]).
(e.g., see [91–94].) Here, p F (γF (t)) and p R (γR (t)) are the PDFs for the forward and reverse
processes driven by the forward γF (t) and reverse γR (t) protocols, respectively. Using
Equation (36) in Equation (37) immediately gives
d
ṠT = K[ p F (γF (t))| p R (γR (t))] ≥ 0, (38)
dt
which is a proxy for irreversibility (see [115,116] for a slightly different expression of
Equation (38)). It is useful to note that forward and reversal protocols are also used to
establish various fluctuations theorems for different dissipative measures such as entropy
production, dissipated work, etc. (see, e.g., [80] for a nice review and references therein).
However, we cannot consider forward and reversal protocols in the absence of a
model control parameter that can be prescribed as a function of time. Even in this case,
the relative entropy is useful in quantifying irreversibility through inequalities, and this is
what we focus on in the remainder of Section 4.3.
To this end, let us consider a non-equilibrium state p( x, t) which has an instantaneous
non-equilibrium stationary state ps ( x, t) and calculate the relative entropy between the two.
Here, ps ( x, t) is a steady solution of the Fokker-Planck equation ∂t ps = 0 in Equation (20)
V ( x,t)−Fs (t)
(e.g., see [29]). Specifically, one finds ps ( x, t) = e− D by treating the parameters to
be constant (being frozen to their instantaneous values at a given time). Here, V and Fs are
the potential energy and the stationary free energy, respectively. For clarity, an example of
ps ( x, t) is given in Section 4.4.
The average of ln ps (t) in the non-equilibrium state p( x, t) can be expressed as follows:
1 1
Z Z
dxp( x, t) ln ps ( x, t) = − dxp( x, t)(V ( x, t) − Fs (t)) = − (U (t) − Fs (t)). (39)
D D
Equations (35) and (39) then give us
" #
p( x, t)
Z
F (t) − Fs (t) = D dxp( x, t) ln ≡ D K[ p( x, t)| ps ( x, t)] ≥ 0. (40)
ps ( x, t)
Here, we used the fact the relative entropy is non-negative. Equation (40) explicitly
shows that non-equilibrium free energy is bounded below by the stationary one F ≥ Fs
(see also [1,92] and references therein for open Hamiltonian systems).
Equation (40) together with Equation (35) then lead to the following irreversible work
Wirr [29,92]:
Here, ∆K[ p( x, t)| ps ( x, t)] = K[ p( x, t)| ps ( x, t)] − K[ p( x, t0 )| ps ( x, t0 )], etc. The deriva-
tion of Equation (41) for open-driven Hamiltonian systems is provided in [92] (see their
Equation (38)).
On the other hand, we directly calculate the time-derivative of K[ p( x, t)| ps ( x, t)] in
V ( x,t)−Fs (t)
(40) by using ps ( x, t) = e−
R
Equation D , ṠT = Ṡ + Ṡm , dxp∂t V = Ẇ and Q̇ =
− dx ∂t pV = D Ṡm , and Wirr = W − ∆Fs :
R
Z
d 1 d 1 d
K[ p( x, t)| ps ( x, t)] = −Ṡ + dxV p − Fs = −ṠT + Ẇ − Fs . (42)
dt D dt D dt
One can see easily that equating Equation (42) to D1 [Ḟ − Ḟs ] (from Equation (40))
d
simply recovers Ẇ − dt F = D ṠT in Equation (35).
d
Finally, we obtain a differential form of Equation (41) by using Ẇirr = Ẇ − dt Fs in
Equation (42) as follows
d
Ẇirr = D ṠT + D K[ p( x, t)| ps ( x, t)]. (43)
dt
4.4. Example
We consider v(t) = ut with a constant u so that V = − γ2 ( x − ut)2 in Equation (14).
While the discussion below explicitly involves v(t), the results are general and valid for
the limiting case v(t) = 0. The case with v(t) = 0 is an example where the forward and
reversal protocols do not exist while a non-equilibrium stationary state does.
For f = −γ( x − ut), Equation (19) is simplified as follows
u
h x (t)i = x0 e−γt + ut − 1 − e−γt . (44)
γ
γ
For the non-equilibrium stationary state with fixed γ and D, β s = 2D is also constant
d
( dt Fs = 0). Therefore, we have
r
β s − β s ( x−ut)2
ps ( x, t) = e . (45)
π
Then, we can find (see [29] for details)
!
