A Stochastic Quasi-Newton Method for Large-Scale Optimization: The Expected Suboptimality Bound of the SQN MethodResearch Paper
Motivation
Training a statistical model by empirical risk minimization means minimizing an average of losses over a parameter vector , where both and can be in the millions. Stochastic gradient descent (SGD) is the standard method: each step uses the gradient of a small random batch of losses. It is cheap per step but sensitive to the scaling of the problem. Quasi-Newton methods such as L-BFGS correct the scaling in deterministic optimization, but naive stochastic versions are unstable, because differences of noisy gradients are poor curvature estimates.
Byrd, Hansen, Nocedal and Singer (SIAM J. Optim. 26(2), 2016) proposed the stochastic quasi-Newton (SQN) method. It decouples the two estimates: gradients come from small batches at every step, while curvature pairs are formed only every steps, from averaged iterates and subsampled Hessian–vector products. The paper's analysis (Section 3) shows that the method keeps the expected suboptimality rate of SGD on strongly convex problems. The same eigenvalue bound was obtained independently by Mokhtari and Ribeiro (JMLR 16, 2015). Bottou, Curtis and Nocedal later gave a general treatment of such preconditioned stochastic methods (SIAM Review 60(2), 2018).
Setting
Let be twice continuously differentiable losses and
For a sample of size , the minibatch gradient is . For a sample of size , the subsampled Hessian is .
Assumption 1 requires constants with for every and every Hessian sample. It also requires a bound on the second moment of the stochastic gradient. denotes the minimizer of .
Algorithm 2 turns correction pairs into a matrix . With , it starts from and applies the BFGS update
for .
Algorithm 1 (SQN) runs for . It draws a gradient sample and steps
where for and , , afterwards. Every iterations it forms the block average of the last iterates and a new pair
Samples are drawn independently and uniformly among the subsets of their size. The step length is .
Formalization targets
Goal: Corollary 3.3, with a corrected constant
There are , depending only on the problem data, such that every matrix Algorithm 1 applies satisfies . Moreover, for every ,
The constants are not fixed numerically. The goal asserts a rate of order with an explicit constant in terms of them.
Milestones
- (3.8)–(3.10): the curvature bounds and for Hessian-product pairs.
- (3.11) and (3.12): the trace bound and Powell's determinant formula for the direct L-BFGS matrices.
- Lemma 3.1: uniformly along every run.
- (3.18): expected descent for the general Newton-like iteration .
- (3.19): .
- (3.22): the recursion .
- Theorem 3.2: the rate for the Newton-like iteration.
Significance
The corollary says that curvature information costs nothing in rate. With uniformly bounded preconditioners and the schedule, the SQN method converges in expectation at the same order as SGD, which is the order known to be optimal for this class of problems. Lemma 3.1 is the reusable part: it holds for any L-BFGS matrix built from pairs whose curvature is controlled by a bounded Hessian. Theorem 3.2 applies to every stochastic method whose preconditioner is fixed before the sample is drawn and has uniformly bounded spectrum.
The formalization adds three things. First, it states the result correctly. As printed, Theorem 3.2 is false and Assumption 1(3) cannot be satisfied (see Formalization scope), and the mission states and labels the repaired versions. Second, it gives a machine-checked statement of the SQN algorithm itself, which is not currently formalized anywhere. Third, it provides L-BFGS and preconditioned-SGD infrastructure that later missions on stochastic second-order methods can reuse. To our knowledge none of these results has a machine-checked proof.
Difficulty
The natural first idea is to feed the iterates of Algorithm 1 to a standard SGD rate theorem. This fails for two reasons. The preconditioner depends on the past iterates and on independent Hessian samples, so the analysis needs a filtration in which is known before the gradient sample is drawn. Also, the rate proof itself is an induction that breaks in the first iterations, which is exactly where the printed argument goes wrong.
On the linear-algebra side, the difficulty is a lower bound on the smallest eigenvalue of that is uniform over all runs and all . The curvature bounds on each individual pair do not give it directly, because the BFGS updates compound across the memory window. The expectation side needs conditional expectations of vector-valued functions and a descent inequality under a Hessian bound, neither of which Mathlib packages for this setting.
Formalization scope
Vectors live in EuclideanSpace ℝ (Fin n), matrices are Matrix (Fin n) (Fin n) ℝ acting through Matrix.toEuclideanLin, and is (B - A).PosDef. Hessians are fderiv ℝ (gradient f) w. Indices start at as in the paper. In the corollary, is an exact finite average over sample histories, and "almost surely" means "on every history". Theorem 3.2 uses a general probability space with a filtration. and are -measurable, the sample is -measurable, and unbiasedness is a conditional expectation. Integrability of is part of each conclusion, so a junk-zero integral cannot satisfy it.
Two corrections to the paper, each labelled in the item titles and notes:
- Iterate-wise . Assumption 1(3) says for all . Together with unbiasedness and -strong convexity on , this forces for every , which is impossible. The mission imposes the bound at the iterates, conditionally on the past, which is how the proof uses it.
- Constant . The induction after (3.22) multiplies by , which is negative for . Counterexample: , , , , , . Then , and the example survives perturbing the constants so that every strict inequality holds. The middle entry of repairs it, and whenever .
Smaller conventions:
- The pairs must satisfy , since Algorithm 2 is undefined otherwise.
- Hessian samples have size ; the empty sample makes (2.3) a .
- The corollary's undefined is Lemma 3.1's constant, enlarged together with to cover the initial steps.
- The block average of Algorithm 1 is used, not Eq. (2.1).
Trivializing encodings are ruled out: is Algorithm 2 applied to Algorithm 1's own pairs, not an arbitrary bounded matrix, and the second-moment bound is not imposed for all .
Needed infrastructure, all welcome as contributions: the symmetry and spectral bounds of Hessians of functions, trace and determinant identities for BFGS updates, the descent lemma from a Hessian upper bound, conditional-expectation manipulations for adapted iterations, and the reduction of Algorithm 1 with uniform finite sampling to the abstract iteration.
Selected references
- R. H. Byrd, S. L. Hansen, J. Nocedal, Y. Singer, A Stochastic Quasi-Newton Method for Large-Scale Optimization, SIAM J. Optim. 26(2):1008–1031, 2016. https://doi.org/10.1137/140954362
- A. Mokhtari, A. Ribeiro, Global Convergence of Online Limited Memory BFGS, J. Mach. Learn. Res. 16:3151–3181, 2015. https://jmlr.org/papers/v16/mokhtari15a.html
- L. Bottou, F. E. Curtis, J. Nocedal, Optimization Methods for Large-Scale Machine Learning, SIAM Review 60(2):223–311, 2018. https://doi.org/10.1137/16M1080173
- A. Nemirovski, A. Juditsky, G. Lan, A. Shapiro, Robust Stochastic Approximation Approach to Stochastic Programming, SIAM J. Optim. 19(4):1574–1609, 2009. https://doi.org/10.1137/070704277
- M. J. D. Powell, Some global convergence properties of a variable metric algorithm for minimization without exact line searches, in Nonlinear Programming, SIAM-AMS Proc. IX, 1976, pp. 53–72.