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STRESS2 Short course Heavy-tailed stochastic processes and fractional ADEs for modeling particle transport Rina Schumer Assistant Research Professor Division of Hydrologic Sciences Desert Research Institute Reno, NV

Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

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Page 1: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

STRESS2 Short course

Heavy-tailed stochastic processes and fractional ADEsfor modeling particle transport

Rina SchumerAssistant Research Professor

Division of Hydrologic SciencesDesert Research Institute

Reno, NV

Page 2: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Purpose

• introduce concepts STRESS working group is using to model transport processes at the Earth surface

• focus on concepts, “basic”mathematical principals

Page 3: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Stochastic Model

• Physical (or non-physical) transport processes are deterministic, but we conceptualize them as random.

• Use probability theory to predict the outcome of random processes.

• Emergent properties at long time

Page 4: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

What is a particle?

• molecule • sediment grain• solute• parcel of water• price of a stock• fish• drunken sailor

Page 5: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Stochastic Process• A stochastic process { X(t)} is a

collection of random variables.

• X(t) tells the state of the process at time t. – Could be # of people on a bus, could be

the location of a particle

• describes the evolution of some physical process through time

Page 6: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Stochastic Processes

• Discrete-time process– T, the set of all t, is countable

we want to design a discrete-time process that fits our conceptual understanding of a transport process

{ , 0,1,...}nX n =

Page 7: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Stochastic Processes

• Continuous-time process– T is an interval on the real line

– describe long-time behavior of discrete stochastic processes

– some have governing PDEs with solutions, allowing us to model transport processes

– some are scale-invariant…

{ ( ), 0}X t t ≥

Page 8: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Classical Models

• Random walk, Brownian motion, diffusion, advection-dispersion equation, “normal” transport, Gaussian transport, Fickian or Boltzmannscaling

Page 9: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

/

1

( ) ( )t t

nn

X t S n YΔ

=

= =∑

t=time

nY

1Y2Y

3Y

particle location at time t, X(t), is the sum of the lengths, Yn, of a bunch of jumpsDISCRETE PROCESS

Random Walk (drunken sailor)

Page 10: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Probability density of the location of a single particle at time t

location of cloud of particles at time t=

Page 11: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Random Walk/

1( )

t t

nn

X t YΔ

=

= ∑

To get the long term behavior of this process, we will let Δx and Δt go to 0.

This must be done in a non-trivial way (what if Δx= Δt and Δt 0?). i.e. we have to scale things properly

Page 12: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Law of large numbersfor sums of iid random variables

1 2 0nY Y Yn

μ+ +…+

− →

sample mean converges to the theoretical average

What’s the deviation between these two terms?

Page 13: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Classical Central Limit Theoremfor sums of iid random variables

( )1 212

0,1( )

nY Y Y n Nn

μ

σ

+ +…+ −→

finite variance:iY ∼

( )12

1 2 ( ) 0,1nY Y Y n n Nμ σ+ +…+ ≈ +or… rearrange to find

Add up a bunch of jumps lengths (subject to a few conditions) and we know about the likelihood of particle location– use this to take scaling limit of random walk

as n →∞

Page 14: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

A closer look at the CLT:

( )1 212

0,1( )

nY Y Y n Nn

μ

σ

+ +…+ −→

finite variance:iY ∼

as n →∞

1. center2. expand time scale

3. contract spatial scale

Page 15: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Classical Central Limit Theorem

2

Let and 2

v Dt tμ σ

= =Δ Δ

( )12

1 2 0,1nY Y Y n n Nμ σ+ +…+ ≈ +

( )12

1 2 2 0,1nY Y Y tv Dt N+ +…+ ≈ +

Let n tt

( )12

1 2 0,1nt tY Y Y Nt tμ σ

⎛ ⎞⎟⎜+ +…+ ≈ + ⎟⎜ ⎟⎜⎝ ⎠Δ Δ

Page 16: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

( )12

1 2 0,1nY Y Y t t Nt t

μ σ+ +…+ ≈ +

Δ Δ

location of a particle at time t

/

1

( )t t

nn

X t YΔ

=

= ∑

Converges in distribution to a Gaussian density

2

Let and 2

v Dt tμ σ

= =Δ Δ

( )12

1 2 2 0,1nY Y Y tv Dt N+ +…+ ≈ +

2( )2*21( ) ( , )

2 *2

x vtDtX t C x t e

Dtπ

−−

→ =

a Brownian motion

To get the long term behavior of this process, we will rescale and let Δx and Δt go to 0.

