THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and...

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THE FOKKER-PLANCK EQUATION

Transcript of THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and...

Page 1: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

THE FOKKER-PLANCK EQUATION

Page 2: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Existence and Uniqueness of Solutions for the FP Equation

• Consider a diffusion process on Rd with time-independent driftand diffusion coefficients. The Fokker-Planck equation is

∂p

∂t= −

d∑

j=1

∂xj(ai(x)p)+

12

d∑

i,j=1

∂2

∂xi∂xj(bij(x)p), t > 0, x ∈ Rd,

(1a)p(x, 0) = f(x), x ∈ Rd. (1b)

• Write it in non-divergence form:

∂p

∂t=

d∑

j=1

aj(x)∂p

∂xj+

12

d∑

i,j=1

bij(x)∂2p

∂xi∂xj+c(x)u, t > 0, x ∈ Rd,

(2a)p(x, 0) = f(x), x ∈ Rd, (2b)

Page 3: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Existence and Uniqueness of Solutions for the FP Equation

• where

ai(x) = −ai(x) +d∑

j=1

∂bij

∂xj, ci(x) =

12

d∑

i,j=1

∂2bij

∂xi∂xj−

d∑

i=1

∂ai

∂xi.

• The diffusion matrix is always nonnegative. We will assumethat it is actually positive, i.e. we will impose the uniformellipticity condition:

d∑

i,j=1

bij(x)ξiξj > α‖ξ‖2, ∀ ξ ∈ Rd, (3)

• Furthermore, we will assume that the coefficients a, b, c aresmooth and that they satisfy the growth conditions

‖b(x)‖ 6 M, ‖a(x)‖ 6 M(1+‖x‖), ‖c(x)‖ 6 M(1+‖x‖2). (4)

Page 4: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Existence and Uniqueness of Solutions for the FP Equation

• We will call a solution to the Cauchy problem for theFokker–Planck equation (2) a classical solution if:

i) u ∈ C2,1(Rd,R+).

ii) ∀T > 0 there exists a c > 0 such that

‖u(t, x)‖L∞(0,T ) 6 ceα‖x‖2

iii) limt→0 u(t, x) = f(x).

Page 5: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Existence and Uniqueness of Solutions for the FP Equation

Theorem 1. Assume that conditions (3) and (4) are satisfied, andassume that |f | 6 ceα‖x‖2 . Then there exists a unique classicalsolution to the Cauchy problem for the Fokker–Planck equation.Furthermore, there exist positive constants K, δ so that

|p|, |pt|, ‖∇p‖, ‖D2p‖ 6 Kt(−n+2)/2 exp(− 1

2tδ‖x‖2

).

• This estimate enables us to multiply the Fokker-Planckequation by monomials xn and then to integrate over Rd andto integrate by parts.

Page 6: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

The FP equation as a conservation law

• We can define the probability current to be the vector whoseith component is

Ji := ai(x)p− 12

d∑

j=1

∂xj

(bij(x)p

).

• The Fokker–Planck equation can be written as a continuityequation:

∂p

∂t+∇ · J = 0.

• Integrating the FP equation over Rd and integrating by partson the right hand side of the equation we obtain

d

dt

Rd

p(x, t) dx = 0.

• Consequently:

‖p(·, t)‖L1(Rd) = ‖p(·, 0)‖L1(Rd) = 1.

Page 7: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Examples of Diffusion Processes

• Set a(t, x) ≡ 0, b(t, x) ≡ 2D > 0. The Fokker-Planck equationbecomes:

∂p

∂t= D

∂2p

∂x2, p(x, s|y, s) = δ(x− y).

• This is the heat equation, which is the Fokker-Planck equationfor Brownian motion (Einstein, 1905). Its solution is

pW (x, t|y, s) =1√

2πD(t− s)exp

(− (x− s)2

2D(t− s)

).

Page 8: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Examples of Diffusion Processes

• Assume that the initial distribution is

pW (x, s|y, s) = W (y, s).

• The solution of the Fokker-Planck equation for Brownianmotion with this initial distribution is

PW (x, t) =∫

p(x, t|y, s)W (y, s) dy.

• The Gaussian distribution is the fundamental solution(Green’s function) of the heat equation (i.e. the Fokker-Planckequation for Brownian motion).

