44.03.04 · optimization-control / unconstrained-optimization

Quasi-Newton Methods: BFGS, DFP, and SR1

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Anchor (Master): Nocedal & Wright 2006 Numerical Optimization 2e (Springer) §6.1-6.4 and §3.4 (the Broyden class, SR1 and its indefiniteness handling, the Dennis-Moré characterisation of superlinear convergence, the self-correcting property of BFGS, and the global-convergence theorem for BFGS with Wolfe line search); Dennis & Schnabel 1996 Numerical Methods for Unconstrained Optimization and Nonlinear Equations (SIAM) §9; Dennis & Moré 1977 Quasi-Newton methods, motivation and theory (SIAM Review)

Intuition Beginner

Newton's method is fast because it reads the curvature of the landscape — how the slope changes — and uses it to aim each step. The catch is that reading the curvature means computing a whole table of second derivatives, the Hessian, at every point. For a problem in thousands of variables that table is enormous and expensive, and sometimes you do not even have a formula for it. Quasi-Newton methods keep almost all of Newton's speed while never computing a single second derivative.

The trick is to learn the curvature as you go. Every time you take a step, you get to see two gradients: the one where you started and the one where you landed. The way the gradient changed across that step is a free measurement of the curvature along that direction. A quasi-Newton method stores a running guess of the curvature and, after each step, nudges that guess so it agrees with the new measurement. Over a handful of steps the guess sharpens into a good stand-in for the true Hessian, and the method starts taking near-Newton steps.

Think of it like mapping a dark room by walking through it. You cannot see the walls, but each time you move and feel how the floor tilts differently, you update your mental map. You never measure the whole room at once; you refine a picture from the changes you feel step by step. The requirement that the room "curve upward" along each step — so your map stays a sensible bowl rather than a saddle — is supplied by the same line-search rule from the previous unit, which guarantees the measured curvature is positive.

Visual Beginner

Picture a one-dimensional slice again: height against position. Newton fits a parabola using the exact bend at your current point. A quasi-Newton method has no exact bend to use, so instead it draws a parabola whose slope matches the gradient you measured at both the old point and the new point. A parabola is pinned down by requiring its slope to pass through those two slope readings — that single requirement is the secant condition, and it forces the parabola's curvature to equal the average rate at which the slope changed between the two points.

method curvature it uses cost per step speed near a minimum
steepest descent none (slope only) cheapest slow, zig-zag
Newton exact Hessian expensive (build + solve) digits double
quasi-Newton learned from gradient changes cheap (no second derivatives) digits almost double

The takeaway: by matching the slope at two points instead of the exact bend at one, a quasi-Newton method estimates curvature for free from gradients it already had to compute, and refines that estimate every step.

Worked example Beginner

Take the simple bowl in one variable, whose true curvature is the number . Suppose but pretend we do not know it; we will recover it from two gradient readings. The gradient (slope) is .

Start at . The slope there is . Take a step to . The slope there is . Now form the two step quantities a quasi-Newton method records: how far we moved, , and how much the slope changed, .

The secant estimate of the curvature is the change in slope divided by the distance moved:

That is exactly the true curvature . On a perfect bowl, two gradient readings pin the curvature down precisely, so the learned model becomes the true Newton model after a single step.

Check the curvature is positive the way the line-search rule guarantees: . A positive product means the slope rose as we moved in the positive direction (or fell as we moved in the negative direction), the signature of a curve that bends upward — a sensible bowl to step into.

What this tells us: the pair of "distance moved" and "slope change" carries the curvature, and dividing one by the other recovers it. In many variables you cannot simply divide, so the update rules of this unit are the careful matrix version of this same one-number idea, and the positive product is what keeps the matrix a genuine bowl.

Check your understanding Beginner

Formal definition Intermediate+

Let be twice continuously differentiable with gradient . A quasi-Newton method is a line-search method 44.03.01 whose search direction uses a symmetric positive-definite matrix approximating the inverse Hessian , equivalently solves with . After each step define the secant pair

The defining requirement is the secant equation

which forces the updated model to reproduce the gradient change across the last step: it is the multivariable form of "average curvature equals slope-change over displacement", since by Taylor's theorem 02.05.05 , so matches the average Hessian along the segment. The secant equation admits a symmetric positive-definite solution only when the curvature condition

holds; this is guaranteed at every iteration by the Wolfe curvature condition of the line search 44.03.01, since .