Page 17: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Random walk simulation

courtesy of M.M. Meerschaert

Page 18: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Longer time scale

courtesy of M.M. Meerschaert

Page 19: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Scaling limit: Brownian motion

no jumps.courtesy of M.M. Meerschaert

Page 20: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Defn: Brownian MotionA stochastic processis a Brownian motion if1) X(0)=02) has stationary and

independent, finite varianceincrements

3) for every t>0, X(t) is normally distributed with mean 0 and variance

{ ( ), 0}X t t ≥

2 .tσ

{ ( ), 0}X t t ≥

Page 21: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Important points

1. The discrete stochastic process known as a random walk converges in the scaling limit to a

continuous time stochastic process called a Brownian motion

2. If a particle is making stationary, independent, finite variance jumps (increments), then the

random location of a particle at time t is governed by a Gaussian density.

Page 22: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Fick’s Law Fourier’s Law d

CF Dx

∂= −

F = fluxDd = diffusion coeff.C = concentration

Another perspective on the classical model

flow per unit area per unit time

Page 23: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

1-D ADE Derivationmass flux conservation of mass

x x e eCF v n C n Dx∂

= −∂

xe

FCnt x

∂∂− =

∂ ∂

x xC Cv C Dt x x

∂ ⎡ ∂ ∂ ⎤⎛ ⎞= − +⎜ ⎟⎢ ⎥∂ ∂ ∂⎝ ⎠⎣ ⎦

2

2

C C Cv Dt x x

∂ ∂ ∂= − +

∂ ∂ ∂

Page 24: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Green’s function solution to ADE2

2

C C Cv Dt x x

∂ ∂ ∂= − +

∂ ∂ ∂I.C.: C(x,0)=δ(0)pulse

2ˆ ( , ) ˆ ˆ( ) ( , ) ( ) ( , )C k t v ik C k t D ik C k t

t∂

= − +∂

solve for C ( )2( ) ( )ˆ ( , ) vt ik Dt ikC k t e − +=

2( )2*21( , )

2 *2

x vtDtC x t e

Dtπ

−−

=deterministic solution

to a PDE is a probability density!

Fourier transform

invert

Page 25: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Green’s functionSolutions to non-homogeneous, linear equations of the form

( ) ( )LC x F x= −linear operator e.g. source

function2

2v Dt x x∂ ∂ ∂+ −

∂ ∂ ∂

The Green’s function G(x) satisfies

( ; ') ( ')LG x x x xδ= − − source function is a pulseGreen’s function solution

The solution to (1) is given by

( ) ( ; ') ( ') 'C x G x x F x dx= ∫

(1)

For any source function F(x), solve (1) by convolving with the Green’s function soln.

Page 26: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

plotting C(x,t)

snapshot in time breakthrough curve

x

C(x,5)

let t=5

C(20,t)

let x=20

tshows what plume looks like in space

Time evolution of concentration at a point

Page 27: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Classical ADE2

2 C CDt x

∂ ∂=

∂ ∂

where CvD

===

concentration

average linear velocity

dispersion coefficient

Gaussian solutions

Cvx

∂− +

Page 28: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

limiting stochastic process

governing equation

solution

Brownian motion

ADE

Gaussian density

finite-mean waiting time distribution

infinite-mean waiting time distribution

infinite-variance jump

length distribution

finite-variance jump

length distribution

?

?

?infinite variance

=heavy tails

randomwalks

Page 29: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

What are heavy tails?Heavy tails refer to the rate of decay of the upper (lower)

end of a probability density/distribution function

)20()|(| <<≈> − ααCrrYP n

For a random walk with heavy tailed particle jumps

10-1

10-2

10-3

10-4

10-5

10-6

10-7

1

10 100110-1

1.8

1.2

2.0 (Gaussian)

α =

1+α

1

RE

LA

TIV

E C

ON

CE

NT

RA

TIO

N

x - μ

Page 30: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Probability distributions are described by their PDF and CDF

x

p(x)

xp(

X<x

)0 0

1

1

Area=1

Probability Density Function (PDF)

Cumulative Distribution Function (CDF)

Page 31: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Exponential

CDF: F(x)=1PDF: f(x)=F'(x)= e

x

x

e λ

λλ

Pareto

1

CDF: F(x)=1PDF: f(x)=F'(x)=

xx

α

α

α

α

− −

( )0, 0x λ≥ > ( )0, 0x α≥ >

Important distributions for today….

