Moment methods in energy minimization David de Laat Delft - - PowerPoint PPT Presentation

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Moment methods in energy minimization David de Laat Delft - - PowerPoint PPT Presentation

Moment methods in energy minimization David de Laat Delft University of Technology (Joint with Fernando Oliveira and Frank Vallentin) L aszl o Fejes T oth Centennial 26 June 2015, Budapest Packing and energy minimization Energy


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Moment methods in energy minimization

David de Laat Delft University of Technology (Joint with Fernando Oliveira and Frank Vallentin)

L´ aszl´

  • Fejes T´
  • th Centennial

26 June 2015, Budapest

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Packing and energy minimization

Sphere packing Spherical cap packing Energy minimization Kepler conjecture (1611) Tammes problem (1930) Thomson problem (1904)

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Packing and energy minimization

Sphere packing Spherical cap packing Energy minimization Kepler conjecture (1611) Tammes problem (1930) Thomson problem (1904)

◮ Typically difficult to prove optimality of constructions

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Packing and energy minimization

Sphere packing Spherical cap packing Energy minimization Kepler conjecture (1611) Tammes problem (1930) Thomson problem (1904)

◮ Typically difficult to prove optimality of constructions ◮ This talk: Methods to find obstructions

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The maximum independent set problem

Example: the Petersen graph

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The maximum independent set problem

Example: the Petersen graph

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The maximum independent set problem

Example: the Petersen graph

◮ In general difficult to solve to optimality (NP-hard)

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The maximum independent set problem

Example: the Petersen graph

◮ In general difficult to solve to optimality (NP-hard) ◮ The Lov´

asz ϑ-number upper bounds the independence number

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The maximum independent set problem

Example: the Petersen graph

◮ In general difficult to solve to optimality (NP-hard) ◮ The Lov´

asz ϑ-number upper bounds the independence number

◮ Efficiently computable through semidefinite programming

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The maximum independent set problem

Example: the Petersen graph

◮ In general difficult to solve to optimality (NP-hard) ◮ The Lov´

asz ϑ-number upper bounds the independence number

◮ Efficiently computable through semidefinite programming ◮ Semidefinite program: optimize a linear functional over the

intersection of an affine space with the cone of n × n positive semidefinite matrices

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The maximum independent set problem

Example: the Petersen graph

◮ In general difficult to solve to optimality (NP-hard) ◮ The Lov´

asz ϑ-number upper bounds the independence number

◮ Efficiently computable through semidefinite programming ◮ Semidefinite program: optimize a linear functional over the

intersection of an affine space with the cone of n × n positive semidefinite matrices 3 × 3 positive semidefinite matrices with unit diagonal:

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Model packing problems as independent set problems

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Model packing problems as independent set problems

◮ Example: the spherical cap packing problem

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Model packing problems as independent set problems

◮ Example: the spherical cap packing problem

◮ As vertex set we take the unit sphere

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Model packing problems as independent set problems

◮ Example: the spherical cap packing problem

◮ As vertex set we take the unit sphere ◮ Two distinct vertices x and y are adjacent if the spherical caps

centered about x and y intersect in their interiors:

x y

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Model packing problems as independent set problems

◮ Example: the spherical cap packing problem

◮ As vertex set we take the unit sphere ◮ Two distinct vertices x and y are adjacent if the spherical caps

centered about x and y intersect in their interiors:

x y

◮ Optimal density is proportional to the independence number

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Model packing problems as independent set problems

◮ Example: the spherical cap packing problem

◮ As vertex set we take the unit sphere ◮ Two distinct vertices x and y are adjacent if the spherical caps

centered about x and y intersect in their interiors:

x y

◮ Optimal density is proportional to the independence number ◮ ϑ generalizes to an infinite dimensional maximization problem

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Model packing problems as independent set problems