The secant equation underdetermines (it is equations on a symmetric matrix), so a quasi-Newton method selects the update by a least-change principle. Writing , the two classical rank-two updates are the DFP (Davidon-Fletcher-Powell) update of the Hessian approximation

and the BFGS (Broyden-Fletcher-Goldfarb-Shanno) update

These are dual: interchanging and carries one into the other. Applying the Sherman-Morrison-Woodbury formula to the rank-two updates gives the inverse-Hessian forms used in practice (no linear solve, per step): the BFGS inverse update is

and the DFP inverse update is .

The symmetric rank-one (SR1) update solves the secant equation with a single symmetric rank-one correction,

which exists whenever the denominator is nonzero but is not required to be positive definite; SR1 can build an indefinite approximation that tracks the true Hessian's negative curvature, making it natural inside a trust region 44.03.02 rather than a line search. A standard safeguard skips the update when for a small (say ). The Broyden class interpolates the two rank-two updates,

with giving BFGS, giving DFP, and the convex (restricted) Broyden class. The new symbols , (secant pair), , (Hessian and inverse-Hessian approximations), , and the SR1/Broyden updates are recorded in _meta/NOTATION.md.

Counterexamples to common slips Intermediate+

  • "Any symmetric matrix solving the secant equation will do." The secant equation is satisfied by infinitely many symmetric matrices when ; without a least-change selection the iteration can drift to an approximation unrelated to the Hessian. DFP and BFGS are the minimum-change secant updates in a weighted Frobenius norm, which is what makes them stable.

  • "BFGS needs only for efficiency." Positivity is necessary for existence of a positive-definite secant update: if no symmetric positive-definite can satisfy , because that would give . The Wolfe line search is therefore not optional flavouring but the mechanism that makes the update well posed.

  • "SR1 is just a cheaper BFGS." SR1 deliberately abandons positive-definiteness; its denominator can vanish or turn the correction indefinite. It is preferred precisely where indefiniteness is informative — inside a trust region that can exploit negative curvature — and is unsafe as a stand-alone line-search Hessian model without the skipping safeguard.

  • "Quasi-Newton converges quadratically like Newton." It does not. Because only approximates the Hessian, the rate is superlinear, not quadratic; the Dennis-Moré condition characterises exactly when this superlinear rate is achieved, and it requires the approximation to act like the true Hessian along the step directions, not everywhere.

Key theorem with proof Intermediate+

The signature structural result is that the BFGS update propagates positive-definiteness: if the current model is a genuine bowl and the measured curvature is positive, the next model is a genuine bowl too. This is what guarantees the quasi-Newton direction stays a descent direction at every iteration without any explicit safeguard, so the globalisation theory of the previous unit applies unchanged.

Theorem (hereditary positive-definiteness of BFGS). Let be symmetric positive definite and let the curvature condition hold. Then the BFGS update

is symmetric positive definite.

Proof. Symmetry is plain since each term is symmetric. Take any and evaluate the quadratic form. Write and , both well defined because has a symmetric positive-definite square root 01.01.13. Then

so the middle term contributes

By the Cauchy-Schwarz inequality , so this quantity is , and it equals only when and are parallel, i.e. for some scalar . The last term contributes because . Hence

It remains to rule out equality. Suppose . Both nonnegative summands must vanish. The first vanishes only if , ; substituting into the second, because and , so the second summand is strictly positive — a contradiction. Therefore for all , and .

Bridge. This is the foundational reason BFGS needs no descent-direction safeguard: makes a descent direction automatically, so the Wolfe line search of 44.03.01 always supplies a positive , which keeps , and the invariant propagates for the whole run. The argument builds toward the global-convergence theorem of the Advanced results, where this hereditary positivity is exactly the hypothesis that lets the angle-bounded Zoutendijk machinery apply, and it appears again in the inverse form: the same computation on shows the inverse update preserves positive-definiteness, which is what makes the direction computation legitimate. The central insight is that the curvature condition — itself a gift of the Wolfe line search — is precisely the algebraic hypothesis under which a positive-definite secant update can exist at all; this is exactly the dual of the descent property of Newton's method 44.03.03, where positive-definiteness of the exact Hessian played the same role. Putting these together, the line search owns globalisation and the secant update owns the local model, and the bridge is the curvature condition that ties the two together so the quasi-Newton direction is a descent direction at every step.