Classic example of a distribution with exponential tails. In the scaling limit, the sum of any iid finite variance

jumps will get you to the same place

Classic example of a distribution with power-law tails. In the scaling limit, the

sum of any iid infinite variance jumps will get you to the same

place as the sum of paretoRVs with α<2.

Page 32: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Moments of power-law distributions

)20()|(| <<≈> − ααCrrYP n

if the tails of a CDF

decay as a power law…

…and α<2, then the distribution has infinite variance:

…and α<1, then the distribution has infinite mean:

2 ( )x f x dx = ∞∫( )xf x dx = ∞∫

Page 33: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

#sample

variance Finite variance distribution

Sample variance converges to distribution variance

N(0,1)

0

0.5

1

1.5

2

2.5

3

3.5

4

0 1000 2000 3000 4000 5000

# samples

sam

ple

varia

nce

1 -1.5930532 -0.434536 0.671083 -0.491251 0.4265574 -1.856679 0.5429775 -1.090159 0.4072366 0.8048414 0.9261757 -1.191165 0.796348 -0.808973 0.6826689 -0.13856 0.650859

10 -2.15E-02 0.63242411 0.5654999 0.71068212 0.23143 0.69942313 1.4470152 0.93334414 5.63E-01 0.92139415 -0.238272 0.85573616 -0.296313 0.79869817 -1.124477 0.79030518 0.8937207 0.82751419 0.2429965 0.7951520 -0.176049 0.75349721 1.0456461 0.79399422 1.4459283 0.87555323 1.0233089 0.89070924 0.445491 0.86229725 1.209562 0.8879626 -0.50042 0.86279127 1.5313799 0.91664928 2.43E-01 0.88396329 0.8615621 0.87444630 0.3940238 0.84738531 -1.417363 0.89336932 -0.802727 0.887308

Page 34: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

#sample

variance1 2.0173732 -1.08446 4.810673 1.98119 3.1701394 1.793982 2.2825995 -0.81369 2.5045336 0.414722 2.0257287 -0.70156 1.9760618 -1.11996 2.0280549 1.244561 1.871395

10 -0.00787 1.68131811 0.525315 1.51531112 1.585412 1.49737213 -1.16867 1.58326514 -0.07372 1.47484715 -0.18833 1.38727716 -0.31533 1.31796917 -2.65083 1.73248518 0.930852 1.67036119 0.134249 1.57756320 -0.69535 1.52873821 -0.83792 1.49333722 -1.63973 1.55142223 1.545988 1.58895224 -0.18058 1.5218625 1.066792 1.50153126 -0.53109 1.45538927 1.418536 1.46904728 -0.04284 1.41534829 -1.64665 1.4691730 -0.21179 1.42050931 1.548407 1.44802632 -1.72853 1.502862

Infinite variance distribution

0

0.5

1

1.52

2.5

3

3.5

4

0 1000 2000 3000 4000 5000

# samples

sam

ple

varia

nce

Sample variance never converges

1.9 stable(0,1,0)

Page 35: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

/

1

( ) ( )t t

nn

X t S n YΔ

=

= = ∑

nY

1Y2Y

3Y

particle location at time t, X(t), is the sum of the lengths, Yn, of a bunch of jumps

Lagrangian modelHeavy tailed Random Walk

t=time

this time, jump lengths will be iid random variables with

infinite variance

Page 36: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Random Walk/

1( )

t t

nn

X t YΔ

=

= ∑

To get the long term behavior of this process, we will let Δx and Δt go to 0.

This must be done in a non-trivial way (what if Δx= Δt and Δt 0?). i.e. we have to scale things properly

this time, jump lengths will be iid random variables with

infinite variance

Page 37: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Limit Theoremsfor sums of iid random variables

( )1 21n2

lim 0,1( )

nY Y Y n X Nsdev n

μ→∞

+ +…+ −= ∼

( )1 21n

lim 1, , 0nY Y Y n X Sn

αα

μσ β μ

σ→∞

+ +…+ −= = =∼

finite variance:Y ∼

more general

α-stable density3. contract spatial scale

2. expand time scale

Page 38: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

α-stable densities(lots of info in the classic reference by Samorodnitsky and Taqqu)

• in general, can not be written in closed form. written as Fourier transform- inverted numerically to view densities

• When α=2, β 0, Gaussian. When α=1, Cauchy• sums of stables are stable in the limit• spread is not standard deviation

