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Anchored graph-harmonic extensions are unique and obey a maximum principle

Statement

Let n≥1, V={1,…,n}, and let W=(wij)∈Rn×n be symmetric, entrywise nonnegative, and zero-diagonal. Put di=∑jwij, D=diag⁡(d1,…,dn), and L=D−W. The support graph has edge {i,j} exactly when wij>0. Two vertices lie in the same connected component exactly when a finite path of support edges joins them. Let B⊆V be nonempty, U=V∖B, and prescribe yB∈RB. For index sets S,T⊆V, let LST denote the submatrix with rows in S and columns in T, in increasing index order. Assume every support-graph component meeting U also meets B. Then the energy E(f)=12fTLf, minimized over f∣B=yB, has exactly one minimizer. If U=∅, it is f=yB. If U≠∅, the principal block LUU is real symmetric positive definite, meaning vTLUUv>0 for every nonzero v∈RU, and the minimizer is fU=−LUU−1LUByB. Each u∈U has du>0 and fu=∑jwujfj/du; hence min⁡b∈Byb≤fu≤max⁡b∈Byb. For C≥2, if each boundary value is one-hot (one coordinate equals 1 and all others equal 0) in RC, the coordinatewise energy minimizers have every row in the probability simplex ΔC={p∈[0,1]C:∑c=1Cpc=1}.

Facts & Assumptions

Given: A finite symmetric nonnegative zero-diagonal weight matrix W, its support graph and Laplacian L, a nonempty boundary B with prescribed values yB, and the assumption that every support component meeting U=V∖B meets B. Prove the energy minimizer is unique, satisfies the block formula and maximum principle, and has the stated one-hot multiclass consequence.

[F1]

Finite weighted graph Laplacian: di=∑jwij, D=diag⁡(di), L=D−W, and the support graph has edge {i,j} exactly when wij>0.

[F2]

Graph-harmonic label extension on a finite weighted graph: the admissible extensions satisfy f∣B=yB, their energy is E(f)=12fTLf, and an anchored boundary means each support component meeting U meets B.

[F3]

Quadratic form and kernel of a weighted graph Laplacian: for every g∈RV, gTLg=12∑i,jwij(gi−gj)2; this quantity vanishes exactly when g is constant on each support component.

[F4]

Hermitian positive-definite matrices and Cholesky factorisation A = LL* with positive diagonal: over the real numbers, a Cholesky factorization of M means M=RRT with R lower triangular and positive diagonal; this definition does not assert that a factorization exists.

[F5]

A matrix admits a Cholesky factorisation with positive diagonal exactly when it is Hermitian positive definite, and that factor is unique: every finite real symmetric positive-definite matrix has a unique Cholesky factorization with positive diagonal.

[F6]

Forward and backward substitution are correct, unique, and quadratic in scalar operations: forward substitution solves a lower-triangular system with nonzero diagonal uniquely, and backward substitution solves an upper-triangular system with nonzero diagonal uniquely.

[F7]

Cholesky solves Hermitian positive-definite systems and has about half the factorisation cost of LU: with that factorization, forward and backward triangular substitution solve every right-hand side in finitely many scalar operations.

Proof

1.1givenF1F2algebra

If U=∅, then B=V and the affine set of extensions contains only f=yB. It is therefore the unique minimizer; the maximum and minimum assertions over U are vacuous, and the one-hot boundary rows are in ΔC.

1.2givenF1F3algebra

Suppose U≠∅ and put M=LUU. For nonzero v∈RU, extend v by zero on B to v~∈RV. By [F3], vTMv=v~TLv~=12∑i,jwij(v~i−v~j)2. If this sum were zero, every positive-weight edge would have equal endpoint values, so v~ would be constant on each support component. Every component meeting U meets B, where v~=0, forcing v=0, a contradiction. Thus M is positive definite; it is symmetric as a principal block of the symmetric matrix L.

2.1step 1.2F5F6F7F4

By [F5], M has a Cholesky factorization M=RRT with positive diagonal. By [F6] and [F7], solving Rv=−LUByB and then RTz=v gives a unique vector z=−M−1LUByB in finitely many scalar operations.

3.1step 1.2step 2.1F2algebra

Let fB=yB and fU=z. For any h∈RU, block expansion and Mz+LUByB=0 give E(f+h)−E(f)=hT(Mz+LUByB)+12hTMh=12hTMh. This is positive for h≠0 by step 1.2, so f is the unique minimizer and has the stated block formula.

3.2step 2.1F1F2algebra

The equation solved in step 2.1 gives (Lf)u=0 for every u∈U. If du=0, then u is an isolated support component contained in U, contradicting anchoring; hence du>0 and fu=∑jwujfj/du, a weighted average of neighboring values.

4.1givenF1step 3.2choose

Let m=max⁡i∈Vfi. If m>max⁡b∈Byb, then no maximizing vertex lies in B, so choose a maximizing vertex u0∈U. At u0, the weighted-average equation in step 3.2 and fj≤m force fj=m for each neighbor with positive weight. Choose a shortest finite path in its support component to B; every interior vertex lies in U, so applying the same argument successively forces the boundary value at the end of the path to equal m, a contradiction. Therefore max⁡i∈Vfi≤max⁡b∈Byb.

5.1step 4.1algebra

Apply step 4.1 to −f, whose boundary values are −yB and whose unlabeled coordinates satisfy the same weighted-average equations. This yields min⁡b∈Byb≤fu for every u∈U, completing the maximum-principle bounds.

6.1step 1.2step 2.1step 4.1step 5.1F1algebra∎

For one-hot boundary data, let f(c) be the minimizer for coordinate c and put g=∑c=1Cf(c). By step 2.1 each coordinate satisfies (Lf(c))u=0, and by steps 4.1 and 5.1 each fu(c) is between 0 and 1. Linearity gives (Lg)u=0 on U, while the one-hot boundary data give g∣B=1. The constant-one function also has these properties because every row sum of L=D−W is zero. The difference h=g−1 therefore has h∣B=0 and LUUhU=0; positive definiteness from step 1.2 forces hU=0. Thus g is identically 1, so every unlabeled row lies in ΔC.

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