Exercises Intermediate+

Advanced results Master

Quasi-Newton methods replace the exact Hessian solve of Newton's method 44.03.03 by a secant-updated model, and the theory below organises around three facts: the least-change variational characterisation that singles out BFGS and DFP, the Dennis-Moré characterisation that pins superlinear convergence to step-directional Hessian fidelity, and the self-correcting and global-convergence properties that make BFGS the default unconstrained optimiser.

Theorem 1 (least-change secant characterisation). Among all symmetric matrices satisfying the secant equation , the DFP update is the unique minimiser of the weighted Frobenius distance with any symmetric weight satisfying (e.g. for the average Hessian , which makes the derivation affine invariant). Dually, the BFGS update is the unique minimiser of the same weighted-Frobenius least-change problem on the inverse approximation , subject to , with weight satisfying . This variational origin explains the stability of both updates: they change the current model as little as the new curvature measurement permits, so a single inaccurate secant pair cannot corrupt the accumulated information [Dennis, J. E. & Schnabel, R. B. — Numerical Methods for Unconstrained Optimization and Nonlinear Equations].

Theorem 2 (Dennis-Moré superlinear characterisation). Let with , , and Lipschitz near . If the quasi-Newton iteration takes unit steps with nonsingular, then the convergence is q-superlinear if and only if

The condition demands only that act like the true Hessian along the step directions , not that ; indeed BFGS and DFP need not converge to the true Hessian and yet attain the superlinear rate. This is the precise sense in which quasi-Newton trades Newton's quadratic rate for a superlinear one while shedding second derivatives [Dennis, J. E. & Schnabel, R. B. — Numerical Methods for Unconstrained Optimization and Nonlinear Equations].

Theorem 3 (self-correcting property and global convergence of BFGS). On a twice-differentiable convex whose Hessian is bounded and Lipschitz on the level set , BFGS with a Wolfe line search 44.03.01 from any positive-definite converges to the minimiser, and the rate is superlinear. The mechanism is the self-correcting property: if at some iteration has badly distorted eigenvalues (too large or too small), the BFGS update tends to repair them over the next few iterations, because the trace and determinant identities

force a Lyapunov-type quantity (the Powell function ) to stay controlled, bounding the iterations on which the search direction is poorly scaled. DFP lacks an equally strong self-correcting mechanism, which is the practical reason BFGS is preferred [Nocedal, J. & Wright, S. J. — Numerical Optimization (2nd ed.)].

Theorem 4 (SR1 and indefiniteness; trust-region convergence to the Hessian). The SR1 update, when the safeguard is satisfied, generates approximations that converge to the true Hessian even on nonconvex problems: under uniform linear independence of the steps and a Lipschitz Hessian, for SR1, a stronger conclusion than BFGS gives. Because SR1 does not enforce positive-definiteness, it captures negative curvature and is therefore the natural Hessian model inside a trust-region method 44.03.02, where indefiniteness is handled by the subproblem rather than forbidden. The price is the possibility of a vanishing or sign-changing denominator, which the skipping safeguard controls; skipped updates are rare and do not impede convergence [Nocedal, J. & Wright, S. J. — Numerical Optimization (2nd ed.)].

Theorem 5 (the Broyden class and quadratic termination). For the convex Broyden class with , every member preserves positive-definiteness under the curvature condition and satisfies the secant equation. On a strongly convex quadratic with exact line search, every Broyden-class method generates conjugate directions with respect to the Hessian and therefore terminates at the exact minimiser in at most steps, building exactly. This quadratic-termination property links quasi-Newton methods to the conjugate-gradient method 44.03.06: BFGS with exact line search and generates the same iterates as linear conjugate gradient on a quadratic, which is the structural reason limited-memory L-BFGS 44.03.05 behaves like a preconditioned nonlinear CG on large problems [Nocedal, J. & Wright, S. J. — Numerical Optimization (2nd ed.)].