( )1, , 0Sα σ β μ= =

spread skewness shift

ˆ( ) exp ( ( ) (1 ) ( ) )s ( 1)P k ik ik ignα α α αβσ β σ α⎡ ⎤= + − − −⎣ ⎦

Page 39: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

,

4− 2− 0 2 40

0.1

0.2

0.3

0.41.5-stable densities

fα x 1−, ( )

fα x .5−, ( )

fα x 0, ( )

fα x .5, ( )

fα x 1, ( )

Page 40: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Totally skewed

0.5 1 1.5 2 2.5 3 3.5 4 4.5 5

0.5

1

1.5

2

a=.5a=.7a=.9

skewed stables

skewedstable x .5,( )

skewedstable x .7,( )

skewedstable x .9,( )

x

• Totally skewed densities are limits of jump densities where you have long jumps in one direction but not the other.

Page 41: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Generalized Central Limit Theorem

Let and 2

v Dt t

αμ σ= =

Δ Δ

( )1

1 2 1, , 0nY Y Y n n Sααμ σ σ β μ+ +…+ ≈ + = =

( )1

1 2 2 1, , 0nY Y Y tv Dt Sαα σ β μ+ +…+ ≈ + = =

Let n tt

( )1

1 2 1, , 0nt tY Y Y St t

α

αμ σ σ β μ⎛ ⎞⎟⎜+ +…+ ≈ + = =⎟⎜ ⎟⎜⎝ ⎠Δ Δ

Page 42: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

location of a particle at time t

/

1

( )t t

nn

X t YΔ

=

= ∑

Converges in distribution to an α-stable density

( ) ( , )X t C x t→ =

a Lévy motion

To get the long term behavior of this process, we will rescale and let Δx and Δt go to 0.

( )12

1 2 0,1nt tY Y Y Nt tμ σ

⎛ ⎞⎟⎜+ +…+ ≈ + ⎟⎜ ⎟⎜⎝ ⎠Δ Δ2

Let and 2

v Dt t

μ σ= =

Δ Δ

( )1

1 2 2 1, , 0nY Y Y tv Dt Sαα σ β μ+ +…+ ≈ + = =

no closed form; usually in Fourier space

Page 43: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Heavy tailed random walk simulation

Page 44: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Longer time scale

Page 45: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Scaling limit: Stable Lévy motion

includes jumps

Page 46: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Defn: Lévy Motion

A stochastic processis a Lévy motion if1) X(0)=02) has stationary and

independent increments3) for every t>0, X(t) is α-stable

distributed with mean 0 and spread

{ ( ), 0}X t t ≥

2 .tσ

{ ( ), 0}X t t ≥

Page 47: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Important points

The discrete stochastic process known as a random walk convergesin the scaling limit to a continuous time stochastic process called a Lévy Motion

Brownian motion is a subset of Lévy motion that arises when the jump length distribution has finite variance

If a particle is making stationary, independent jumps (increments), then the random location of a particle at time t is governed by an α-stable density.

The Gaussian distribution is α-stable with α=2

Page 48: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Fractional Fick’s Law 1

1

CF Dx

α

α

∂= −

F = fluxDd = diffusion coeff.C = concentration

Page 49: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Integer-Order Derivativelocal function

slope at an infinitesimally small

point

x

C(x)

Cx

∂≈

Page 50: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Fractional-Order Derivativenon-local function

the fractional derivative at a point

depends on the values over the entire function

x

C(x)

Cx

α

α

∂∂

• the fractional derivative is a weighted average of all of the values over the function

• the order of the fractional derivative indicates how those weights decay with distance from x

Page 51: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

i

Prob

abili

ty

0.1

1

0.01

0.9000.900

0.0450.045

0.0170.0170.0090.009

0.0050.005

i+3i+2i+1

0.0030.003

i+4 i+5 i+6

conceptual model:Probability that a particle jumps forward n boxes

x

α

α

∂∂

α = 0.9 (low heterogeneity)

Page 52: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Prob

abili

ty

0.01

i

0.1

1

0.1000.100

0.0450.0450.0290.029 0.0200.020 0.0160.016

0.0130.013

i+4i+3i+2 i+5i+1 i+6

x

α

α

∂∂

α = 0.1 (high heterogeneity)

conceptual model:Probability that a particle jumps forward n boxes

Page 53: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

1-D Fractional ADE Derivation

mass flux conservation of mass 1

1e eCF v n C n D

x

α

α

∂= −

∂ eFCn

t x∂∂

− =∂ ∂

1

1

CC v C Dt x x

α

α

⎡ ⎤⎛ ⎞∂∂ ∂= − +⎢ ⎥⎜ ⎟∂ ∂ ∂⎝ ⎠⎣ ⎦

CC Cv Dt x x

α

α

∂∂ ∂= − +

∂ ∂ ∂

Page 54: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Fractional ADE for SUPER-diffusive processes