Page 9: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Examples of Diffusion Processes

• Set a(t, x) = −αx, b(t, x) ≡ 2D > 0:

∂p

∂t= α

∂(xp)∂x

+ D∂2p

∂x2.

• This is the Fokker-Planck equation for the Ornstein-Uhlenbeckprocess (Ornstein-Uhlenbeck, 1930). Its solution is

pOU (x, t|y, s) =√

α

2πD(1− e−2α(t−s))exp

(−α(x− e−α(t−s)y)2

2D(1− e−2α(t−s))

).

• Proof: take the Fourier transform in x, use the method ofcharacteristics and take the inverse Fourier transform.

Page 10: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Examples of Diffusion Processes

• Set y = 0, s = 0. Notice that

limα→0

pOU (x, t) = pW (x, t).

• Thus, in the limit where the friction coefficient goes to 0, werecover distribution function of BM from the DF of the OUprocesses.

• Notice also that

limt→+∞

pOU (x, t) =√

α

2πDexp

(−αx2

2D

).

• Thus, the Ornstein-Uhlenbeck process is an ergodic Markovprocess. Its invariant measure is Gaussian.

• We can calculate all moments of the OU process.

Page 11: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Examples of Diffusion Processes

• Define the nth moment of the OU process:

Mn =∫

Rxnp(x, t) dx, n = 0, 1, 2, . . . .

• Let n = 0. We integrate the FP equation over R to obtain:∫

∂p

∂t= α

∫∂(xp)∂x

+ D

∫∂2p

∂x2= 0,

• after an integration by parts and using the fact that p(x, t)decays sufficiently fast at infinity. Consequently:

d

dtM0 = 0 ⇒ M0(t) = M0(0) = 1.

• In other words:d

dt‖p‖L1(R) = 0 ⇒ p(x, t) = p(x, t = 0).

• Consequently: probability is conserved.

Page 12: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Examples of Diffusion Processes

• Let n = 1. We multiply the FP equation for the OU process byx, integrate over R and perform and integration by parts toobtain:

d

dtM1 = −αM1.

• Consequently, the first moment converges exponentially fastto 0:

M1(t) = e−αtM1(0).

Page 13: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Examples of Diffusion Processes

• Let now n > 2. We multiply the FP equation for the OUprocess by xn and integrate by parts (once on the first term onthe RHS and twice on the second) to obtain:

d

dt

∫xnp = −αn

∫xnp + Dn(n− 1)

∫xn−2p.

• Or, equivalently:

d

dtMn = −αnMn + Dn(n− 1)Mn−2, n > 2.

• This is a first order linear inhomogeneous differential equation.We can solve it using the variation of constants formula:

Mn(t) = e−αntMn(0) + Dn(n− 1)∫ t

0

e−αn(t−s)Mn−2(s) ds.

Page 14: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Examples of Diffusion Processes

• The stationary moments of the OU process are:

〈xn〉OU =√

α

2πD

Rxne−

αx22D dx

= 1.3 . . . (n− 1)

(Dα

)n/2, n even,

0, n odd.

• We have thatlim

t→∞Mn(t) = 〈xn〉OU .

• If the initial conditions of the OU process are stationary, then:

Mn(t) = Mn(0) = 〈xn〉OU .

Page 15: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Examples of Diffusion Processes

• set a(x) = µx, b(x) = 12σx2. This is the geometric

Brownian motion. The generator of this process is

L = µx∂

∂x+

σ2x2

2∂2

∂x2.

• Notice that this operator is not uniformly elliptic.

• The Fokker-Planck equation of the geometric Brownian motionis:

∂p

∂t= − ∂

∂x(µx) +

∂2

∂x2

(σ2x2

2p

).

Page 16: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Examples of Diffusion Processes

• We can easily obtain an equation for the nth moment of thegeometric Brownian motion:

d

dtMn =

(µn +

σ2

2n(n− 1)

)Mn, n > 2.

• The solution of this equation is

Mn(t) = e(µ+(n−1) σ22 )ntMn(0), n > 2

• andM1(t) = eµtM1(0).

• Notice that the nth moment might diverge as t →∞,depending on the values of µ and σ:

limt→∞

Mn(t) =

0, σ2

2 < − µn−1 ,

Mn(0), σ2

2 = − µn−1 ,

+∞, σ2

2 > − µn−1 .

Page 17: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Gradient Flows

• Let V (x) = 12αx2. The generator of the OU process can be

written as:L = −∂xV ∂x + D∂2

x.

