Variable Metric Method for Minimization: Davidon's Rank-One Variable-Metric Update Recovers the Inverse Hessian of a Quadratic in N Steps and Then Steps to the Exact MinimumResearch Paper
Motivation
Quasi-Newton methods minimize a smooth function using gradients only, while building up an approximation to the inverse of the Hessian matrix from the changes of gradient they observe. They are the default algorithms of unconstrained nonlinear optimization: BFGS and its limited-memory variant L-BFGS sit inside most numerical optimization libraries and most large-scale fitting codes in statistics and machine learning.
The family starts with William C. Davidon's Argonne report ANL-5990 of 1959, Variable Metric Method for Minimization, rejected by a journal in 1957 and published only in 1991 as the first article of the SIAM Journal on Optimization, with a preface by the author (DOI 10.1137/0801001). The report's body describes a flowchart algorithm; its Appendix describes "a simplified method embodying some of the ideas" of that algorithm, in one and a half pages. That simplified method is what is now called the symmetric rank-one (SR1) update, and the Appendix contains its quadratic-termination property: on a quadratic, after at most steps the trial matrix equals the inverse Hessian, and the next step lands at the minimum.
Timeline.
- 1952: Hestenes and Stiefel's conjugate gradient method minimizes a strictly convex quadratic in at most steps (J. Res. NBS 49); Davidon cites it as [2].
- 1959: Davidon's ANL-5990, including the Appendix method treated here.
- 1963: Fletcher and Powell simplify the body's method into the DFP update and prove its quadratic termination with exact line searches (Comput. J. 6).
- 1967: Broyden's survey of quasi-Newton methods discusses the symmetric rank-one update (Math. Comp. 21); textbooks later analyse it under the name SR1.
- 1980: Nocedal's limited-storage BFGS, whose termination on quadratics with exact line searches is a separate Prove2Me mission (Math. Comp. 35).
Setting
Vectors are elements of and matrices are real . Fix a symmetric positive definite matrix and a point , and let
a quadratic with constant Hessian and minimum point . Its gradient is , display (6) of the Appendix.
The method keeps a point and a symmetric trial matrix , which plays the role of . Write . One iteration is
a full step with no line search followed by a symmetric rank-one update. With the two scalars
footnote 2 of the Appendix fixes the coefficient on a quadratic to , which makes the paper's quality measure of (4) vanish. Write for the step and for the change of gradient. The paper writes , , for the current quantities and , , for the updated ones, and uses the letter both for the number of variables and for the scalar ; here the number of variables is .
Formalization targets
Goal: termination in steps
If is symmetric and for every , then
This is the sentence after (8) on p. 17: "After no more than steps (for which ), will equal and the following step will be to the exact minimum."
Milestones
- Display (6): the gradient of is .
- Display (8): with and , .
- Display (7): if then , for any coefficient .
- The sentence "so that becomes another such eigenvector", read along the run: if for , then for every .
Further statements of the Appendix
- Condition 1 (p. 16): if is positive definite and with , then is positive definite.
- The constraint remark (p. 17): for any function and any coefficients, if is symmetric and , then every step is perpendicular to and is conserved.
- Table (5) (p. 16): for general (non-quadratic) , the coefficient that minimizes subject to condition 1, and the minimum value, on each of five ranges of .
Significance
The termination theorem says that on a quadratic the rank-one update recovers the exact inverse Hessian from gradient differences, without line searches and without positive definiteness of the trial matrix, and then takes the Newton step. This is the property that justifies the name "variable metric": the metric converges to the one that makes the problem trivial. The secant equation (8) and the persistence of earlier secant equations (7) are the template for the analysis of every later quasi-Newton update, and the SR1 update remains in use in trust-region methods because it does not force positive definiteness.
The result is classical and its proof is short; what this mission adds is a machine-checked version stated in the paper's own form. In particular the hypothesis is the paper's: only that each of the first coefficients is defined. Textbook statements of SR1 termination often assume in addition that the steps are linearly independent; the paper does not, and the formal goal does not either. No Lean formalization of SR1, DFP or BFGS termination was found in Mathlib or on Prove2Me. On Prove2Me, the related open targets are L-BFGS termination (Nocedal 1980) and conjugate-gradient termination (Hestenes–Stiefel 1952); the definitions here are independent of theirs.
Difficulty
Each update changes by a rank-one term, and nothing in a single step forces to be : the coefficient depends on the current iterate and the update could, a priori, destroy what earlier steps achieved, as general rank-one updates do. The obvious count — steps, conditions — does not by itself give independent conditions on ; the steps produced by the method are not chosen to be independent, and the only hypothesis available is that the denominators are nonzero. The difficulty is to get the full conclusion from that hypothesis alone, without assuming independence, positive definiteness of , or a line search.
Formalization scope
Vectors are Fin n → ℝ with 0-based indices, matrices Matrix (Fin n) (Fin n) ℝ; is u ⬝ᵥ (H *ᵥ v) and is vecMulVec (H *ᵥ g) (H *ᵥ g). The definition file DavidonVM.Termination.Method provides quad, grad, Nval, Mval, the run predicate IsRunWith for an arbitrary gradient field and coefficients, and IsQuadRun for the quadratic with ; DavidonVM.Termination.Delta provides the update and the quantity of (4).
Committed conventions, each a reading of something the paper leaves implicit:
- The function is an explicit quadratic with constant symmetric positive definite ("in the neighborhood of a minimum"); the run's gradient field is , and milestone 1 ties it to the quadratic. The goal uses positive definiteness; milestones use only symmetry where that suffices; the secant milestone needs nothing on .
- Only is assumed symmetric (the paper, p. 4: "It is to be symmetric"); positive definiteness of is not assumed.
- "Steps for which " is read through footnote 2 as . Lean's real inverse gives , so without this hypothesis the update would silently leave unchanged.
- The stopping rule "provided that is greater than some preassigned " is not modelled; the run continues for every , and the goal looks at steps only.
- is Mathlib's matrix inverse, the true inverse since is positive definite.
A statement of the goal with the extra hypothesis " are linearly independent", or with assumed, would be a weaker theorem than the paper's and is ruled out. The case is trivial; the hypotheses are jointly satisfiable for (checked locally).
Welcome contributions: proofs of the four milestones and the goal; general facts about rank-one updates (determinant and positive definiteness, Sherman–Morrison form of the inverse) that the further statements need and that are reusable for DFP, BFGS and trust-region analyses.
Selected references
- W. C. Davidon, Variable Metric Method for Minimization, SIAM J. Optim. 1(1) (1991) 1–17 (Argonne report ANL-5990, 1959). https://doi.org/10.1137/0801001
- M. R. Hestenes and E. Stiefel, Methods of conjugate gradients for solving linear systems, J. Res. Nat. Bur. Standards 49 (1952) 409–436. https://doi.org/10.6028/jres.049.044
- R. Fletcher and M. J. D. Powell, A rapidly convergent descent method for minimization, Comput. J. 6 (1963) 163–168. https://doi.org/10.1093/comjnl/6.2.163
- C. G. Broyden, Quasi-Newton methods and their application to function minimisation, Math. Comp. 21 (1967) 368–381. https://doi.org/10.1090/S0025-5718-1967-0224273-2
- J. Nocedal, Updating quasi-Newton matrices with limited storage, Math. Comp. 35 (1980) 773–782. https://doi.org/10.1090/S0025-5718-1980-0572855-7