Truncated-Newton Algorithms for Large-Scale Unconstrained Optimization 2: Exact CG Meets Nonpositive Curvature Unless g Is Orthogonal to the Nonpositive Eigenspaces of HResearch Paper
Motivation
Truncated-Newton methods minimize a smooth function by taking, at each iterate , a search direction obtained by solving the Newton equation only approximately, with the linear conjugate gradient (CG) method. Here is the gradient and the Hessian of . The approach was analysed by Dembo and Steihaug (Math. Programming 26, 1983), building on the inexact Newton framework of Dembo, Eisenstat and Steihaug (SIAM J. Numer. Anal. 19, 1982), and Newton–CG with curvature tests remains a standard large-scale method (Nocedal and Wright, Numerical Optimization, Ch. 7).
Away from a minimizer the Hessian need not be positive definite, and CG on an indefinite system can produce directions along which curves downward. The Dembo–Steihaug method stops CG when it meets such a direction. A practical question follows: started at or near a stationary point that is not a local minimizer, will the method ever notice the nonpositive curvature? Theorem 2.4 of the paper answers it for exact CG: it does, except in a degenerate case described by the eigenspaces of .
Setting
Fix a symmetric linear operator on , with the Euclidean inner product and norm , and a vector . In the paper these are and at the current iterate.
The TNCG minor iteration (p. 194) runs CG on from . Its state at iteration is :
and, writing ,
At iteration the method first applies the curvature test (2.1), , and stops if it holds; otherwise it computes and applies the truncation test (2.2), , and stops if it holds. With , (2.1) reads and (2.2) reads . The method exits through (2.1) at when no test fired at any iteration and (2.1) holds at .
For the eigenspace is (A.21). The span of vectors is written ; the Krylov space of is .
Formalization targets
Goal: Theorem 2.4 (p. 197)
Let . If is not positive definite, then either the minor iteration exits through (2.1) at some iteration , so that
or
Milestones
- Theorem A.1, (A.2) and (A.5), at (p. 206). If for , then for , and .
- Theorem A.5 (p. 210). If has a nonzero projection on each eigenspace of , is the number of distinct eigenvalues, and vectors are -conjugate with and span , then is positive definite.
- The first sentence of the proof of Theorem 2.4 (p. 211). If is not orthogonal to any eigenspace of , and exact CG passes the curvature test up to iteration and ends with , then is positive definite.
Significance
The theorem is the theoretical justification, given in the paper on p. 197, for using the direction of negative curvature produced in case (ii) of the minor iteration: with exact arithmetic and no truncation, CG either produces a direction of nonpositive curvature or the gradient lies entirely in the span of eigenvectors with positive eigenvalues. The paper draws the consequence that if and the method terminates through (2.2), then, outside this rare case, is a strong local minimizer. Theorem A.5 is a self-contained statement about conjugate families in Krylov spaces, usable in any analysis of CG on indefinite systems.
The result is proved in the paper (Appendix, pp. 206–211), with the CG relations of Theorem A.1 cited from Hestenes and Stiefel. No machine-checked proof of these statements is known to this mission. Formalizing them produces a Lean development of CG on a symmetric, possibly indefinite operator, with its conjugacy and Krylov-span relations, which classical treatments state only for positive definite systems.
Difficulty
The CG relations of Theorem A.1 are usually proved for positive definite , where every denominator is positive. Here is indefinite, and the relations hold only as long as the curvature along the directions has stayed positive; the induction must carry that hypothesis and must also show the residuals do not vanish early. The passage from "CG ended with " to a statement about all eigenspaces is the second obstacle: the CG run sees only the Krylov space of , so one must relate that space to the eigenspaces that meets, using symmetry of and a count of distinct eigenvalues. A direct argument via "the directions span " fails, because when misses an eigenspace the Krylov space is a proper subspace.
Formalization scope
is EuclideanSpace ℝ (Fin n); is a continuous linear map that is self-adjoint (IsSelfAdjoint H), as the paper's is a Hessian. Positive definiteness is for all . The CG recursion is total and carries no stopping test; division by zero returns in Lean, so states after a would-be stop are junk, and the statements read the iteration only through first-exit predicates. The test (2.2) is encoded in the product form .
Theorem 2.4 is stated for an arbitrary symmetric and vector rather than at an iterate of a run of the full algorithm. It uses nothing else about or the run, and every such pair occurs as the Hessian and gradient of an admissible objective. The paper's (A.5) prints as the last Krylov vector; the correct is used.
A trivializing formalization exists and is ruled out: the first alternative is not " for some " over the unstopped recursion, which holds automatically once a residual vanishes (the recursion then continues with ); it requires that iteration is reached with no earlier exit. The goal does not assume conjugacy, the Krylov span identity, or the hypotheses of Theorem A.5.
A complete development needs the spectral theorem for self-adjoint operators on finite-dimensional spaces (in Mathlib), finiteness of the set of eigenvalues, and the CG invariants. The CG lemmas are reusable for any Newton–CG or trust-region CG analysis. Proofs of the milestones, and of auxiliary CG invariants such as (A.3)–(A.4), are welcome.
Selected references
- R. S. Dembo and T. Steihaug, Truncated-Newton algorithms for large-scale unconstrained optimization, Mathematical Programming 26 (1983) 190–212. https://doi.org/10.1007/BF02592055
- R. S. Dembo, S. C. Eisenstat and T. Steihaug, Inexact Newton methods, SIAM Journal on Numerical Analysis 19 (1982) 400–408. https://doi.org/10.1137/0719025
- M. R. Hestenes and E. Stiefel, Methods of conjugate gradients for solving linear systems, Journal of Research of the National Bureau of Standards 49 (1952) 409–436. https://doi.org/10.6028/jres.049.044
- T. Steihaug, The conjugate gradient method and trust regions in large scale optimization, SIAM Journal on Numerical Analysis 20 (1983) 626–637. https://doi.org/10.1137/0720042
- J. Nocedal and S. J. Wright, Numerical Optimization, 2nd ed., Springer, 2006. https://doi.org/10.1007/978-0-387-40065-5