• Consider diffusion processes with a potential V (x), notnecessarily quadratic:

L = −∇V (x) · ∇+ D∆. (5)

• This is a gradient flow perturbed by noise whose strength isD = kBT where kB is Boltzmann’s constant and T theabsolute temperature.

• The corresponding stochastic differential equation is

dXt = −∇V (Xt) dt +√

2D dWt.

Page 18: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Gradient Flows

• The corresponding FP equation is:

∂p

∂t= ∇ · (∇V p) + D∆p. (6)

• It is not possible to calculate the time dependent solution ofthis equation for an arbitrary potential. We can, however,alwas calculate the stationary solution.

Page 19: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Gradient Flows

Proposition 1. Assume that V (x) is smooth and that

e−V (x)/D ∈ L1(Rd). (7)

Then the Markov process with generator (5) is ergodic. The uniqueinvariant distribution is the Gibbs distribution

p(x) =1Z

e−V (x)/D (8)

where the normalization factor Z is the partition function

Z =∫

Rd

e−V (x)/D dx.

Page 20: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Gradient Flows

• The fact that the Gibbs distribution is an invariant distributionfollows by direct substitution. Uniqueness follows from a PDEsargument (see discussion below).

• It is more convenient to ”normalize” the solution of theFokker-Planck equation wrt the invariant distribution.

Proposition 2. Let p(x, t) be the solution of the Fokker-Planckequation (6), assume that (7) holds and let ρ(x) be the Gibbsdistribution (8). Define h(x, t) through

p(x, t) = h(x, t)ρ(x).

Then the function h satisfies the backward Kolmogorovequation:

∂h

∂t= −∇V · ∇h + D∆h, h(x, 0) = p(x, 0)ρ−1(x). (9)

Page 21: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Gradient Flows

Proof. The initial condition follows from the definition of h. Wecalculate the gradient and Laplacian of p:

∇p = ρ∇h− ρhD−1∇V

and

∆p = ρ∆h− 2ρD−1∇V · ∇h + hD−1∆V ρ + h|∇V |2D−2ρ.

We substitute these formulas into the FP equation to obtain

ρ∂h

∂t= ρ

(−∇V · ∇h + D∆h

),

from which the claim follows.

Page 22: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Gradient Flows

• Consequently, in order to study properties of solutions to theFP equation, it is sufficient to study the backward equation (9).

• The generator L is self-adjoint, in the right function space.

• We define the weighted L2 space L2ρ:

L2ρ =

f |

Rd

|f |2ρ(x) dx < ∞,

• where ρ(x) is the Gibbs distribution. This is a Hilbert spacewith inner product

(f, h)ρ =∫

Rd

fhρ(x) dx.

Page 23: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Gradient Flows

Proposition 3. Assume that V (x) is a smooth potential andassume that condition (7) holds. Then the operator

L = −∇V (x) · ∇+ D∆

is self-adjoint in L2ρ. Furthermore, it is non-positive, its kernel

consists of constants.

Proof. Let f, ∈ C20 (Rd). We calculate

(Lf, h)ρ =∫

Rd

(−∇V · ∇+ D∆)fhρ dx

=∫

Rd

(∇V · ∇f)hρ dx−D

Rd

∇f∇hρ dx−D

Rd

∇fh∇ρ dx

= −D

Rd

∇f · ∇hρ dx,

from which self-adjointness follows.

Page 24: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Gradient Flows

If we set f = h in the above equation we get

(Lf, f)ρ = −D‖∇f‖2ρ,

which shows that L is non-positive.

Clearly, constants are in the null space of L. Assume thatf ∈ N (L). Then, from the above equation we get

0 = −D‖∇f‖2ρ,

and, consequently, f is a constant.

Remark 1. The expression (−Lf, f)ρ is called the Dirichlet formof the operator L. In the case of a gradient flow, it takes the form

(−Lf, f)ρ = D‖∇f‖2ρ. (10)

Page 25: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Gradient Flows

• Using the properties of the generator L we can show that thesolution of the Fokker-Planck equation converges to the Gibbsdistribution exponentially fast.

• For this we need the following result.

Proposition 4. Assume that the potential V satisfies the convexitycondition

D2V > λI.

