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When do interacting organisms gravitate to the vertices of a regular simplex? Tongseok Lim & Robert McCann University of Toronto Slides at ‘Talk 3’ at www.math.toronto.edu/mccann 6 July 2020 Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 1 / 20

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Page 1: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

When do interacting organisms gravitate to the verticesof a regular simplex?

Tongseok Lim & Robert McCann

University of Toronto

Slides at ‘Talk 3’ at www.math.toronto.edu/mccann

6 July 2020

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 1 / 20

Page 2: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

Animals forming patterns: flocking, milling, swarming

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 2 / 20

Page 3: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

and schooling

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 3 / 20

Page 4: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

bottom view

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 4 / 20

Page 5: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

Led scientists to make models...

e.g. (very incomplete)Lennard-Jones (1924) 6-12 potential for molecular interactionsParr (1927)Breder (1954) attractive-repulsive power law interaction for fish separationKeller-Segal (1971) purely attractive, 1st order (2d cell chemotaxis)..Mogilner and Edelstein-Keshet (1999) 1d attractive-repulsive + diffusionLevine, Rappel and Cohen (2000) 2nd order, preferred speedTopaz, Bertozzi and Lewis (2006)Cucker and Smale (2007) 2nd order, matched speeds..... analyze and simulatee.g. (just as incomplete) Albi, Balague, Bertozzi, Burchard, Carrillo,Choksi, Craig, Fetecau, Figalli, Frank, Huang, Kolokolnikov, Laurent, Lieb,Lopes, Pavlovski, Pattachini, Raoul, Sun, Topaloglu, Uminsky, von Brecht,...Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 5 / 20

Page 6: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

Attractive-repulsive pair potentials on x ∈ Rn:

Va,b(x) := Va(x)− Vb(x)

Va(x) :=1

a|x |a exponents a > b

• minimized at separation |x | = 1

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 6 / 20

Page 7: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

First-order, interacting J particle dynamics

ODE description: xk(t) ∈ Rn for i ∈ {1, . . . , J}:

dxkdt

=1

J − 1

∑i 6=k

∇Va,b(xi − xk)

PDE description:

the probability measure µ(t) :=1

J

J∑i=1

δxi (t) on Rn satisfies

the

‘aggregation / self-assembly’ equation

dt= ∇ · [µ∇(Va,b ∗ µ)]

=1

2∇ · [µ∇(

δE

δµ)],

which dissipates the energy

E (µ) = Ea,b(µ) :=

∫Rn

∫Rn

Va,b(x − y)dµ(x)dµ(y)

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 7 / 20

Page 8: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

First-order, interacting J particle dynamics

ODE description: xk(t) ∈ Rn for i ∈ {1, . . . , J}:

dxkdt

=1

J − 1

∑i 6=k

∇Va,b(xi − xk)

PDE description:

the probability measure µ(t) :=1

J

J∑i=1

δxi (t) on Rn satisfies the

‘aggregation / self-assembly’ equation

dt= ∇ · [µ∇(Va,b ∗ µ)]

=

1

2∇ · [µ∇(

δE

δµ)],

which dissipates the energy

E (µ) = Ea,b(µ) :=

∫Rn

∫Rn

Va,b(x − y)dµ(x)dµ(y)

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 7 / 20

Page 9: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

First-order, interacting J particle dynamics

ODE description: xk(t) ∈ Rn for i ∈ {1, . . . , J}:

dxkdt

=1

J − 1

∑i 6=k

∇Va,b(xi − xk)

PDE description:

the probability measure µ(t) :=1

J

J∑i=1

δxi (t) on Rn satisfies the

‘aggregation / self-assembly’ equation

dt= ∇ · [µ∇(Va,b ∗ µ)]

=1

2∇ · [µ∇(

δE

δµ)],

which dissipates the energy

E (µ) = Ea,b(µ) :=

∫Rn

∫Rn

Va,b(x − y)dµ(x)dµ(y)

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 7 / 20

Page 10: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

The continuumum J →∞ limiting dynamics

The aggregation / self-assembly equation

dt= ∇ · [µ∇(Va,b ∗ µ)] =

1

2∇ · [µ∇(

δE

δµ)],

defines a flow on P(Rn), where

P(K ) := {µ ≥ 0 on Rn | µ[K ] = 1 = µ[Rn]}

denotes the space of Borel probability measures on K ⊂ Rn.