1 2 1
K[ p( x, t)| ps ( x, t)] = −1 + ln ( β/β s ) + β s (h x i − ut) + , (46)
2 2β
" #
2 1
D ṠT = −γh x0 ie−γt + u 1 − e−γt + (2βD − γ)2 , (47)
2β
2
γ
−γh x0 ie−γt + u 1 − e−γt
Q̇ = − 2βD − γ , (48)
2β
Z
Ẇ = −u dxγ( x − ut) p = −uγh x − uti = u2 1 − e−γt , (49)
d 1h i 1
K[ p( x, t)| ps ( x, t)] = − (∂t h x i)2 + (∂t σ)2 − u∂t h x i = −ṠT + Ẇ. (50)
dt D D
Here, we used Equations (23)–(26), h x i and β in Equations (44) and (18), respectively, and
Ẇ = h−γu( x − ut)i = u∂t h x i.
It is worth looking at the two interesting limits of Equations (46)–(50). First, in the
long time limit as t → ∞, the following simpler relations are found:
γ
h x i → u(t − γ−1 ), 2β → = 2β s ,
D
D ṠT = Q̇ = Ẇ = (σΓ)2 → u2 ,
Entropy 2021, 23, 1393 13 of 24
d
Ṡ → 0, K[ p( x, t)| ps ( x, t)] → 0. (51)
dt
Equation (51) illustrates how the external force v(t) = ut 6= 0 keeps the system out of
equilibrium even in the long time limit, with non-zero entropy production and dissipation.
When there is no external force u = 0, the system reaches equilibrium as t → ∞, and all
quantities in Equation (51) apart from β become zero.
The second is when the system is initially in equilibrium with β(t = 0) = β(t → ∞) =
γ
2D and h x0 i = 0 and evolve in time as it is driven out of equilibrium by u 6= 0. As u does
γ
not affect variance, β(t) = β 0 = 2D (∂t σ = 0) and Ṡ = 0 for all time. In this case, we find
Equation (52) shows that ṠT , Q̇, Γ2 , Ẇ, and K start with zero values at t = 0 and monotoni-
cally increase to their asymptotic values as t → ∞.
Finally, both cases considered above in Equations (51) and (52) have ∂t σ = 0 and thus
recover Equation (30):
D Ṡ Q̇
Γ2 = 2T = 2 . (53)
σ σ
5. Inequalities
R (e.g., hV i) and the average
Section 4 utilized the average (first moment) of a variable
of its first time derivative (h∂t V i = Ẇ) while the work W = dt Ẇ is defined by the time
integral of Ẇ = h∂t V i in Equation (33). This section aims to show that the rates at which
average quantities vary with time are bounded by fluctuations and Γ. Since the average
and time derivatives do not commute, we pay particular attention to when the average
is taken.
To this end, let us first define the microscopic free energy µ = V + D ln p (called
the chemical potential energy in [113]). In terms of µ, we have J = − p∂ x µ and hµi =
U − DS = F . On the other hand,
ṗ
∂t µ = ∂t V + D , h∂t µi = h∂t V i = Ẇ. (54)
p
h∂t µi = Ẇ means that the average rate of change in the microscopic free is the power.
From Equation (54), it follows
ṗ2
Z
h(∂t µ − ∂t V )2 i = D2 dx = D 2 Γ2 . (55)
p
Equation (55) establishes the relation between the microscopic free energy and Γ.
Next, we calculate the time-derivative of F
d d
Z Z
F = hµi = hµ̇i + dxµ ṗ = Ẇ + dxµ ṗ. (56)
dt dt
d
Using dt F = Ẇ − D ṠT in Equation (56) gives ṠT in terms of µ as
d
Z
Ẇ − F = D S˙T = − dxµ ṗ. (57)
dt
Equation (57) is to be used in Section 5.1 for linking ṠT to Γ through an inequality.
Entropy 2021, 23, 1393 14 of 24
Equation (60) (Equation (59)) establishes the inequality between entropy production
rate (heat flux) and the product of the RMS fluctuations of the microscopic free energy
(potential energy) and Γ. Since δµ = δV + D (δ ln p), we have
t ∂β
Using Equations (61)–(62) in Equations (58)–(60) together with 2Dβ − γ = − 2β and
∂t β
β = −2 ∂σt σ leads to
1
|Ṡ| ≤ √ Γ,
2
" #1
γ 2 σ2 2
| Q̇| ≤ Γσ (∂t h x i)2 + ,
2
1
2 1 2
2
D ṠT ≤ Γσ (∂t h x i) + (∂t σ ) . (63)
2
Finally, it is useful to examine the extreme cases of Equation (63). First, when ∂t σ = 0,
Equation (63) holds as an equality as D ṠT = (∂t h x i)2 = σ2 Γ2 (see Equation (27)), recovering
Equation (28) with ∂t σ = 0. Second,q when ∂t h x i = 0, Equation (63) again holds as an
equality since D ṠT = (∂t σ )2 and Γ 1 2
2 σ (∂t σ )
2 = ( ∂ t σ )2 .