Then the corresponding Gibbs measure satisfies the Poincareinequality with constant λ:

Rd

fρ = 0 ⇒ ‖∇f‖ρ >√

λ‖f‖ρ. (11)

Page 26: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Gradient Flows

Theorem 2. Assume that p(x, 0) ∈ L2(eV/D). Then the solutionp(x, t) of the Fokker-Planck equation (6) converges to the Gibbsdistribution exponentially fast:

‖p(·, t)− Z−1e−V ‖ρ−1 6 e−λDt‖p(·, 0)− Z−1e−V ‖ρ−1 . (12)

Proof. We Use (9), (10) and (11) to calculate

− d

dt‖(h− 1)‖2ρ = −2

(∂h

∂t, h− 1

)

ρ

= −2 (Lh, h− 1)ρ

= (−L(h− 1), h− 1)ρ = 2D‖∇(h− 1)‖ρ

> 2Dλ‖h− 1‖2ρ.Our assumption on p(·, 0) implies that h(·, 0) ∈ L2

ρ. Consequently,the above calculation shows that

‖h(·, t)− 1‖ρ 6 e−λDt‖H(·, 0)− 1‖ρ.

This, and the definition of h, p = ρh, lead to (12).

Page 27: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Gradient Flows

• The assumption∫

Rd

|p(x, 0)|2Z−1eV/D < ∞

• is very restrictive (think of the case where V = x2).

• The function space L(ρ−1) = L2(e−V/D) in which we proveconvergence is not the right space to use. Since p(·, t) ∈ L1,ideally we would like to prove exponentially fast convergence inL1.

• We can prove convergence in L1 using the theory oflogarithmic Sobolev inequalities. In fact, we can also proveconvergence in relative entropy:

H(p|ρV ) :=∫

Rd

p ln(

p

ρV

)dx.

Page 28: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Gradient Flows

• The relative entropy norm controls the L1 norm:

‖ρ1 − ρ2‖L1 6 CH(ρ1|ρ2)

• Using a logarithmic Sobolev inequality, we can proveexponentially fast convergence to equilibrium, assuming onlythat the relative entropy of the initial conditions is finite.

Theorem 3. Let p denote the solution of the Fokker–Planckequation (6) where the potential is smooth and uniformly convex.Assume that the the initial conditions satisfy

H(p(·, 0)|ρV ) < ∞.

Then p converges to the Gibbs distribution exponentially fast inrelative entropy:

H(p(·, t)|ρV ) 6 e−λDtH(p(·, 0)|ρV ).

Page 29: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Gradient Flows

• Convergence to equilibrium for kinetic equations, both linearand non-linear (e.g., the Boltzmann equation) has been studiedextensively in the last decade.

• It has been recognized that the relative entropy plays a veryimportant role.

• For more information see

• On the trend to equilibrium for the Fokker-Planck equation: aninterplay between physics and functional analysis by P.A.Markowich and C. Villani, 1999.

Page 30: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Eigenfunction Expansions

• Consider the generator of a gradient stochastic flow with auniformly convex potential

L = −∇V · ∇+ D∆. (13)

• We know that

i) L is a non-positive self-adjoint operator on L2ρ.

ii) It has a spectral gap:

(Lf, f)ρ 6 −Dλ‖f‖2ρwhere λ is the Poincare constant of the potential V .

• The above imply that we can study the spectral problem for−L:

−Lfn = λnfn, n = 0, 1, . . .

Page 31: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Eigenfunction Expansions

• The operator −L has real, discrete spectrum with

0 = λ0 < λ1 < λ2 < . . .

• Furthermore, the eigenfunctions fjinftyj=1 form an orthonormal

basis in L2ρ: we can express every element of L2

ρ in the form ofa generalized Fourier series:

φ =∞∑

n=0

φnfn, φn = (φ, fn)ρ (14)

• with (fn, fm)ρ = δnm.

• This enables us to solve the time dependent Fokker–Planckequation in terms of an eigenfunction expansion.

• Consider the backward Kolmogorov equation (9).

• We assume that the initial conditions h0(x) = φ(x) ∈ L2ρ and

consequently we can expand it in the form (14).

Page 32: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Eigenfunction Expansions

• We look for a solution of (9) in the form

h(x, t) =∞∑

n=0

hn(t)fn(x).