CC Cv Dt x x

α

α

∂∂ ∂=− +

∂ ∂ ∂

where Cv

DC

x

α

α

===

∂=

concentration

average linear velocity

constant dispersion coefficient

fractional-in-spacederivative

αth derivative of concentration(where 1<α 2)≤

Page 55: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Space-fractional advection-dispersion equation (fADE)

α

α

xCD

xCv

tC

∂∂

+∂∂

−=∂∂

CikDCikvdtCd ˆ)(ˆ)(ˆ

α+−=

invert

( )tikDtikvC α)()(expˆ +−=

),( txC

Fourier transform

is an α-stable stable density with mean vt

solve for C

deterministic solution to a PDE is a probability density!

Page 56: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Space-fractional ADE Characteristics

• Spatial snapshots– α-stable concentration profiles are

skewed with long right tail– plume leading edge decays as a power

law x-α-1

– snapshot width spreads like t1/α

– total mass remains constant over time

• Flux at position x– asymmetric breakthrough curves– long leading edge – breakthrough curve width grows like x1/α

– area under breakthrough curves remains constant

Page 57: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Important points

• Fractional dispersion leads to skewed, heavy-tailed breakthrough curves

• Fractional ADE has α-stable solutions

• scaling

1 12 2( , ) ( ,1)C x t t C t x

− −=

1 1

( , ) ( ,1)C x t t C t xα α− −

=

CC Cv Dt x x

α

α

∂∂ ∂= − +

∂ ∂ ∂

2

2

CC Cv Dt x x

∂∂ ∂= − +

∂ ∂ ∂

Page 58: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

limiting stochastic process

governing equation

solution

Brownian motion

ADE

Gaussian density

finite-mean waiting time distribution

infinite-mean waiting time distribution

infinite-variance jump

length distribution

finite-variance jump

length distribution

?

?Lévy motion

space fADE

α-stable density

randomwalks

Page 59: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Why might we model a transport process with a random walk that has heavy tailed jump lengths?

Tracer studies in sand and gravel bed streams reveal hop length distributions with heavy tails (Bradley et al., 2009)

Super-diffusive transport of solute in aquifers and streams (Benson et al, 2000a,

2000b, 2001)

Transport on hillslopes may be non-local; sediment flux must be calculated using not just the local gradient, but also upstream topography (Foufoula-Georgiou et al., 2009)

Page 60: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

limiting stochastic process

governing equation

solution

Brownian motion

ADE

Gaussian density

finite-mean waiting time distribution

infinite-mean waiting time distribution

finite-variance jump

length distribution

?

infinite-variance jump

length distribution

?Lévy motion

space fADE

α-stable density

randomwalks

heavy tails in time

Page 61: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

running average

0

2

4

6

8

10

12

numb er o f samp les

running variance

0

1000

2000

3000

4000

5000

6000

7000

8000

number o f samples

0.878805 0.878805 167.475719.18048 10.02964 109.83021.182213 7.080501 84.781310.280155 5.380414 68.022640.670505 4.438432 56.89110.586423 3.796431 48.2081.431849 3.458633 93.4198723.87406 6.010562 83.131782.474393 5.617654 76.379330.633261 5.119215 70.571140.632889 4.711367 69.872612.99414 5.401598 65.421681.178645 5.076756 60.57923.445996 4.960273 57.632970.409136 4.656864 54.203782.086231 4.496199 51.865620.27212 4.247724 48.92196

2.858282 4.170533 46.699251.103217 4.009095 44.24144.018116 4.009546 42.520830.796826 3.856559 41.11975

=rand()/rand()

Infinite mean distributions

Page 62: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Time is not explicitly considered in the random walk model….each time step, Δt, a jump occurred so that the number of jumps was

now we want a model that incorporates random time intervals between jumps representing immobile periods

n tt

Page 63: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Continuous time random walk (CTRW)

( )

1

( ) ( ( ))N t

nn

X t S N t Y=

= = ∑1 2( ) ... nS n Y Y Y= + + +

1( ) ... nT n J J= + +

{ }( ) max : ( )N t n T n t= ≤

DISCRETE

Page 64: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

CTRW

{ }( )