◮ Example: the spherical cap packing problem

◮ As vertex set we take the unit sphere ◮ Two distinct vertices x and y are adjacent if the spherical caps

centered about x and y intersect in their interiors:

x y

◮ Optimal density is proportional to the independence number ◮ ϑ generalizes to an infinite dimensional maximization problem ◮ Use optimization duality, harmonic analysis, and real algebraic

geometry to approximate ϑ by a semidefinite program

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Model packing problems as independent set problems

◮ Example: the spherical cap packing problem

◮ As vertex set we take the unit sphere ◮ Two distinct vertices x and y are adjacent if the spherical caps

centered about x and y intersect in their interiors:

x y

◮ Optimal density is proportional to the independence number ◮ ϑ generalizes to an infinite dimensional maximization problem ◮ Use optimization duality, harmonic analysis, and real algebraic

geometry to approximate ϑ by a semidefinite program

◮ For this problem this reduces to the Delsarte LP bound

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New bounds for binary packings

Sodium Chloride

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New bounds for binary packings

Density: 79.3 . . . % Sodium Chloride

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New bounds for binary packings

Density: 79.3 . . . % Our upper bound: 81.3 . . . % Sodium Chloride

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New bounds for binary packings

Density: 79.3 . . . % Our upper bound: 81.3 . . . % Sodium Chloride

◮ Question 1: Can we use this method for optimality proofs?

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New bounds for binary packings

Density: 79.3 . . . % Our upper bound: 81.3 . . . % Sodium Chloride

◮ Question 1: Can we use this method for optimality proofs? ◮ Florian and Heppes prove optimality of the following packing:

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New bounds for binary packings

Density: 79.3 . . . % Our upper bound: 81.3 . . . % Sodium Chloride

◮ Question 1: Can we use this method for optimality proofs? ◮ Florian and Heppes prove optimality of the following packing: ◮ We prove ϑ is sharp for this problem, which gives a simple

  • ptimality proof
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New bounds for binary packings

Density: 79.3 . . . % Our upper bound: 81.3 . . . % Sodium Chloride

◮ Question 1: Can we use this method for optimality proofs? ◮ Florian and Heppes prove optimality of the following packing: ◮ We prove ϑ is sharp for this problem, which gives a simple

  • ptimality proof

◮ We slightly improve the Cohn-Elkies bound to give the best

known bounds for sphere packing in dimensions 4 − 7 and 9

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New bounds for binary packings

Density: 79.3 . . . % Our upper bound: 81.3 . . . % Sodium Chloride

◮ Question 1: Can we use this method for optimality proofs? ◮ Florian and Heppes prove optimality of the following packing: ◮ We prove ϑ is sharp for this problem, which gives a simple

  • ptimality proof

◮ We slightly improve the Cohn-Elkies bound to give the best

known bounds for sphere packing in dimensions 4 − 7 and 9

◮ Question 2: Can we obtain arbitrarily good bounds?

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Energy minimization

◮ Goal: Find the ground state energy of a system of N particles

in a compact container V with pair potential h

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Energy minimization

◮ Goal: Find the ground state energy of a system of N particles

in a compact container V with pair potential h

◮ Assume h({x, y}) → ∞ as x and y converge

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Energy minimization

◮ Goal: Find the ground state energy of a system of N particles

in a compact container V with pair potential h

◮ Assume h({x, y}) → ∞ as x and y converge ◮ Define a graph with vertex set V where two distinct vertices x

and y are adjacent if h({x, y}) is large

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Energy minimization

◮ Goal: Find the ground state energy of a system of N particles

in a compact container V with pair potential h

◮ Assume h({x, y}) → ∞ as x and y converge ◮ Define a graph with vertex set V where two distinct vertices x

and y are adjacent if h({x, y}) is large

◮ Let It be the set of independent sets with ≤ t elements

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Energy minimization

◮ Goal: Find the ground state energy of a system of N particles

in a compact container V with pair potential h

◮ Assume h({x, y}) → ∞ as x and y converge ◮ Define a graph with vertex set V where two distinct vertices x

and y are adjacent if h({x, y}) is large

◮ Let It be the set of independent sets with ≤ t elements ◮ Let I=t be the set of independent sets with t elements