• We substitute this expansion into the backward Kolmogorovequation:

∂h

∂t=

∞∑n=0

hnfn = L( ∞∑

n=0

hnfn

)(15)

=∞∑

n=0

−λnhnfn. (16)

• We multiply this equation by fm, integrate wrt the Gibbsmeasure and use the orthonormality of the eigenfunctions toobtain the sequence of equations

hn = −λnhn, n = 0, 1,

Page 33: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Eigenfunction Expansions

• The solution is

h0(t) = φ0, hn(t) = e−λntφn, n = 1, 2, . . .

• Notice that

1 =∫

Rd

p(x, 0) dx =∫

Rd

p(x, t) dx

=∫

Rd

h(x, t)Z−1eβV dx = (h, 1)ρ = (φ, 1)ρ

= φ0.

Page 34: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Eigenfunction Expansions

• Consequently, the solution of the backward Kolmogorovequation is

h(x, t) = 1 +∞∑

n=1

e−λntφnfn.

• This expansion, together with the fact that all eigenvalues arepositive (n > 1), shows that the solution of the backwardKolmogorov equation converges to 1 exponentially fast.

• The solution of the Fokker–Planck equation is

p(x, t) = Z−1e−βV (x)

(1 +

∞∑n=1

e−λntφnfn

).

Page 35: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Self-adjointness

• The Fokker–Planck operator of a general diffusion process isnot self-adjoint in general.

• In fact, it is self-adjoint if and only if the drift term is thegradient of a potential (Nelson, ≈ 1960). This is also true ininfinite dimensions (Stochastic PDEs).

• Markov Processes whose generator is a self-adjoint operator arecalled reversible: for all t ∈ [0, T ] Xt and XT−t have the sametransition probability (when Xt is statinary).

• Reversibility is equivalent to the invariant measure being aGibbs measure.

• See Thermodynamics of the general duffusion process:time-reversibility and entropy production, H. Qian, M. Qian, X.Tang, J. Stat. Phys., 107, (5/6), 2002, pp. 1129–1141.

Page 36: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Reduction to a Schrodinger Equation

• We can study the Fokker-Planck equation for a gradient flowby mapping it to a Schrodinger equation.

Proposition 5. The Fokker–Planck operator for a gradient flowcan be written in the self-adjoint form

∂p

∂t= D∇ ·

(e−V/D∇

(eV/Dp

)). (17)

Define now ψ(x, t) = eV/2Dp(x, t). Then ψ solves the PDE

∂ψ

∂t= D∆ψ − U(x)ψ, U(x) :=

|∇V |24D

− ∆V

2. (18)

Let H := −D∆ + U . Then L∗ and H have the same eigenvalues.The nth eigenfunction φn of L∗ and the nth eigenfunction ψn of Hare associated through the transformation

ψn(x) = φn(x) exp(

V (x)2D

).

Page 37: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Reduction to a Schrodinger Equation

Remarks

i) From equation (17) shows that the FP operator can be writtenin the form

L∗· = D∇ ·(e−V/D∇

(eV/D·

)).

ii) The operator that appears on the right hand side of eqn. (18)has the form of a Schrodinger operator:

−H = −D∆ + U(x).

iii) The spectral problem for the FP operator can be transformedinto the spectral problem for a Schrodinger operator. We canthus use all the available results from quantum mechanics tostudy the FP equation and the associated SDE.

iv) In particular, the weak noise asymptotics D ¿ 1 is equivalentto the semiclassical approximation from quantum mechanics.

Page 38: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Reduction to a Schrodinger Equation

Proof of Prop. 5. We calculate

D∇ ·(e−V/D∇

(eV/Df

))= D∇ ·

(e−V/D

(D−1∇V f +∇f

)eV/D

)

= ∇ · (∇V f + D∇f) = L∗f.

Consider now the eigenvalue problem for the FP operator:

−L∗φn = λnφn.

Set φn = ψn exp(− 1

2DV). We calculate −L∗φn:

−L∗φn = −D∇ ·(e−V/D∇

(eV/Dψne−V/2D

))

= −D∇ ·(

e−V/D

(∇ψn +

∇V

2Dψn

)eV/2D

)

=(−D∆ψn +

(−|∇V |2

4D+

∆V

2D

)ψn

)e−V/2D = e−V/2DHψn.

From this we conclude that e−V/2DHψn = λnψne−V/2D from whichthe equivalence between the two eigenvalue problems follows.