1 2

1 2

......

max :

( ) ( )

n

n

n n

n n

t n

YJS Y Y YT J J JN n T t

X t S N t

= + + += + + +

= ≤

=

( )

1

( ) ( ( ))N t

nn

X t S N t Y=

= = ∑

iid particle jump lengths

iid inter-jump waiting times

particle location after nth jump

time of nth jump

number of jumps by time t

location of particle at time t

1 2

1 2

( )( )( ) ( ) ... (

Random variable Density

)( ) ( ) ... ( )

( , )

n

n

f xt

f x f x f xt t t

P x t

ψ

ψ ψ ψ∗ ∗ ∗∗ ∗ ∗

Page 65: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

1 ( ) ( , 0)( , )1 ( ) ( )

s P k tP k ss s f k

ψψ

− ==

waiting timedensity

Governing equation for CTRWs(discrete stochastic process given by its Fourier-Laplace transform)

initialcondition

product of waiting time densityand jump length density

probability ofparticle location

This equation can be used in discrete form…. we want to take a scaling limit

Page 66: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Limit Theorems

( )1 2 ( )1n

lim 1, , 0N tY Y Y nX S

α

μσ β μ

σ→∞

+ +…+ −= = =∼

We still need to use a limit theorem to add up jumps…but we’ve got the added complication of number of

events by time t being random

If waiting times have finite mean v then LLN shows that the nth jump happens at time so that

1 2 /( ) ... tX t Y Y Y ν= + + +nt T nν= ≈

same result as a classical random walk

Page 67: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Limit Theorems

( )1 2 ( )1n

lim 1, , 0N tY Y Y nX S

α

μσ β μ

σ→∞

+ +…+ −= = =∼

We still need to use a limit theorem to add up jumps…but we’ve got the added complication of number of

events by time t being random

If waiting times have infinite mean, i.e. waiting times Jnare heavy tailed with power law index 0<γ<1 then

( )1 21n

lim 1, , 0nJ J J n W Sn

γγ

νσ β μ

→∞

+ +…+ −= = =∼

Page 68: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

( )1

1 2 1, , 0nt J J J n Sγγ σ β μ= + +…+ ≈ = =

rearrange… the time of the nth jump looks like…

and recall, the sum of jump lengths looks like

( )1

1 2 1, , 0nY Y Y n Sαα σ β μ+ +…+ ≈ = =

Z

W

( ) for big n t W nγ≈

Finally, particle location at long time looks like

( )( )X t t W Zγ α≈

γ-stabledensity α-stable

density

Page 69: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

There’s more, but you get the idea?TWO PROCESSES AT WORK

location of a CTRW particle at time t

( )

1

( )N t

nn

X t Y=

= ∑To get the long term behavior of this process, we will rescale and let Δx and Δt go to 0.

( ) ( , )X t C k s→ =

Converges in distribution to a subordinated α-stable density

( ) 1

0

Du ik use s e duα γγ

∞− −∫

Page 70: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

CTRW simulation with heavy tail waiting times

Page 71: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Longer time scale

Page 72: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Scaling limit: Subordinated motion

Limit retains long waiting times.

Page 73: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Important points

A discrete CTRW with finite mean waiting time behaves in the scaling limit as a classical random walk (converges to BM or LM)

A discrete CTRW with infinite mean waiting times and finite variance jumps converges in the scaling limit to a continuous time stochastic process called a subordinated Brownian motion

A discrete CTRW with infinite mean waiting times and infinite variance jumps converges in the scaling limit to a continuous time stochastic process called a subordinated Lévy motion

Subordination randomizes time… time does not proceed linearly, but according to an operational time

Page 74: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Time o

f arr

ival a

t cell

i

t-2

t-3

cell i

t-1

t

for how long have the particles that will land in cell i+1 been in cell i?