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Energy minimization

◮ Goal: Find the ground state energy of a system of N particles

in a compact container V with pair potential h

◮ Assume h({x, y}) → ∞ as x and y converge ◮ Define a graph with vertex set V where two distinct vertices x

and y are adjacent if h({x, y}) is large

◮ Let It be the set of independent sets with ≤ t elements ◮ Let I=t be the set of independent sets with t elements ◮ These sets are compact topological spaces

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Energy minimization

◮ Goal: Find the ground state energy of a system of N particles

in a compact container V with pair potential h

◮ Assume h({x, y}) → ∞ as x and y converge ◮ Define a graph with vertex set V where two distinct vertices x

and y are adjacent if h({x, y}) is large

◮ Let It be the set of independent sets with ≤ t elements ◮ Let I=t be the set of independent sets with t elements ◮ These sets are compact topological spaces ◮ We can view h as a function in C(IN) supported on I=2

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Energy minimization

◮ Goal: Find the ground state energy of a system of N particles

in a compact container V with pair potential h

◮ Assume h({x, y}) → ∞ as x and y converge ◮ Define a graph with vertex set V where two distinct vertices x

and y are adjacent if h({x, y}) is large

◮ Let It be the set of independent sets with ≤ t elements ◮ Let I=t be the set of independent sets with t elements ◮ These sets are compact topological spaces ◮ We can view h as a function in C(IN) supported on I=2 ◮ Minimal energy:

E = min

S∈I=N

  • P⊆S

h(P)

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Moment methods in energy minimization

◮ For S ∈ I=N, define the measure χS = R⊆S δR

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Moment methods in energy minimization

◮ For S ∈ I=N, define the measure χS = R⊆S δR ◮ The energy of S is given by χS(h)

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Moment methods in energy minimization

◮ For S ∈ I=N, define the measure χS = R⊆S δR ◮ The energy of S is given by χS(h) ◮ This measure

◮ is positive ◮ is a moment measure ◮ satisfies λ(I=i) =

N

i

  • for all i
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Moment methods in energy minimization

◮ For S ∈ I=N, define the measure χS = R⊆S δR ◮ The energy of S is given by χS(h) ◮ This measure

◮ is positive ◮ is a moment measure ◮ satisfies λ(I=i) =

N

i

  • for all i

◮ Relaxations: For t = 1, . . . , N,

Et = min

  • λ(h) : λ ∈ M(I2t) positive moment measure,

λ(I=i) = N

i

  • for all 0 ≤ i ≤ 2t
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Moment methods in energy minimization

◮ For S ∈ I=N, define the measure χS = R⊆S δR ◮ The energy of S is given by χS(h) ◮ This measure

◮ is positive ◮ is a moment measure ◮ satisfies λ(I=i) =

N

i

  • for all i

◮ Relaxations: For t = 1, . . . , N,

Et = min

  • λ(h) : λ ∈ M(I2t) positive moment measure,

λ(I=i) = N

i

  • for all 0 ≤ i ≤ 2t
  • E1 ≤ E2 ≤ · · · ≤ EN
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Moment methods in energy minimization

◮ For S ∈ I=N, define the measure χS = R⊆S δR ◮ The energy of S is given by χS(h) ◮ This measure

◮ is positive ◮ is a moment measure ◮ satisfies λ(I=i) =

N

i

  • for all i

◮ Relaxations: For t = 1, . . . , N,

Et = min

  • λ(h) : λ ∈ M(I2t) positive moment measure,

λ(I=i) = N

i

  • for all 0 ≤ i ≤ 2t
  • E1 ≤ E2 ≤ · · · ≤ EN = E
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Moment measures

◮ Operator:

At : C(It × It)sym → C(I2t), AtK(S) =

  • J,J′∈It:J∪J′=S

K(J, J′)

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Moment measures

◮ Operator:

At : C(It × It)sym → C(I2t), AtK(S) =

  • J,J′∈It:J∪J′=S

K(J, J′)

◮ Dual operator

A∗

t : M(I2t) → M(It × It)

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Moment measures

◮ Operator:

At : C(It × It)sym → C(I2t), AtK(S) =

  • J,J′∈It:J∪J′=S

K(J, J′)

◮ Dual operator

A∗

t : M(I2t) → M(It × It) ◮ Cone of positive definite kernels: C(It × It)0

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Moment measures

◮ Operator:

At : C(It × It)sym → C(I2t), AtK(S) =

  • J,J′∈It:J∪J′=S

K(J, J′)

◮ Dual operator

A∗

t : M(I2t) → M(It × It) ◮ Cone of positive definite kernels: C(It × It)0 ◮ Dual cone:

M(It×It)0 = {µ ∈ M(It×It)sym : µ(K) ≥ 0 for all K ∈ C(It×It)0}

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Moment measures

◮ Operator:

At : C(It × It)sym → C(I2t), AtK(S) =

  • J,J′∈It:J∪J′=S

K(J, J′)

◮ Dual operator

A∗

t : M(I2t) → M(It × It) ◮ Cone of positive definite kernels: C(It × It)0 ◮ Dual cone:

M(It×It)0 = {µ ∈ M(It×It)sym : µ(K) ≥ 0 for all K ∈ C(It×It)0}

◮ A measure λ ∈ M(I2t) is a moment measure if

A∗

t λ ∈ M(It × It)0

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Flat extensions

◮ Recall: E1 ≤ E2 ≤ · · · ≤ EN = E

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Flat extensions

◮ Recall: E1 ≤ E2 ≤ · · · ≤ EN = E ◮ Positive semidefinite form f, g = A∗ t λ(f ⊗ g) on C(It)

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Flat extensions

◮ Recall: E1 ≤ E2 ≤ · · · ≤ EN = E ◮ Positive semidefinite form f, g = A∗ t λ(f ⊗ g) on C(It) ◮ Define Nt(λ) = {f ∈ C(It) : f, f = 0}

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Flat extensions

◮ Recall: E1 ≤ E2 ≤ · · · ≤ EN = E ◮ Positive semidefinite form f, g = A∗ t λ(f ⊗ g) on C(It) ◮ Define Nt(λ) = {f ∈ C(It) : f, f = 0}

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Flat extensions

◮ Recall: E1 ≤ E2 ≤ · · · ≤ EN = E ◮ Positive semidefinite form f, g = A∗ t λ(f ⊗ g) on C(It) ◮ Define Nt(λ) = {f ∈ C(It) : f, f = 0} ◮ If λ ∈ M(I2t) is a moment measure and

C(It) = C(It−1) + Nt(λ), then for every l ≥ t, we can extend λ to a moment measure ¯ λ ∈ M(I2l)

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Flat extensions

◮ Recall: E1 ≤ E2 ≤ · · · ≤ EN = E ◮ Positive semidefinite form f, g = A∗ t λ(f ⊗ g) on C(It) ◮ Define Nt(λ) = {f ∈ C(It) : f, f = 0} ◮ If λ ∈ M(I2t) is a moment measure and

C(It) = C(It−1) + Nt(λ), then for every l ≥ t, we can extend λ to a moment measure ¯ λ ∈ M(I2l)

◮ λ(I=i) =

N

i

  • for 0 ≤ i ≤ 2t ⇒ ¯

λ(I=i) = N

i

  • for 0 ≤ i ≤ 2l
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Flat extensions

◮ Recall: E1 ≤ E2 ≤ · · · ≤ EN = E ◮ Positive semidefinite form f, g = A∗ t λ(f ⊗ g) on C(It) ◮ Define Nt(λ) = {f ∈ C(It) : f, f = 0} ◮ If λ ∈ M(I2t) is a moment measure and

C(It) = C(It−1) + Nt(λ), then for every l ≥ t, we can extend λ to a moment measure ¯ λ ∈ M(I2l)