Minimizers of Ea,b(µ) on P(Rn) represent attracting fixed points of theflow (as do local minimizers in a suitable topology).

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 8 / 20

Page 11: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

The continuumum J →∞ limiting dynamics

The aggregation / self-assembly equation

dt= ∇ · [µ∇(Va,b ∗ µ)] =

1

2∇ · [µ∇(

δE

δµ)],

defines a flow on P(Rn), where

P(K ) := {µ ≥ 0 on Rn | µ[K ] = 1 = µ[Rn]}

denotes the space of Borel probability measures on K ⊂ Rn.

Minimizers of Ea,b(µ) on P(Rn) represent attracting fixed points of theflow (as do local minimizers in a suitable topology).

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 8 / 20

Page 12: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

Piecewise linear force laws

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 9 / 20

Page 13: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

Power law potentials

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 10 / 20

Page 14: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

Parameter space

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 11 / 20

Page 15: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

Some related results

M. ’94, ’05 introduced d∞-local minimization to find stable rotating stars

Balague, Carrillo, Laurent, Raoul ’13: showed d∞-local minimimizers µ ofEa,b on P(Rn) have support with Hausdorff dimension at least 2− b.

Sun, Uminsky, Bertozzi ’12: for b = 2 showed spherical shell linearly stableiff a < 4 while vertices of regular simplex are linearly stable iff a > 4.Inquired about nonlocal stability and global attraction.

• moreover, in the mildly repulsive regime b ≥ 2

Carrillo, Figalli, Patachini ’17: showed if b > 2 then d∞-localminimimizers are supported only at isolated points (and indeed onlyfinitely many such points in the case of global energy minimizers).

Kang, Kim, Lim, Seo ’19+: catalog d∞-local and global minimizers inn = 1 dimension

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 12 / 20

Page 16: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

Some related results

M. ’94, ’05 introduced d∞-local minimization to find stable rotating stars

Balague, Carrillo, Laurent, Raoul ’13: showed d∞-local minimimizers µ ofEa,b on P(Rn) have support with Hausdorff dimension at least 2− b.

Sun, Uminsky, Bertozzi ’12: for b = 2 showed spherical shell linearly stableiff a < 4 while vertices of regular simplex are linearly stable iff a > 4.Inquired about nonlocal stability and global attraction.

• moreover, in the mildly repulsive regime b ≥ 2

Carrillo, Figalli, Patachini ’17: showed if b > 2 then d∞-localminimimizers are supported only at isolated points (and indeed onlyfinitely many such points in the case of global energy minimizers).

Kang, Kim, Lim, Seo ’19+: catalog d∞-local and global minimizers inn = 1 dimension

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 12 / 20

Page 17: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

Some related results

M. ’94, ’05 introduced d∞-local minimization to find stable rotating stars

Balague, Carrillo, Laurent, Raoul ’13: showed d∞-local minimimizers µ ofEa,b on P(Rn) have support with Hausdorff dimension at least 2− b.

Sun, Uminsky, Bertozzi ’12: for b = 2 showed spherical shell linearly stableiff a < 4 while vertices of regular simplex are linearly stable iff a > 4.Inquired about nonlocal stability and global attraction.

• moreover, in the mildly repulsive regime b ≥ 2

Carrillo, Figalli, Patachini ’17: showed if b > 2 then d∞-localminimimizers are supported only at isolated points (and indeed onlyfinitely many such points in the case of global energy minimizers).

Kang, Kim, Lim, Seo ’19+: catalog d∞-local and global minimizers inn = 1 dimension

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 12 / 20

Page 18: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

Global and local stability of regular simplices

Theorem (Minimizing strong attraction with mild repulsion)

1. If a>>b > 2 then E (µ) is uniquely minimized on P(Rn) (up torotations and translations) by equidistributing the mass of µ over thevertices of a regular simplex:

µ =1

n + 1

n∑i=0

δxi where |xi − xk | = 1 for all 0 ≤ i < k ≤ n.