conceptual model:memory in time

Page 75: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

1-D time-fractional ADE Derivation

mass flux conservation of mass

e eCF v n C n Dx

∂= −

∂ eFCn

t x

γ

γ

∂∂− =

∂ ∂

C Cv C Dt x x

γ

γ

∂ ⎡ ∂ ∂ ⎤⎛ ⎞= − +⎜ ⎟⎢ ⎥∂ ∂ ∂⎝ ⎠⎣ ⎦

2

2

C C Cv Dt x x

γ

γ

∂ ∂ ∂= − +

∂ ∂ ∂

Page 76: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Fractional ADE for sub-diffusive processes when γ<1/2

sub- or super-diffusive processes when γ>1/2

2

2

CC Cv Dt x x

γ

γ

∂∂ ∂=− +

∂ ∂ ∂where C

vDC

x

γ

γ

===

∂=

concentration

average linear velocity

constant dispersion coefficient

fractional-in-timederivative

γth derivative of concentration(where 0<γ 1)≤

Page 77: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Time-fractional advection-dispersion equation

invert ),( txC

Fourier-Laplace transform

is a subordinated Gaussian density

solve for C…

2

2

C C Cv Dt x x

γ

γ

∂ ∂ ∂= − +

∂ ∂ ∂

1 2ˆ ˆ ˆˆ ( )os C C s vikC D ik Cγ γ −− = − +

Page 78: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Space/time-fractional advection-dispersion equation

invert

Fourier-Laplace transform

USUALLY CAN NOT BE DONE

instead, use method for solving Cauchy problems (Baeumer and Meerschaert,

2001)

solve for C….

C C Cv Dt x x

γ α

γ α

∂ ∂ ∂= − +

∂ ∂ ∂

1ˆ ˆ ˆ ˆ( ) ( )os C C s v ik C D ik Cγ γ α−− = − +

Page 79: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Solutions to fractional in time ADEs are transforms of their conservative counterparts

( )0

( ,( , ) , , ) .t

mu

C x t f t x u duγ β=

= ∫ c

If the solution to ( , ) ( ) ( , )x t L x x tt

∂=

∂c c

is the probability density ( , )x tc

then the solution to the non-conservative mobile transport equation is buried in here is a α-stable

density with scaling parameter 0<γ<1, known as a stable

subordinator

like the Gaussian or a-stable

Page 80: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Space/time-fractional ADE Characteristics

• Spatial snapshots– Subordinated α-stable concentration profiles are skewed

with long right tail if α<2– plume leading edge decays as a power law x-α-1 if α<2– snapshot width spreads like tγ/α

– total mass remains constant over time

• Flux at position x– breakthrough curve tail decays as t-γ-1

– breakthrough curve width grows like xγ/α

– area under breakthrough curves remains constant with time

Page 81: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Important points

• Concept of “operational” time

• Solutions to time fADE are subordinated densities

• scaling

( , ) ( ,1)C x t t C t xγ γα α

− −=

CC Cv Dt x x

αγ

γ α

∂∂ ∂= − +

∂ ∂ ∂

Page 82: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Mobile-immobile fADEs• In some applications, you can not measure immobile

particles• Mobile zone (measureable) mass decays over time—

sometimes as a power law

MADE Site mobile mass loss

power law fit0

0.5

1

1.5

2

2.5

0 100 200 300 400 500 600

bromide

power law fit

exponential fit

Time (days)

Mas

s Fr

action

bromide

bromide

1

10

10 100 1000Time (days)

bromide

0.110

Mas

s Fr

action

power law fit

exponential fit

Page 83: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

1 ( ) ( , 0)( , )1 ( , )

s P k tP k ss p k s

ψ− ==

CTRW can be broken into its mobile and immobile components

( ) ( )( , 0) ( ) ( , 0)

1 ( , ) 1 ( , )P k t s P k t

s p k s s p k sψ= =

= −− −

mobile immobile

Page 84: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Mobile, immobile, total fractional in time ADEs

,0( ) ( )(1 )

mm m

C tL x C C xt

γ γ

γβ βγ

−∂= −

∂ Γ −

,0( ) ( )(1 )

imim m

C tL x C C xt

γ γ

γβγ

−∂= +

∂ Γ −

tot m m im imC C Cθ θ= +

,0( ) , ( ,0) ( )tottot tot m m

C L x C C x C xt

γ

γβ θ∂= =

mobile

immobile

total

im

m

θβθ

=

Page 85: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

ADE (a(x))

Immobile (βCim)Total (Ctot)

Mobile (Cm)

0 5 10 15 20 25 30 35 400

0.05

0.1

0.15

0.2

Distance from source (x)

Rela

tive

mas

s in

eac

h ph

ase

Mobile/immobile/total solute transport

Page 86: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

ADE (a(x))

Immobile (βCim)

late time tail

tot imC C t γ−∼ ∼

Total (Ctot)

Mobile (Cm)

late time tail ( 1)

mC t γ− +∼

time since injection (t)

brea

kthr

ough

cur

ve C

(t)

10-6

10-1

10-2

10-3

10-4

10-5

100

103102101100 .