◮ λ(I=i) =

N

i

  • for 0 ≤ i ≤ 2t ⇒ ¯

λ(I=i) = N

i

  • for 0 ≤ i ≤ 2l

If an optimal solution λ of Et satisfies C(It) = C(It−1)+Nt(λ), then Et = EN = E

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Computations using the dual hierarchy

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Computations using the dual hierarchy

E

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Computations using the dual hierarchy

Et E

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Computations using the dual hierarchy

Et E∗

t

E Dual maximization problem

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Computations using the dual hierarchy

Et E∗

t

E Dual maximization problem Strong duality holds: Et = E∗

t

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Computations using the dual hierarchy

Et E∗

t

E Dual maximization problem Strong duality holds: Et = E∗

t ◮ In E∗ t we optimize over kernels K ∈ C(It × It)0

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Computations using the dual hierarchy

Et E∗

t

E Dual maximization problem Strong duality holds: Et = E∗

t ◮ In E∗ t we optimize over kernels K ∈ C(It × It)0 ◮ Idea: Optimize over truncated Fourier series of K

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Harmonic analysis on subset spaces

◮ A group action of Γ on V extends to an action on It by

γ{x1, . . . , xt} = {γx1, . . . , γxt}

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SLIDE 62

Harmonic analysis on subset spaces

◮ A group action of Γ on V extends to an action on It by

γ{x1, . . . , xt} = {γx1, . . . , γxt}

◮ Let Γ be a group such that h is Γ-invariant

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SLIDE 63

Harmonic analysis on subset spaces

◮ A group action of Γ on V extends to an action on It by

γ{x1, . . . , xt} = {γx1, . . . , γxt}

◮ Let Γ be a group such that h is Γ-invariant ◮ We may assume K to be Γ-invariant

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SLIDE 64

Harmonic analysis on subset spaces

◮ A group action of Γ on V extends to an action on It by

γ{x1, . . . , xt} = {γx1, . . . , γxt}

◮ Let Γ be a group such that h is Γ-invariant ◮ We may assume K to be Γ-invariant ◮ We have K(x, y) = π∈ˆ Γ ˆ

K(π), Zπ(x, y)

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SLIDE 65

Harmonic analysis on subset spaces

◮ A group action of Γ on V extends to an action on It by

γ{x1, . . . , xt} = {γx1, . . . , γxt}

◮ Let Γ be a group such that h is Γ-invariant ◮ We may assume K to be Γ-invariant ◮ We have K(x, y) = π∈ˆ Γ ˆ

K(π), Zπ(x, y)

◮ To construct Zπ we need a symmetry adapted basis of C(It)

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SLIDE 66

Harmonic analysis on subset spaces

◮ A group action of Γ on V extends to an action on It by

γ{x1, . . . , xt} = {γx1, . . . , γxt}

◮ Let Γ be a group such that h is Γ-invariant ◮ We may assume K to be Γ-invariant ◮ We have K(x, y) = π∈ˆ Γ ˆ

K(π), Zπ(x, y)

◮ To construct Zπ we need a symmetry adapted basis of C(It) ◮ We can construct such a basis if we know how to

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SLIDE 67

Harmonic analysis on subset spaces

◮ A group action of Γ on V extends to an action on It by

γ{x1, . . . , xt} = {γx1, . . . , γxt}

◮ Let Γ be a group such that h is Γ-invariant ◮ We may assume K to be Γ-invariant ◮ We have K(x, y) = π∈ˆ Γ ˆ

K(π), Zπ(x, y)

◮ To construct Zπ we need a symmetry adapted basis of C(It) ◮ We can construct such a basis if we know how to

  • 1. explicitly decompose C(V ) into irreducibles
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SLIDE 68

Harmonic analysis on subset spaces

◮ A group action of Γ on V extends to an action on It by

γ{x1, . . . , xt} = {γx1, . . . , γxt}

◮ Let Γ be a group such that h is Γ-invariant ◮ We may assume K to be Γ-invariant ◮ We have K(x, y) = π∈ˆ Γ ˆ