Theorem (Many local minima throughout the mildly repulsive regime)

2. If a>b > 2 and 0 < m0 ≤ · · · ≤ mn with 1 =∑n

i=0 mi then

µ =n∑

i=0

miδxi where |xi − xk | = 1 as above

is a d∞-local minimizer of E (µ) (mininimizing strictly up to rigid motions).

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 13 / 20

Page 19: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

Global and local stability of regular simplices

Theorem (Minimizing strong attraction with mild repulsion)

1. If a>>b > 2 then E (µ) is uniquely minimized on P(Rn) (up torotations and translations) by equidistributing the mass of µ over thevertices of a regular simplex:

µ =1

n + 1

n∑i=0

δxi where |xi − xk | = 1 for all 0 ≤ i < k ≤ n.

Theorem (Many local minima throughout the mildly repulsive regime)

2. If a>b > 2 and 0 < m0 ≤ · · · ≤ mn with 1 =∑n

i=0 mi then

µ =n∑

i=0

miδxi where |xi − xk | = 1 as above

is a d∞-local minimizer of E (µ) (mininimizing strictly up to rigid motions).

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 13 / 20

Page 20: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

Parameter space

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 14 / 20

Page 21: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

Kantorovich-Rubinstein-Wasserstein Lp-transport metric dp

Given p > 1 and K ⊂ Rn compact,

dp(µ, ν) :=

(inf

γ∈Γ(µ,ν)

∫Rn×Rn

|x − y |pdγ(x , y)

)1/p

metrizes the weak topology on P(K ), where

Γ(µ, ν) :=

{γ ∈ P(R2n) | µ[U] = γ[U × Rn],

γ[Rn × U] = ν[U]∀U ⊂ Rn

}denotes the set of joint measures with given marginals.

d∞(µ, ν) := limp→∞

dp(µ, ν)

metrizes a much finer topology.

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 15 / 20

Page 22: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

Kantorovich-Rubinstein-Wasserstein Lp-transport metric dp

Given p > 1 and K ⊂ Rn compact,

dp(µ, ν) :=

(inf

γ∈Γ(µ,ν)

∫Rn×Rn

|x − y |pdγ(x , y)

)1/p

metrizes the weak topology on P(K ), where

Γ(µ, ν) :=

{γ ∈ P(R2n) | µ[U] = γ[U × Rn],

γ[Rn × U] = ν[U]∀U ⊂ Rn

}denotes the set of joint measures with given marginals.

d∞(µ, ν) := limp→∞

dp(µ, ν)

metrizes a much finer topology.

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 15 / 20

Page 23: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

What distinguishes b = 2? (and for that matter a = 2)?

Introducing the mean

x̄(µ) :=

∫Rn

xdµ(x),

the quadratic contribution

1

2

∫Rn

∫Rn

|x − y |2dµ(x)dµ(y) = − |x̄(µ)|2 +

∫Rn

|x |2dµ(x)

=: Var(µ)

to the energy of µ becomes linear on the centered measures

P0(Rn) := {µ ∈ P(Rn) | d2(µ, δ0) <∞, x̄(µ) = 0}

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 16 / 20

Page 24: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

What distinguishes b = 2? (and for that matter a = 2)?

Introducing the mean

x̄(µ) :=

∫Rn

xdµ(x),

the quadratic contribution

1

2

∫Rn

∫Rn

|x − y |2dµ(x)dµ(y) = − |x̄(µ)|2 +

∫Rn

|x |2dµ(x)

=: Var(µ)

to the energy of µ becomes linear on the centered measures

P0(Rn) := {µ ∈ P(Rn) | d2(µ, δ0) <∞, x̄(µ) = 0}

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 16 / 20

Page 25: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

Variance maximization under diameter constraint

Thus− minµ∈P0(Rn)

E∞,2(µ) = maxdiam sptµ≤1

Var(µ)

• although the diameter constraint is non-convex (unless n = 1), thevariance maximizers can be found by solving an infinite-dimensional linearprogram for each compact set K ⊂ Rn of unit diameter. As described in acompanion work, they turn out to be precisely the measures from THM 1.

