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Anchored graph-harmonic extensions are unique and obey a maximum principle
Statement
Let , , and let be symmetric, entrywise nonnegative, and zero-diagonal. Put , , and . The support graph has edge exactly when . Two vertices lie in the same connected component exactly when a finite path of support edges joins them. Let be nonempty, , and prescribe . For index sets , let denote the submatrix with rows in and columns in , in increasing index order. Assume every support-graph component meeting also meets . Then the energy , minimized over , has exactly one minimizer. If , it is . If , the principal block is real symmetric positive definite, meaning for every nonzero , and the minimizer is . Each has and ; hence . For , if each boundary value is one-hot (one coordinate equals 1 and all others equal 0) in , the coordinatewise energy minimizers have every row in the probability simplex .
Statement references
Facts & Assumptions
Given: A finite symmetric nonnegative zero-diagonal weight matrix , its support graph and Laplacian , a nonempty boundary with prescribed values , and the assumption that every support component meeting meets . Prove the energy minimizer is unique, satisfies the block formula and maximum principle, and has the stated one-hot multiclass consequence.
Finite weighted graph Laplacian: , , , and the support graph has edge exactly when .
Graph-harmonic label extension on a finite weighted graph: the admissible extensions satisfy , their energy is , and an anchored boundary means each support component meeting meets .
Quadratic form and kernel of a weighted graph Laplacian: for every , ; this quantity vanishes exactly when is constant on each support component.
Hermitian positive-definite matrices and Cholesky factorisation A = LL* with positive diagonal: over the real numbers, a Cholesky factorization of means with lower triangular and positive diagonal; this definition does not assert that a factorization exists.
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.
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.
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
If , then and the affine set of extensions contains only . It is therefore the unique minimizer; the maximum and minimum assertions over are vacuous, and the one-hot boundary rows are in .
Suppose and put . For nonzero , extend by zero on to . By [F3], . If this sum were zero, every positive-weight edge would have equal endpoint values, so would be constant on each support component. Every component meeting meets , where , forcing , a contradiction. Thus is positive definite; it is symmetric as a principal block of the symmetric matrix .
By [F5], has a Cholesky factorization with positive diagonal. By [F6] and [F7], solving and then gives a unique vector in finitely many scalar operations.
Let and . For any , block expansion and give . This is positive for by step 1.2, so is the unique minimizer and has the stated block formula.
The equation solved in step 2.1 gives for every . If , then is an isolated support component contained in , contradicting anchoring; hence and , a weighted average of neighboring values.
Let . If , then no maximizing vertex lies in , so choose a maximizing vertex . At , the weighted-average equation in step 3.2 and force for each neighbor with positive weight. Choose a shortest finite path in its support component to ; every interior vertex lies in , so applying the same argument successively forces the boundary value at the end of the path to equal , a contradiction. Therefore .
Apply step 4.1 to , whose boundary values are and whose unlabeled coordinates satisfy the same weighted-average equations. This yields for every , completing the maximum-principle bounds.
For one-hot boundary data, let be the minimizer for coordinate and put . By step 2.1 each coordinate satisfies , and by steps 4.1 and 5.1 each is between 0 and 1. Linearity gives on , while the one-hot boundary data give . The constant-one function also has these properties because every row sum of is zero. The difference therefore has and ; positive definiteness from step 1.2 forces . Thus is identically 1, so every unlabeled row lies in .
Depends on
- Finite weighted graph Laplacian
- Graph-harmonic label extension on a finite weighted graph
- Quadratic form and kernel of a weighted graph Laplacian
- Hermitian positive-definite matrices and Cholesky factorisation A = LL* with positive diagonal
- A matrix admits a Cholesky factorisation with positive diagonal exactly when it is Hermitian positive definite, and that factor is unique
- Forward and backward substitution are correct, unique, and quadratic in scalar operations
- Cholesky solves Hermitian positive-definite systems and has about half the factorisation cost of LU
Used by
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Sources
- Xiaojin Zhu, Zoubin Ghahramani, and John Lafferty, Semi-Supervised Learning Using Gaussian Fields and Harmonic Functions, ICML 2003 (standard reference, not scraped)
- Olivier Chapelle, Bernhard Schölkopf, and Alexander Zien (editors), Semi-Supervised Learning, MIT Press, 2006 (standard reference, not scraped)