K(π), Zπ(x, y)

◮ To construct Zπ we need a symmetry adapted basis of C(It) ◮ We can construct such a basis if we know how to

  • 1. explicitly decompose C(V ) into irreducibles
  • 2. explicitly decompose tensor products of these into irreducibles
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SLIDE 69

Harmonic analysis on subset spaces

◮ A group action of Γ on V extends to an action on It by

γ{x1, . . . , xt} = {γx1, . . . , γxt}

◮ Let Γ be a group such that h is Γ-invariant ◮ We may assume K to be Γ-invariant ◮ We have K(x, y) = π∈ˆ Γ ˆ

K(π), Zπ(x, y)

◮ To construct Zπ we need a symmetry adapted basis of C(It) ◮ We can construct such a basis if we know how to

  • 1. explicitly decompose C(V ) into irreducibles
  • 2. explicitly decompose tensor products of these into irreducibles

◮ Let V = S2, Γ = O(3), and t = 2

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SLIDE 70

Harmonic analysis on subset spaces

◮ A group action of Γ on V extends to an action on It by

γ{x1, . . . , xt} = {γx1, . . . , γxt}

◮ Let Γ be a group such that h is Γ-invariant ◮ We may assume K to be Γ-invariant ◮ We have K(x, y) = π∈ˆ Γ ˆ

K(π), Zπ(x, y)

◮ To construct Zπ we need a symmetry adapted basis of C(It) ◮ We can construct such a basis if we know how to

  • 1. explicitly decompose C(V ) into irreducibles
  • 2. explicitly decompose tensor products of these into irreducibles

◮ Let V = S2, Γ = O(3), and t = 2 ◮ Decompose C(S2) into irreducibles: Spherical harmonics

slide-71
SLIDE 71

Harmonic analysis on subset spaces

◮ A group action of Γ on V extends to an action on It by

γ{x1, . . . , xt} = {γx1, . . . , γxt}

◮ Let Γ be a group such that h is Γ-invariant ◮ We may assume K to be Γ-invariant ◮ We have K(x, y) = π∈ˆ Γ ˆ

K(π), Zπ(x, y)

◮ To construct Zπ we need a symmetry adapted basis of C(It) ◮ We can construct such a basis if we know how to

  • 1. explicitly decompose C(V ) into irreducibles
  • 2. explicitly decompose tensor products of these into irreducibles

◮ Let V = S2, Γ = O(3), and t = 2 ◮ Decompose C(S2) into irreducibles: Spherical harmonics ◮ Decompose the tensor products: Clebsch-Gordan coefficients

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SLIDE 72

Invariant theory and real algebraic geometry

◮ In E∗ 2 we have the constraints

AtK(S) ≥ . . . for S ∈ I4

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SLIDE 73

Invariant theory and real algebraic geometry

◮ In E∗ 2 we have the constraints

AtK(S) ≥ . . . for S ∈ I4

◮ We can view AtK(S) as a polynomial

p: R3 × R3 × R3 × R3 → R with p(γx1, . . . , γx4) = p(x1, . . . , x4) for all γ ∈ O(3)

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SLIDE 74

Invariant theory and real algebraic geometry

◮ In E∗ 2 we have the constraints

AtK(S) ≥ . . . for S ∈ I4

◮ We can view AtK(S) as a polynomial

p: R3 × R3 × R3 × R3 → R with p(γx1, . . . , γx4) = p(x1, . . . , x4) for all γ ∈ O(3)

◮ Invariant theory: we can write AtK(S) as a polynomial in 6

inner products

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SLIDE 75

Invariant theory and real algebraic geometry

◮ In E∗ 2 we have the constraints

AtK(S) ≥ . . . for S ∈ I4

◮ We can view AtK(S) as a polynomial

p: R3 × R3 × R3 × R3 → R with p(γx1, . . . , γx4) = p(x1, . . . , x4) for all γ ∈ O(3)