Entropy 2021, 23, 1393 15 of 24
dx
= −γ(t)[ x − v(t)] + ξ, (64)
dt
where γ(t) > 0 is a damping constant; v(t) is a deterministic force which determines
the time evolution of the mean value of x; ξ is a short (delta)-correlated noise with the
time-dependent amplitude D (t) in general, satisfying Equation (15).
For the initial condition in Equation (16), the mean value h x i ≡ y(t) and β(t) are given by
Rt Z t Rt
y(t) = h x i = x0 e − 0 dt1 γ(t1 )dt1
+ dt1 e− 0 dt1 [γ(t1 )−γ(t)]dt1
γ ( t1 ) f ( t1 ) , (65)
0
Rt
e −2 dt1 γ(t1 )dt1 Z t
1 0 Rt
= h( x − h x i) i = 2
+ dt1 e−2 0 dt1 [γ(t1 )−γ(t)]dt1
2D (t1 ), (66)
2β(t) 2β 0 0
where x0 = h x (t = 0)i.
dE d dE dE d dE
0= − , 0= − (68)
dβ dt d β̇ dy dt dẏ
dβ dy
( β̇ = dt and ẏ = dt ) then gives us
1 dβ 2
2
d2 β
2 dy
− − 2β = 0, (69)
dt2 β dt dt
d dy dy
β =0→β = c, (70)
dt dt dt
Entropy 2021, 23, 1393 16 of 24
where c is constant. An alternative method of obtaining Equations (69) and (70) is provided
in Appendix C. The following equations are obtained from Equations (69) and (70) [15]
2
dβ
= −4c2 β + αβ2 , (71)
dt
1 2 α
Γ2 = β̇ + 2c2 β = , (72)
2β2 2
where α is another (integration) constant. General solutions to Equations (70) and (71) for
c 6= 0 were found in terms of hyperbolic functions as [15]
√ √
4c2 1√ 1√
α α
β(t) = cosh2 α(t − A) , y(t) = tanh α(t − A) − + B, (73)
α 2 2c 2 2c
B Γ
(z − zc )2 + σ2 = R2 , zc = √ − sR, R = , (74)
2 2c
where s denotes the sign of c so that s = 1 when c > 0 while s = −1 when c < 0.
Equation (74) is an equation of a circle for the variables z and σ with the radius R and the
center zc , defined in the upper-half plane where σ ≥ 0. Thus, geodesic motions occur along
the portions of a circle as long as c 6= 0 (as can be seen in Figure 4). A geodesic moves
on a circle with a larger radius for a larger information rate Γ and speed and vice versus.
This manifests the hyperbolic geometry in the upper half Poincaré model [13,117] where
the half-plane represents z and σ 6= 0 (see also Appendix D). The constants c, α, A, and
B determine the coordinate of the center and the radius of the circle R. These constants
should be fixed by the fixed conditions at the initial t = 0 and final time t F .
Having found the most general form of the geodesic solution for y(t) and β, the
next steps require finding the values of constant values c, α, A, B to satisfy the boundary
conditions at t = t0 and t F , and then finding appropriate γ(t), D (t), and v(t) that ensure
the geodesic solutions. This means the O-U process should be controlled by γ(t), D (t) and
v(t) to ensure a geodesic solution.
(a) (b)
2 1.87
1.5 1.86
y
1.85
β -1/2
1 β -1/2
1.84
0.5 1.83
0 1.82
0 0.2 0.4 0.6 0.8 0.2 0.4 0.6 0.8
time (β 0=0.3) y
(c) (d)
0.8 0.7
0.6
0.65
β -1/2
0.4 y
0.6
0.2
β -1/2
0 0.55
0 0.2 0.4 0.6 0.2 0.4 0.6 0.8
time (β 0=3) y
Figure 4. y and β−1/2 against time for β 0 = 0.3 and 3 in (a,c), respectively; the corresponding
geodesic circular segments in the (y, β−1/2 ) upper half-plane in (b,d), respectively. In both cases,
y0 = 56 and y F = 30
1
. (Figure 3 in [15]).