Page 39: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Reduction to a Schrodinger Equation

Remarks

i) We can rewrite the Schrodinger operator in the form

H = DA∗A, A = ∇+∇U

2D, A∗ = −∇+

∇U

2D.

ii) These are creation and annihilation operators. They canalso be written in the form

A· = e−U/2D∇(eU/2D·

), A∗· = eU/2D∇

(e−U/2D·

)

iii) The forward the backward Kolmogorov operators have thesame eigenvalues. Their eigenfunctions are related through

φBn = φF

n exp (−V/D) ,

where φBn and φF

n denote the eigenfunctions of the backwardand forward operators, respectively.

Page 40: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

The Ornstein–Uhlenbeck Process and Hermite Polynomials

• The generator of the OU process is

L = −yd

dy+ D

d2

dy2(19)

• The OU process is an ergodic Markov process whose uniqueinvariant measure is absolutely continuous with respect to theLebesgue measure on R with density ρ(y) ∈ C∞(R)

ρ(y) =1√2πD

e−y2

2D .

• Let L2ρ denote the closure of C∞ functions with respect to the

norm‖f‖2ρ =

Rf(y)2ρ(y) dy.

• The space L2ρ is a Hilbert space with inner product

(f, g)ρ =∫

Rf(y)g(y)ρ(y) dy.

Page 41: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

The Ornstein–Uhlenbeck Process and Hermite Polynomials

• Consider the eigenvalue problem for L:

−Lfn = λnfn.

• The operator L has discrete spectrum in L2ρ:

λn = n, n ∈ N .

• The corresponding eigenfunctions are the normalized Hermitepolynomials:

fn(y) =1√n!

Hn

(y√D

), (20)

where

Hn(y) = (−1)ney2

2dn

dyn

(e−

y2

2

).

Page 42: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

The Ornstein–Uhlenbeck Process and Hermite Polynomials

• The first few Hermite polynomials are:

H0(y) = 1,

H1(y) = y,

H2(y) = y2 − 1,

H3(y) = y3 − 3y,

H4(y) = y4 − 3y2 + 3,

H5(y) = y5 − 10y3 + 15y.

• Hn is a polynomial of degree n.

• Only odd (even) powers appear in Hn when n is odd (even).

Page 43: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

The Ornstein–Uhlenbeck Process and Hermite Polynomials

Lemma 1. The eigenfunctions fn(y)∞n=1 of the generator of theOU process L satisfy the following properties.

i) They form an orthonormal set in L2ρ:

(fn, fm)ρ = δnm.

ii) fn(y) : n ∈ N is an orthonormal basis in L2ρ.

iii) Define the creation and annihilation operators on C1(R) by

A+φ(y) =1√

D(n + 1)

(−D

dy(y) + yφ(y)

), y ∈ R

and

A−φ(y) =

√D

n

dy(y).

ThenA+fn = fn+1 and A−fn = fn−1. (21)

Page 44: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

The Ornstein–Uhlenbeck Process and Hermite Polynomials

iv) The eigenfunctions fn satisfy the following recurrence relation

yfn(y) =√

Dnfn−1(y) +√

D(n + 1)fn+1(y), n > 1. (22)

v) The function

H(y; λ) = eλy−λ22

is a generating function for the Hermite polynomials. Inparticular

H

(y√D

; λ)

=∞∑

n=0

λn

√n!

fn(y), λ ∈ C, y ∈ R.

Page 45: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

The Klein-Kramers-Chandrasekhar Equation

• Consider a diffusion process in two dimensions for the variablesq (position) and momentum p. The generator of this Markovprocess is

L = p · ∇q −∇qV∇p + γ(−p∇p + D∆p). (23)

• The L2(dpdq)-adjoint is

L∗ρ = −p · ∇qρ−∇qV · ∇pρ + γ (∇p(pρ) + D∆pρ) .

• The corresponding FP equation is:

∂p

∂t= L∗p.

• The corresponding stochastic differential equations is theLangevin equation

Xt = −∇V (Xt)− γXt +√

2γDWt. (24)

• This is Newton’s equation perturbed by dissipation and noise.

Page 46: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

The Klein-Kramers-Chandrasekhar Equation

• The Klein-Kramers-Chandrasekhar equation was first derivedby Kramers in 1923 and was studied by Kramers in his famouspaper ”Brownian motion in a field of force and the diffusionmodel of chemical reactions”, Physica 7(1940), pp. 284-304.

