Sparse Regression at Scale: Branch-and-Bound rooted in First-Order Optimization 4: Lagrangian Duals of the Reduced Relaxation and Their Closed-Form Optimal Dual VariablesResearch Paper
Motivation
Best subset selection with ridge shrinkage, the -regularized least squares problem
is a mixed integer program. Exact solvers for it rely on branch-and-bound: at every node of the search tree a convex relaxation is solved, and the node is discarded if a lower bound on that relaxation already exceeds the best objective value found so far. Hazimeh, Mazumder and Saab (arXiv:2004.06152v2, Mathematical Programming 2022) build such a solver, L0BnB, for instances with in the millions. Its relaxations are solved only approximately, by first-order methods, and an approximate primal solution does not by itself certify a lower bound. The bound has to come from a dual feasible point. Theorem 2 of the paper supplies the duals of the node relaxation in closed form, together with explicit formulas for the optimal dual variables as functions of the primal optimum. Everything the paper later proves about the quality of its dual bounds (Section 3.2, Theorem 3) starts from these formulas.
Setting
Data are a matrix with columns , a response , and parameters , where bounds the coefficients. Write and . The reverse Huber penalty is for and for . Define
and let if and if . The reduced relaxation (5) is
By Theorem 1 of the paper it is the interval relaxation of the perspective formulation, projected onto .
The two dual objectives of Theorem 2 are, for and ,
where is maximized over all of (problem (20)) and subject to for (problem (22)). For an optimal of (5), with residual , the candidate dual variables are
In the Lean development these objects are F, box, h1, v, h2, Feas22, alphaStar, gammaStar, rhoStar, muStar in the namespace L0BnB.Duality.
Formalization targets
Goal: Theorem 2 (pp. 13–14)
Let minimize over .
- If : for all and all feasible , and .
- If : for all feasible for (22) and all feasible ; is feasible for (22) and .
This is "(20), respectively (22), is a dual of (5), and (23), respectively (24), are optimal dual variables", with the paper's remark that strong duality holds.
Milestones
- (45) For , and , the point (if ) or (otherwise) minimizes on .
- (47) If , then .
- Weak duality, the first halves of both bullets of the goal.
- (23) when .
- (24) feasible for (22) and when .
Significance
The result. Theorem 2 turns the node relaxation of L0BnB into a pair of explicit concave maximization problems, one per regime of versus . The dual (20) is unconstrained, so any gives a valid lower bound; the paper's dual bounds (25)–(28) evaluate or at built from an inexact primal solution , with the remaining variable chosen in closed form. The formulas (23)–(24) explain why this choice is right: at the exact optimum it recovers the primal value. Theorem 3 of the paper, which bounds the loss of this dual bound by a quantity depending on the support size rather than on , compares to term by term and therefore depends on (23).
Formalizing it. The paper proves the case in Appendix A and omits the proof of the case ("follows along the lines similar to what was shown above"). The appendix also contains an intermediate formula for the coordinate minimum, , that is incorrect when is large; the final dual (49) = (20) is nevertheless correct. A machine-checked proof supplies the omitted case and settles the correct statement. To our knowledge neither half has been formalized.
Difficulty
The dual objective (20) hides the box constraint inside the term and the penalty inside , and the reverse Huber penalty is piecewise, so even the weak-duality half has to handle both pieces of and the junction . The attainment half is where the work lies: it needs the optimality conditions of a nonsmooth convex problem over a box, at coordinates where (where is not differentiable), where (where the box is active), and where both may interact with the regime boundary . The natural first idea, to read (23) off the Lagrangian derivation in the paper, does not yield a proof: that derivation assumes a dual optimum exists and relates it to by complementary slackness, whereas the theorem asserts an identity for the explicit built from alone.
Formalization scope
Data are X : Matrix (Fin n) (Fin p) ℝ, y : Fin n → ℝ and reals lam0 lam2 M with 0 < lam0, 0 < lam2, 0 < M as hypotheses; is Fin p. Norms and inner products are explicit sums: , , , , and is for every . The regime split is written versus . sign is Real.sign, with ; where it is evaluated in (23) the argument is nonzero at an optimum. The optimal solution is a hypothesis (feasible and minimizing over the box); its existence is not part of the statements. The coordinate milestones (45) and (47) are stated for a scalar standing for and a multiplier . No normalization of or is assumed: the unit-norm convention that opens Section 3 is not used by Theorem 2. The paper writes no in these results, so no constants are instantiated.
"A dual is given by" is formalized as weak duality over all dual-feasible points together with equality at the explicit dual variables. Weak duality alone would not be Theorem 2, and neither would the equality alone; the goal requires both in both regimes. Uniqueness of the dual optimum is not claimed.
A complete development needs elementary convex analysis of the scalar penalty (its conjugate and subdifferential), first-order optimality conditions for a convex function over a box in , and finite-sum bookkeeping. The scalar facts about the reverse Huber penalty are reusable in the companion missions on the reduced relaxation and on dual-bound quality. Contributions to any milestone, or a direct proof of the goal, are welcome.
Selected references
- H. Hazimeh, R. Mazumder, A. Saab, Sparse Regression at Scale: Branch-and-Bound rooted in First-Order Optimization, arXiv:2004.06152v2 (2021); Mathematical Programming (2022). https://arxiv.org/abs/2004.06152v2
- S. Boyd, L. Vandenberghe, Convex Optimization, Cambridge University Press, 2004. https://web.stanford.edu/~boyd/cvxbook/
- A. B. Owen, A robust hybrid of lasso and ridge regression, Contemporary Mathematics 443, 59–72, 2007. https://doi.org/10.1090/conm/443/08555
- D. Bertsimas, A. King, R. Mazumder, Best subset selection via a modern optimization lens, Annals of Statistics 44(2), 813–852, 2016. https://doi.org/10.1214/15-AOS1388
- H. Hazimeh, R. Mazumder, Fast best subset selection: coordinate descent and local combinatorial optimization algorithms, Operations Research 68(5), 1517–1537, 2020. https://arxiv.org/abs/1803.01454