Entropy 2021, 23, 1393 17 of 24
Figure 5. Time evolution of PDFs against x: (a) β 0 = 0.3 corresponding to Figure 4a,b; (b) β 0 = 3
corresponding to Figure 4c,d. In both cases, y0 = 56 and y F = 30 1
. The initial and final PDFs are
shown by thick red and blue lines, respectively. (Figure 4a,b in [15]).
the future prediction based on the current state [124,125]), we can then interpret L as an
accumulative biological cost. Thus, geodesic would be an optimal path that minimizes such
an accumulative biological cost.
Ref [15] addressed how to utilize this idea to control populations (tumors). Specifically,
the results in Section 6.1 were applied to a nonlinear stochastic growth model (obtained
by a nonlinear change of variables of the O-U process), and the geodesic solution in
Equation (73) was used to find the optimal protocols v(t) and D (t) in reducing a large-
size tumor to a smaller one. Here, in this problem, D (t) represents the heterogeneity of
tumor cells (e.g., larger D for metastatic tumor) that can be controlled by gene reprogram-
ming while v(t) models the effect of a drug or radiation that reduces the mean tumor
population/size.
Appendix A
In this Appendix, we show the invariance of Equation (9) when x changes as y = F ( x ).
Using the conservation of the probability, we then have
−1
dx dF ( x )
p(y, t) = p( x, t) = p( x, t) , (A1)
dy dx
dF ( x ) dF ( x ) −1
Since dx is independent of time t, it follows that ∂t p(y, t) = [∂t p( x, t)] dx .
dF ( x )
Using this and dy = dx dx , we have
" #2 Z " #2
1 ∂p(y, t) 1 ∂p( x, t)
Z
dy = dx . (A2)
p(y, t) ∂t p( x, t) ∂t
Entropy 2021, 23, 1393 19 of 24
where
1 e−2γt D
= + 1 − e−2γt , (A9)
2β m 2β m0 γ
for m = 1, 2. In the limit of t → ∞, P1 and P2 in Equations (A7) and (A8) approach the same
equilibrium distribution
r
1 β m ( t → ∞ ) − β m (t→∞) x2
Pm ( x, t) = e , (A10)
2 π
where β m (t → ∞) = 2D γ
. We note that the total PDF P = P1 + P2 satisfies the single O-U
process where the initial PDF is given by the sum of Equations (A5) and (A6).
Figure 3 is shown for the fixed parameter values γ = 0.1, D = 1 and e = 0.5,
β 20 = β 10 = 0.05 = β(t → ∞) = 2Dγ
= 0.05. Different values of the initial mean position x0
of P2 are used to examine how metrics depend on x0 . As noted in Section 2.2, P1 at t = 0 is
chosen to be the same as the final equilibrium state which has the zero mean value and
inverse temperature β 10 = 0.05.
where ! !
1
2β2
0 i β
gij = , λ = . (A12)
0 2β y
Note that while gij is diagonal, the 1-st diagonal component depends on β (the
second parameter). That is, gii is not independent of j-th parameter for j 6= i in gen-
eral. From
h Equation (A12), i we can find non-zero components of connection tensor
Γijk = 1
2 ∂i g jk + ∂ j gik − ∂k gij (Γijk = gim Γ jkm )
1 1
Γ111 = − , Γ122 = −2β2 , Γ212 = Γ221 = . (A13)
β 2β
d2 λ i m dλk
A geodesic equation dt2
+ Γimk dλdt dt = 0 in terms of the Christoffel tensors becomes
Equations (A13)–(A15) give Equation (70). Note that if gii is independent of the λ j (j 6= i)
for all i and j, the Christoffel tensors have non-zero values only for Γiii , leading to a much
simpler geodesic solution (e.g., see [31]).
Finally, to appreciate the curved geometry associated with this geodesic solution,
p
we proceed to calculate the Riemann curvature tensor Rikmn = ∂m Γink + Γimp Γnk − ∂n Γimk −
p
Γinp Γmk and the Ricci tensor Rij = Rikj
k from Equation (A13) and find the following non-zero
components [15]
1
R1212 = − R1221 = − β, R2112 = − R2121 = . (A16)
4β2
Non-zero curvature tensors represent that the metric space is curved with a finite
k and curvature R:
curvature. Specifically, we find the Ricci tensor Rij = Rikj
1
R11 = − , R22 = − β, R12 = R21 = 0, (A17)
4β2
R = gij Rij = −1 (A18)
Since Gij = 8πTij where Tij is the stress-energy tensor, we see that Tij = 0 for this problem.
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