• Notice that L∗ is not a uniformly elliptic operator: there aresecond order derivatives only with respect to p and not q. Thisis an example of a degenerate elliptic operator. It is, however,hypoelliptic: we can still prove existence and uniqueness ofsolutions for the FP equation, and obtain estimates on thesolution.

• It is not possible to obtain the solution of the FP equation foran arbitrary potential.

• We can calculate the (unique normalized) solution of thestationary Fokker-Planck equation.

Page 47: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

The Klein-Kramers-Chandrasekhar Equation

Proposition 6. Assume that V (x) is smooth and that

e−V (x)/D ∈ L1(Rd).

Then the Markov process with generator (23) is ergodic. The uniqueinvariant distribution is the Maxwell-Boltzmann distribution

ρ(p, q) =1Z

e−βH(p,q) (25)

where

H(p, q) =12‖p‖2 + V (q)

is the Hamiltonian, β = (kBT )−1 is the inverse temperatureand the normalization factor Z is the partition function

Z =∫

R2d

e−βH(p,q) dpdq.

Page 48: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

The Klein-Kramers-Chandrasekhar Equation

• It is possible to obtain rates of convergence in either a weightedL2-norm or the relative entropy norm.

H(p(·, t)|ρ) 6 Ce−αt.

• The proof of this result is very complicated, since the generatorL is degenerate and non-selfadjoint.

• See F. Herau and F. Nier, Isotropic hypoellipticity and trend toequilibrium for the Fokker-Planck equation with a high-degreepotential, Arch. Ration. Mech. Anal., 171(2),(2004), 151–218.

Page 49: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

The Klein-Kramers-Chandrasekhar Equation

• The phase-space Fokker-Planck equation can be written in theform

∂ρ

∂t+ p · ∇qρ−∇qV · ∇pρ = Q(ρ, fB)

• where the collision operator has the form

Q(ρ, fB) = D∇ · (fB∇(f−1

B ρ))

.

• The Fokker-Planck equation has a similar structure to theBoltzmann equation (the basic equation in the kinetic theory ofgases), with the difference that the collision operator for theFP equation is linear.

• Convergence of solutions of the Boltzmann equation to theMaxwell-Boltzmann distribution has also been proved. See

• L. Desvillettes and C. Villani: On the trend to globalequilibrium for spatially inhomogeneous kinetic systems: theBoltzmann equation. Invent. Math. 159, 2 (2005), 245-316.

Page 50: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

The Klein-Kramers-Chandrasekhar Equation

• We can study the backward and forward Kolmogorov equationsfor (24) by expanding the solution with respect to the Hermitebasis.

• We consider the problem in 1d. We set D = 1. The generatorof the process is:

L = p∂q − V ′(q)∂p + γ(−p∂p + ∂2

p

).

=: L1 + γL0,

• where

L0 := −p∂p + ∂2p and L1 := p∂q − V ′(q)∂p.

• The backward Kolmogorov equation is

∂h

∂t= Lh. (26)

Page 51: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

The Klein-Kramers-Chandrasekhar Equation

• The solution should be an element of the weighted L2-space

L2ρ =

f |

R2|f |2Z−1e−βH(p,q) dpdq < ∞

.

• We notice that the invariant measure of our Markov process isa product measure:

e−βH(p,q) = e−β 12 |p|2e−βV (q).

• The space L2(e−β 12 |p|2 dp) is spanned by the Hermite

polynomials. Consequently, we can expand the solution of (26)into the basis of Hermite basis:

h(p, q, t) =∞∑

n=0

hn(q, t)fn(p), (27)

• where fn(p) = 1/√

n!Hn(p).

Page 52: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

The Klein-Kramers-Chandrasekhar Equation

• Our plan is to substitute (27) into (26) and obtain a sequenceof equations for the coefficients hn(q, t).

• We have:

L0h = L0

∞∑n=0

hnfn = −∞∑

n=0

nhnfn

• FurthermoreL1h = −∂qV ∂ph + p∂qh.

• We calculate each term on the right hand side of the aboveequation separately. For this we will need the formulas

∂pfn =√

nfn−1 and pfn =√

nfn−1 +√

n + 1fn+1.