• by comparison, the same measures minimize E∞,b(µ) for all b > 2.

• Γ-convergence: since Ea,bΓ→E∞,b on (P0(Rn), d2), subsequences of

minimizers µa,b converge weakly to minimizers µ∞,b of the limitingproblem.

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 17 / 20

Page 26: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

Variance maximization under diameter constraint

Thus− minµ∈P0(Rn)

E∞,2(µ) = maxdiam sptµ≤1

Var(µ)

• although the diameter constraint is non-convex (unless n = 1), thevariance maximizers can be found by solving an infinite-dimensional linearprogram for each compact set K ⊂ Rn of unit diameter. As described in acompanion work, they turn out to be precisely the measures from THM 1.

• by comparison, the same measures minimize E∞,b(µ) for all b > 2.

• Γ-convergence: since Ea,bΓ→E∞,b on (P0(Rn), d2), subsequences of

minimizers µa,b converge weakly to minimizers µ∞,b of the limitingproblem.

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 17 / 20

Page 27: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 18 / 20

Page 28: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

First and second variations

• this convergence can be strengthened using the Euler-Lagrange equation

Va,b ∗ µa,b(x)≥2Ea,b(µa,b) with equality holding µa,b-a.e.

• for large a, the mass of µa,b is thus localized to a union of small ballsaround the vertices of a regular simplex; a 2nd variation calculation(exploiting the uniform radial convexity of Va,b at its minimum and its lackof uniform concavity at the origin) then shows the energy is reduced byconcentrating all of the mass in each ball at a single point

• the regular simplex is the only shape which succeeds in placing all n + 1points at unit distance from each other, hence is energetically optimal

• the same 2nd variation calculation establishes THM 2; the d∞-closenessto a measure supported on a regular simplex replaces the Γ-convergenceargument to provide the required localization in this case

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 19 / 20

Page 29: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

First and second variations

• this convergence can be strengthened using the Euler-Lagrange equation

Va,b ∗ µa,b(x)≥2Ea,b(µa,b) with equality holding µa,b-a.e.

• for large a, the mass of µa,b is thus localized to a union of small ballsaround the vertices of a regular simplex; a 2nd variation calculation(exploiting the uniform radial convexity of Va,b at its minimum and its lackof uniform concavity at the origin) then shows the energy is reduced byconcentrating all of the mass in each ball at a single point

• the regular simplex is the only shape which succeeds in placing all n + 1points at unit distance from each other, hence is energetically optimal

• the same 2nd variation calculation establishes THM 2; the d∞-closenessto a measure supported on a regular simplex replaces the Γ-convergenceargument to provide the required localization in this case

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 19 / 20

Page 30: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

First and second variations

• this convergence can be strengthened using the Euler-Lagrange equation

Va,b ∗ µa,b(x)≥2Ea,b(µa,b) with equality holding µa,b-a.e.

• for large a, the mass of µa,b is thus localized to a union of small ballsaround the vertices of a regular simplex; a 2nd variation calculation(exploiting the uniform radial convexity of Va,b at its minimum and its lackof uniform concavity at the origin) then shows the energy is reduced byconcentrating all of the mass in each ball at a single point

• the regular simplex is the only shape which succeeds in placing all n + 1points at unit distance from each other, hence is energetically optimal

• the same 2nd variation calculation establishes THM 2; the d∞-closenessto a measure supported on a regular simplex replaces the Γ-convergenceargument to provide the required localization in this case

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 19 / 20

Page 31: University of Toronto Department of Mathematics - When do … · 2020. 7. 5. · Some related results M. ’94, ’05introduced d 1-local minimization to nd stable rotating stars

Thank you

Tongseok Lim & Robert McCann (UToronto) Isodiametry, variance and pattern formation 6 July 2020 20 / 20