Synthesis. Quasi-Newton optimization is one construction — approximate the Hessian by the least-change symmetric matrix satisfying the secant equation — and its entire theory descends from a single algebraic gift: the curvature condition , supplied free by the Wolfe line search 44.03.01, is exactly the hypothesis under which a positive-definite secant update exists, and this is the foundational reason BFGS needs no descent safeguard while propagating positive-definiteness hereditarily. The central insight is the division of labour inherited from the previous units: the line search owns globalisation, the secant update owns the local curvature model, and the Dennis-Moré condition reveals that superlinear speed requires the model to match the true Hessian only along the step directions — this is exactly the relaxation of Newton's requirement that the exact Hessian be used, and it is what buys the dimensionless escape from second derivatives. The BFGS and DFP updates are dual under the , interchange, and putting these together with the Sherman-Morrison-Woodbury inverse forms gives the per-step cost that is the whole practical point.

The bridge forward is explicit. The same secant idea that here approximates a symmetric Hessian generalises to the nonsymmetric Jacobian of root-finding 43.02.03, from which Broyden's method descends; the conjugate-direction property of the Broyden class is dual to the conjugate-gradient method 44.03.06, so BFGS is a memory-rich CG and L-BFGS 44.03.05 is the memory-limited bridge between them; SR1's tolerance of indefiniteness makes it the Hessian model of choice inside trust-region methods 44.03.02, where the subproblem rather than the line search absorbs negative curvature. What Newton's method 44.03.03 achieves with the exact Hessian, quasi-Newton achieves with a learned one — slightly slower, vastly cheaper — and the learned model is the central object every large-scale solver carries forward.

Full proof set Master

Proposition 1 (hereditary positive-definiteness of BFGS). If and , then .

Proof. As in the Key theorem. For set , (square root exists by the spectral theorem 01.01.13); then . Cauchy-Schwarz makes the first summand with equality only if , ; in that case makes the second summand strictly positive. Hence .

Proposition 2 (curvature condition is necessary for a positive-definite secant update). If satisfies , then .

Proof. Left-multiply the secant equation by : because and (else and no step was taken).

Proposition 3 (SR1 satisfies the secant equation and is the unique symmetric rank-one secant update). With and , the matrix is the unique symmetric matrix of the form satisfying .

Proof. Existence: . Uniqueness: any symmetric rank-one secant update has the form with , i.e. . Thus is parallel to , say (absorbing scale into ), and forces .

Proposition 4 (DFP and BFGS are dual). The DFP update of has the same algebraic form as the BFGS update of under the interchange , ; consequently as displayed, and .

Proof. Apply the Sherman-Morrison-Woodbury formula to the rank-two BFGS update , grouping the two rank-one corrections as a rank-two with . The inversion yields, after simplification using , the congruence form . Comparing this expression for with the DFP formula for shows they are identical under , ; the verification is the computation of Exercise 5.

Proposition 5 (BFGS trace/determinant identities and the Powell function). The BFGS update obeys and , so the Powell function changes by a quantity bounded in terms of the cosines of the angles between , , and .

Proof. The determinant identity follows from the matrix-determinant lemma applied twice to the rank-one corrections, or from the factorisation where , : the projector has eigenvalues (multiplicity ) and , and the added rank-one term restores a single eigenvalue equal to , giving the stated determinant ratio. The trace identity is immediate from linearity of the trace applied to the three terms, using and . Substituting both into and writing , expresses the change in in terms of these angle and curvature ratios, which remain bounded under the level-set Hessian bounds — the inequality that drives the global-convergence proof.

Proposition 6 (Dennis-Moré: superlinear convergence under unit steps). Under , , , Lipschitz near , and unit steps with nonsingular, the convergence is q-superlinear if and only if .

Proof. The unit step gives , and with . Then

Since and with , subtracting yields after collecting the unit-step identity, so

The Lipschitz bound makes , so dividing by (comparable to near the solution) shows exactly when . The reverse implication runs the same identity backward: superlinearity forces , whence .

Connections Master

  • Newton's method for optimization 44.03.03 is the parent construction quasi-Newton approximates: where Newton forms and solves with the exact Hessian, quasi-Newton substitutes the secant-updated , trading the quadratic rate for the superlinear rate of the Dennis-Moré theorem while eliminating second derivatives entirely. The descent property that Newton derives from becomes here the hereditary positive-definiteness of BFGS, and the modified-Newton constructions that repair an indefinite exact Hessian have their quasi-Newton counterpart in SR1, which instead embraces indefiniteness for trust-region use.