Breakthrough curves with power law tails

Page 87: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

a) Snapshot 4 (day 202)

d) Snapshot 7 (day 503)c) Snapshot 6 (day 370)

b) Snapshot 5 (day 279)

050

100150200250300

-25 25 75 125Longitudinal Distance (meters)

Brom

ide

Conc

. (m

g/L) model

data

050

100150200250300

-25 25 75 125Longitudinal Distance (meters)

Brom

ide

Conc

. (m

g/L) model

data

050

100150200250300

-25 25 75 125Longitudinal Distance (meters)

Brom

ide

Conc

. (m

g/L) model

data

050

100150200250300

-25 25 75 125Longitudinal Distance (meters)

Brom

ide

Conc

. (m

g/L) model

data

Scaling of MADE Site plume

Page 88: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Important points

CTRW can be divided into its mobile and immobile components

Taking scaling limits of the mobile and immobile components leads to equations for mobile particles and immobile particles

Mobile particle equation solutions lose mass over time when particles have infinite mean waiting times

Use mobile fADE if you can not measure immobile phase

Page 89: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

limiting stochastic process

governing equation

solution

Brownian motion

ADE

Gaussian density

finite-mean waiting time distribution

infinite-mean waiting time distribution

finite-variance jump

length distribution

infinite-variance jump

length distribution

Lévy motion

space fADE

α-stable density

CTRW

subordinatedBrownian motion

time fADE

subordinatedGaussian density

subordinatedLévy motion

space/time fADE

subordinatedα-stable density

Page 90: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

VocabularyErgodic stochastic processdistribution of the sum of random

variables reaches a limit that does not depend on its initial conditions

Pre-ergodic stochastic processe.g. CTRW is commonly used without

taking limits….if you know the exact waiting time density, why not use it?

Page 91: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Vocabulary

Self-similar stochastic processhas stationary increments and is invariant

if the proper scaling index is used(e.g. 1/2 for BM and 1/α for LM)

Page 92: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

FRACTALS and their relationship with some stochastic processes

Fractal – an object in which properly scaled portions are identical (in a deterministic or statistical sense) to the original object

Fractals can be deterministic or random

Page 93: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Path of a Brownian motion

random fractal with Hausdorff dimension 3/2 (Mandelbrot, 1982)courtesy of M.M. Meerschaert

Page 94: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Path of a Levy motion

Random graph of fractal dimension 2-1/α includes jumps.

courtesy of M.M. Meerschaert

Page 95: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Fractals are ubiquitous in nature.

What kind of stochastic process governs particle transport through

fractal networks or on fractal structures?

Page 96: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

What if we relax assumptions of the classical random walk model?

stationary, independent, finite variance increments

+ hidden assumption of regular jump times (finite mean interarrivals)

non-stationaryincrements?

infinite variance ( heavy-tailed jumps)?

long-range correlation?

infinite mean interarrivals( heavy tailed wait times)?

Page 97: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Fractional Brownian (Levy) motion

Scaling parameter for fBM is the Hurst coefficient

Random walks with long range correlation in the increments discrete

continuous

scaling limit

if H = 1 / 2 Brownian motionif H > 1 / 2, increments of the process are positively correlated if H < 1 / 2, increments of the process are negatively correlated

Page 98: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Non-stationarity

2

2( ) ( )C C Cv t D tt x x

∂ ∂ ∂= − +

∂ ∂ ∂

( ) ( )C v x D xt x x

∂ ∂ ∂⎛ ⎞= − +⎜ ⎟∂ ∂ ∂⎝ ⎠

Pseudo-differential operators for non-stationarity in space…..e.g.

( )

( )

x

x

C C Cv Dt x x

α

α

∂ ∂ ∂= − +

∂ ∂ ∂

or

For non-stationarity in time…..e.g.

Page 99: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Lots of other non-local models

• Cushman and Ginn (1993) describe a non-local space/time convolution flux…if the kernel in the convolution term is a power-law, get fADE….

• This generalization allows “continuously evolving heterogeneity”….

Page 100: Heavy-tailed stochastic processes and fractional ADEs for ... · Stochastic Model • Physical (or non-physical) transport processes are deterministic, but we conceptualize them as

Multifractals are used to describe complex geometry

• distribution describing different heterogeneity scales can follow different power laws

• Are there simple stochastic processes with well-known governing equations that produce multifractals?