Page 53: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

The Klein-Kramers-Chandrasekhar Equation

p∂qh = p∂q

∞∑n=0

hnfn = p∂ph0 +∞∑

n=1

∂qhnpfn

= ∂qh0f1 +∞∑

n=1

∂qhn

(√nfn−1 +

√n + 1fn+1

)

=∞∑

n=0

(√

n + 1∂qhn+1 +√

n∂qhn−1)fn

• with h−1 ≡ 0.

• Furthermore

∂qV ∂ph =∞∑

n=0

∂qV hn∂pfn =∞∑

n=0

∂qV hn

√nfn−1

=∞∑

n=0

∂qV hn+1

√n + 1fn.

Page 54: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

The Klein-Kramers-Chandrasekhar Equation

• Consequently:

Lh = L1 + γL1h

=∞∑

n=0

(− γnhn +√

n + 1∂qhn+1

+√

n∂qhn−1 +√

n + 1∂qV hn+1

)fn

• Using the orthonormality of the eigenfunctions of L0 we obtainthe following set of equations which determine hn(q, t)∞n=0.

hn = −γnhn +√

n + 1∂qhn+1

+√

n∂qhn−1 +√

n + 1∂qV hn+1, n = 0, 1, . . .

• This is set of equations is usually called the Brinkmanhierarchy (1956).

Page 55: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

The Klein-Kramers-Chandrasekhar Equation

• We can use this approach to develop a numerical method forsolving the Klein-Kramers equation.

• For this we need to expand each coefficient hn in anappropriate basis with respect to q.

• Obvious choices are other the Hermite basis (polynomialpotentials) or the standard Fourier basis (periodic potentials).

• We will do this for the case of periodic potentials.

• The resulting method is usually called the continued fractionexpansion. See Risken (1989).

Page 56: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

The Klein-Kramers-Chandrasekhar Equation

• The Hermite expansion of the distribution function wrt to thevelocity is used in the study of various kinetic equations(including the Boltzmann equation). It was initiated by Gradin the late 40’s.

• It quite often used in the approximate calculation of transportcoefficients (e.g. diffusion coefficient).

• This expansion can be justified rigorously for theFokker-Planck equation. See

• J. Meyer and J. Schroter, Comments on the Grad Procedure forthe Fokker-Planck Equation, J. Stat. Phys. 32(1) pp.53-69(1983).

Page 57: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Boundary conditions for the Fokker–Planck equation

• So far we have been studying the FP equation on Rd.

• The boundary condition was that the solution decayssufficiently fast at infinity.

• For ergodic diffusion processes this is equivalent to requiringthat the solution of the backward Kolmogorov equation is anelement of L2(µ) where µ is the invariant measure of theprocess.

• We can also study the FP equation in a bounded domain withappropriate boundary conditions.

• We can have absorbing, reflecting or periodic boundaryconditions.

Page 58: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Boundary conditions for the Fokker–Planck equation

• Consider the FP equation posed in Ω ⊂ Rd where Ω is abounded domain with smooth boundary.

• Let J denote the probability current and let n be the unitnormal vector to the surface.

i) We specify reflecting boundary conditions by setting

n · J(x, t) = 0, on ∂Ω.

ii) We specify absorbing boundary conditions by setting

p(x, t) = 0, on ∂Ω.

Page 59: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

Boundary conditions for the Fokker–Planck equation

iii) When the coefficient of the FP equation are periodic functions,we might also want to consider periodic boundary conditions,i.e. the solution of the FP equation is periodic in x with periodequal to that of the coefficients.

• Reflecting BC correspond to the case where a particle whichevolves according to the SDE corresponding to the FP equationgets reflected at the boundary.

• Absorbing BC correspond to the case where a particle whichevolves according to the SDE corresponding to the FP equationgets absorbed at the boundary.

• There is a complete classification of boundary conditions in onedimension, the Feller classification: the BC can be regular,exit, entrance and natural.

Page 60: THE FOKKER-PLANCK EQUATION - Imperial College …pavl/lec_fokker_planck.pdf · Existence and Uniqueness of Solutions for the FP Equation † Consider a difiusion process on Rd with

REFERENCES

• A lot of information about methods for solving theFokker-Planck equation can be found in Risken TheFokker-Planck equation, Springer, Berlin 1989.

• See also Gardiner Handbook of Stochastic Methods,Horsthemke and Lefever Noise Induced Transitions.

• For a mathematically rigorous treatment see the books ofFriedman, Arnold on SDES.