◮ Invariant theory: we can write AtK(S) as a polynomial in 6

inner products

◮ To compute these polynomials we need to solve large sparse

linear systems

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SLIDE 76

Invariant theory and real algebraic geometry

◮ In E∗ 2 we have the constraints

AtK(S) ≥ . . . for S ∈ I4

◮ We can view AtK(S) as a polynomial

p: R3 × R3 × R3 × R3 → R with p(γx1, . . . , γx4) = p(x1, . . . , x4) for all γ ∈ O(3)

◮ Invariant theory: we can write AtK(S) as a polynomial in 6

inner products

◮ To compute these polynomials we need to solve large sparse

linear systems

◮ Use sum of squares techniques from real algebraic geometry to

model the inequality constraints using semidefinite constraints

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SLIDE 77

Invariant theory and real algebraic geometry

◮ In E∗ 2 we have the constraints

AtK(S) ≥ . . . for S ∈ I4

◮ We can view AtK(S) as a polynomial

p: R3 × R3 × R3 × R3 → R with p(γx1, . . . , γx4) = p(x1, . . . , x4) for all γ ∈ O(3)

◮ Invariant theory: we can write AtK(S) as a polynomial in 6

inner products

◮ To compute these polynomials we need to solve large sparse

linear systems

◮ Use sum of squares techniques from real algebraic geometry to

model the inequality constraints using semidefinite constraints

◮ We give a symmetrized version of Putinar’s theorem to exploit

the SN symmetry in the particles

slide-78
SLIDE 78

Computational results for the Thomson problem

◮ In the Thomson problem we take

V = S2 and h({x, y}) = 1 x − y

slide-79
SLIDE 79

Computational results for the Thomson problem

◮ In the Thomson problem we take

V = S2 and h({x, y}) = 1 x − y

◮ The Thomson problem has been solved for:

3 (1912), 4, 6 (1992), 12 (1996), and 5 (2010) particles

slide-80
SLIDE 80

Computational results for the Thomson problem

◮ In the Thomson problem we take

V = S2 and h({x, y}) = 1 x − y

◮ The Thomson problem has been solved for:

3 (1912), 4, 6 (1992), 12 (1996), and 5 (2010) particles

◮ E∗ 1 is sharp for 3, 4, 6, and 12 particles (Yudin’s LP bound)

slide-81
SLIDE 81

Computational results for the Thomson problem

◮ In the Thomson problem we take

V = S2 and h({x, y}) = 1 x − y

◮ The Thomson problem has been solved for:

3 (1912), 4, 6 (1992), 12 (1996), and 5 (2010) particles

◮ E∗ 1 is sharp for 3, 4, 6, and 12 particles (Yudin’s LP bound) ◮ Compute E∗ 2 numerically using semidefinite programming

slide-82
SLIDE 82

Computational results for the Thomson problem

◮ In the Thomson problem we take

V = S2 and h({x, y}) = 1 x − y

◮ The Thomson problem has been solved for:

3 (1912), 4, 6 (1992), 12 (1996), and 5 (2010) particles

◮ E∗ 1 is sharp for 3, 4, 6, and 12 particles (Yudin’s LP bound) ◮ Compute E∗ 2 numerically using semidefinite programming ◮ E∗ 2 appears to be sharp for 5 particles (6 digits of precision)

slide-83
SLIDE 83

Thank you!

◮ D. de Laat, Moment methods in energy minimization, In preparation. ◮ D. de Laat, F. Vallentin, A semidefinite programming hierarchy for

packing problems in discrete geometry, Math. Program., Ser. B 151 (2015), 529-553.

◮ D. de Laat, F.M. Oliveira, F. Vallentin, Upper bounds for packings of

spheres of several radii, Forum Math. Sigma 2 (2014), e23 (42 pages).

Image credits: Sphere packing: Grek L Elliptope: Philipp Rostalski Sodium Chloride: Ben Mills