  • Line-search methods and the Wolfe conditions 44.03.01 supply the single hypothesis the whole theory turns on: the Wolfe curvature condition forces , which is exactly the condition under which a positive-definite secant update exists (Proposition 2), so the line search and the secant update are not independent components but a matched pair. The Zoutendijk angle-condition machinery of that unit is what converts BFGS's hereditary positive-definiteness into the global-convergence theorem, since a positive-definite keeps the search direction angle-bounded away from orthogonality to the gradient.

  • The spectral theorem for symmetric operators 01.01.13 is the algebraic engine of the positive-definiteness proofs: the symmetric square root used in the hereditary-positivity argument, the eigenvalue analysis behind the trace-determinant identities and the Powell function, and the very statement that means all eigenvalues are positive all rest on it. Multivariable Taylor expansion 02.05.05 provides the average-Hessian identity that interprets the secant equation as average-curvature matching and powers the Dennis-Moré error recursion.

  • Limited-memory L-BFGS 44.03.05, nonlinear conjugate gradient 44.03.06, trust-region methods 44.03.02, and Broyden's method for nonlinear equations 43.02.03 are the downstream consumers and siblings: L-BFGS stores only the last secant pairs to apply implicitly in for large , the Broyden-class conjugate-direction property makes BFGS with exact line search coincide with linear CG on a quadratic, SR1 is the indefiniteness-tolerant Hessian model inside trust regions, and the nonsymmetric Jacobian version of the secant update is exactly Broyden's root-finding method. Quasi-Newton is thus the hub from which large-scale smooth optimization radiates.

Historical & philosophical context Master

The quasi-Newton idea originated with William C. Davidon in 1959, a physicist at Argonne National Laboratory who, frustrated by unreliable derivative-free methods on a coordinate-descent code, devised a "variable metric" method that builds a Hessian model from successive gradients; his report went unpublished for decades and appeared only in 1991 [Davidon 1959]. Roger Fletcher and Michael Powell recast and popularised Davidon's method in 1963, producing what is now the DFP update [Fletcher-Powell 1963]. The superior BFGS update was discovered independently in 1970 by Charles Broyden, Roger Fletcher, Donald Goldfarb, and David Shanno, four authors whose initials name it, each arriving at the same rank-two update from a different motivation — least-change, duality with DFP, and self-scaling among them.

The theoretical foundations were consolidated by John Dennis and Jorge Moré, whose 1977 survey Quasi-Newton methods, motivation and theory established the least-change variational characterisation and the superlinear-convergence condition that bears their names [Dennis-More 1977], and by the textbook treatments of Dennis and Schnabel and of Nocedal and Wright, the latter giving the global-convergence analysis of BFGS via the Powell function. The symmetric rank-one update, though older as a formula, was rehabilitated for trust-region use by Conn, Gould, and Toint in the late 1980s when its convergence-to-the-true-Hessian property was proved under the skipping safeguard [Conn-Gould-Toint 1991]. The limited-memory variant L-BFGS, due to Jorge Nocedal in 1980, made the method the default for large-scale smooth optimization and machine learning [Nocedal 1980].

Bibliography Master

@book{nocedalwright2006,
  author    = {Nocedal, Jorge and Wright, Stephen J.},
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  publisher = {Springer},
  year      = {2006}
}

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  note      = {Reprint of the 1983 Prentice-Hall edition}
}

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  title   = {Quasi-Newton methods, motivation and theory},
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  volume  = {19},
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  year    = {1977},
  pages   = {46--89}
}

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  author  = {Fletcher, Roger and Powell, Michael J. D.},
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  number  = {2},
  year    = {1963},
  pages   = {163--168}
}

@techreport{davidon1959,
  author      = {Davidon, William C.},
  title       = {Variable metric method for minimization},
  institution = {Argonne National Laboratory},
  number      = {ANL-5990 (Rev.)},
  year        = {1959},
  note        = {Reprinted in SIAM Journal on Optimization 1 (1991), 1--17}
}

@article{conngouldtoint1991,
  author  = {Conn, Andrew R. and Gould, Nicholas I. M. and Toint, Philippe L.},
  title   = {Convergence of quasi-Newton matrices generated by the symmetric rank one update},
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  year    = {1991},
  pages   = {177--195}
}

@article{nocedal1980,
  author  = {Nocedal, Jorge},
  title   = {Updating quasi-Newton matrices with limited storage},
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}