Conjugate Gradient Methods with Inexact Searches: The Self-Scaled Direction Is a Multiple of Beale's Restart DirectionResearch Paper
Motivation
Conjugate gradient methods minimize a smooth function using only gradients and a handful of stored vectors. This makes them the standard choice when is too large for Newton or quasi-Newton methods, which store an matrix. On a strictly convex quadratic with exact line searches the classical method of Hestenes and Stiefel terminates in at most steps. On general functions, and with the inexact line searches used in practice, its behaviour is much less clear.
D. F. Shanno's 1978 paper in Mathematics of Operations Research (doi:10.1287/moor.3.3.244) links conjugate gradient methods to quasi-Newton methods. It writes the search direction as , where is a positive definite approximation of the inverse Hessian that is never stored. The resulting "memoryless" BFGS directions give descent without exact line searches. The paper's new algorithm uses two BFGS updates: one from the last restart and one from the current step. Its first update is scaled by the Oren–Spedicato factor . Shanno and Phua's CONMIN code implements the algorithm, and the memoryless BFGS direction is the one-pair case of the later limited-memory BFGS methods.
- 1952: Hestenes and Stiefel, linear conjugate gradients.
- 1964: Fletcher and Reeves, nonlinear conjugate gradients.
- 1969: Polak and Ribière, a second nonlinear variant.
- 1972: Beale, a restart procedure that keeps the computed direction .
- 1977: Powell's restart criterion (Powell 1977).
- 1978: Shanno's reformulation as memoryless and two-update quasi-Newton methods (this paper).
Setting
Vectors are columns in . A prime denotes transpose: is the inner product and the outer product. An iterative method produces points , steps along search directions , gradients , and gradient changes . A line search is exact when .
The BFGS update of a matrix with the pair is
A restart cycle begins at iteration . At a later iteration , Shanno's self-scaled restart matrix is
The matrix is its BFGS update with , and the self-scaled two-update direction is . The unscaled variant uses the BFGS update of in place of the first matrix.
Beale's direction is
The quadratic case has gradient with symmetric positive definite.
Formalization targets
Goal: reduction of the self-scaled method to Beale's method
Let be symmetric positive definite, and . Assume that for we have , and , that for , and that . Then
This is the paper's claim that "for quadratic with exact searches each of the above methods reduces exactly to Beale's method defined by (28)", with the conclusion (44). The scale is exactly .
Companion statements
- The unscaled two-update direction equals Beale's direction exactly.
- Both two-update directions are descent directions, , whenever and . No exact search is needed.
Milestones on the path
- (34): the expansion of .
- (40): its form under an exact search.
- (41): gradients along a run on a quadratic.
- .
- (38), corrected by a factor 2: the action of the self-scaled restart matrix.
- (42): its form when .
- (43): the direction after substitution.
Significance
The result. The reduction says that the new algorithm reproduces Beale's restarted conjugate gradient directions on a quadratic with exact line searches. So it keeps the finite-termination and rate-of-convergence properties behind Beale's restart. Away from that setting it behaves as a quasi-Newton method, whose directions are descent directions under any line search with . The two regimes are what justify relaxing the line search, which the paper's computations exploit. The scale changes only the length of the step, not its direction.
Formalizing it. The claim is proved in the paper by a short computation, and no machine-checked version is known. This mission produces:
- a checked statement of the claim with every hypothesis explicit, including the conjugacy the proof takes as known;
- a corrected version of display (38), which is misprinted;
- reusable definitions of the additive BFGS update and of Beale's direction.
Difficulty
The obvious attempt is to expand both BFGS updates symbolically and compare with Beale's formula. This fails without two facts that are not algebraic identities. The first is that the restart step stays orthogonal to every later gradient, . It needs the affine gradient of a quadratic, the exact search at the restart step, and conjugacy of with all later steps. The second is , which again comes from conjugacy. Beale's formula also has to be matched in its -form: the coefficient equals only when the step length is nonzero. The descent statements need a different argument: the BFGS update of a positive definite matrix with must be shown to remain positive definite, and this has to be done twice.
Formalization scope
Vectors are Fin n → ℝ and matrices Matrix (Fin n) (Fin n) ℝ. The inner product is u ⬝ᵥ v, the outer product is vecMulVec u v, and is H *ᵥ v. The quadratic enters only through its gradient A *ᵥ x + c with A.PosDef. The paper's (4) is the case . Iterates, steps, directions and gradients are sequences indexed by ℕ. Division is Lean's total division. Every statement that divides therefore carries hypotheses making its denominators nonzero: and in the quadratic statements, and or in the generic ones.
The conjugacy for is a hypothesis, exactly as the paper's proof uses it. It is not derived from a full run of Beale's algorithm. The range of Beale's formula is not assumed.
Several formalizations would make the claim easier than the paper's, and none of them is used:
- defining the direction by the expanded formula (34), or the restart matrix by (38);
- adding orthogonality or conjugacy hypotheses beyond those listed;
- concluding only that the two directions are parallel;
- dropping the restart term of Beale's direction;
- allowing a zero denominator.
The generic milestones — (34), (40), (38), (42), (43) and the descent statements — are statements about arbitrary vectors and matrices and are reusable for any BFGS-based method. Proofs of any milestone, and alternative derivations of the goal, are welcome.
Selected references
- D. F. Shanno, Conjugate Gradient Methods with Inexact Searches, Mathematics of Operations Research 3(3) (1978) 244–256. https://doi.org/10.1287/moor.3.3.244
- E. M. L. Beale, A derivation of conjugate gradients, in F. A. Lootsma (ed.), Numerical Methods for Nonlinear Optimization, Academic Press, 1972, 39–43.
- M. J. D. Powell, Restart procedures for the conjugate gradient method, Mathematical Programming 12 (1977) 241–254. https://doi.org/10.1007/BF01593790
- 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
- S. S. Oren and E. Spedicato, Optimal conditioning of self-scaling variable metric algorithms, Mathematical Programming 10 (1976) 70–90. https://doi.org/10.1007/BF01580654