Alphabeta Math
PropositionStatement: AI-generatedProof: AI-generated
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  • Literature-sourced: the exact statement appears in a cited source; only wording and notation differ.
  • AI-adapted: a semantically identical restatement of literature-sourced material, modulo indexing, notation, and boundary cases adopted by the library.
  • AI-generated: a genuinely novel statement formulated by AI, with no source for the claim itself.

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Differentiation of symmetric periodic pair potentials

Statement

Let X be a nonempty finite set, let wxy=wyx be arbitrary real numbers for x,y∈X, and let v:R→R be even, twice continuously differentiable and 2π-periodic. Even means v(−t)=v(t), and 2π-periodic means v(t+2π)=v(t) for every real t. For θ∈RX define U(θ)=12∑x,y∈Xwxyv(θx−θy). Write (∇U)x=∂U/∂θx and let ∇2U be the matrix of second partial derivatives. Then, for every f∈RX,

(∇U)x=∑y∈Xwxyv′(θx−θy),

fT∇2Uf=12∑x,y∈Xwxyv′′(θx−θy)(fx−fy)2.

The terms with x=y contribute zero to both displayed expressions. The identities hold for signed weights; nonnegativity is an additional hypothesis when needed for a later inequality.

Facts & Assumptions

[F1]

Finite sums of differentiable real-valued functions may be differentiated termwise (Phasors, trigonometric identities and periodic derivatives). For a real constant c and a differentiable real function g, the product rule gives (cg)′=cg′: the constant function has derivative zero because all its difference quotients are zero (Sum, product, quotient, and chain rules from difference quotients).

[F2]

The derivative of a composite is the composite of its derivatives when the constituent maps are differentiable (The chain rule for total derivatives: D(g∘ f)(a)=Dg(f(a))∘ Df(a)).

[F3]

A coordinate partial derivative ∂zF(θ) is the derivative at t=0 of the real line restriction t↦F(θ+tez), where (ez)x=δxz. Iterated partial derivatives apply this definition again to the first partial maps (Directional derivatives and partial derivatives of a map U⊆ℝᵐ→ℝⁿ).

[A1]

The set, weights, function and vectors satisfy the hypotheses in the Statement.

Proof

Given: X, w, v, θ and f as in the Statement.

Goal: Prove the gradient and Hessian quadratic-form identities, including the diagonal and signed-weight assertions.

1.1A1F1F2F3algebra

Differentiate v(−t)=v(t) using [F2]. This gives −v′(−t)=v′(t), so v′ is odd and in particular v′(0)=0. By [F3], compute coordinate derivatives on θ+tez. On this line θx−θy becomes θx−θy+t(δxz−δyz), whose derivative is δxz−δyz directly from its difference quotient; here δxz is 1 if x=z and 0 otherwise. By [F1] and [F2], ∂zU=12∑x,ywxyv′(θx−θy)(δxz−δyz).

2.1A1step 1.1algebra

The first Kronecker-delta sum is 12∑ywzyv′(θz−θy). In the second, exchange the two indices and use symmetry of w and oddness of v′ from step 1.1; it becomes the same sum. Their sum is the asserted gradient component. The term y=z is zero by v′(0)=0.

3.1A1F1F2F3step 1.1step 2.1algebra∎

Since v is twice continuously differentiable, differentiating the first partial maps along coordinate lines as in [F3] and applying [F1] and [F2] gives ∂a∂bU=12∑x,ywxyv′′(θx−θy)(δxa−δya)(δxb−δyb). Multiplying by fafb and summing over a,b gives the stated quadratic form, because ∑afa(δxa−δya)=fx−fy. For x=y this factor is zero. No step uses a sign restriction on w, completing the proof.

Depends on

Used by · 8

Dependency tree · 2 levels

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