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Numerical Analysis

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Convex OptimizationOptimization·Captain: mikedeng1

The Rate of Convergence of Nesterov's Accelerated Forward-Backward Method is Actually Faster than 1/k^2 I: For α > 3, (Ψ + Φ)(x_k) − min(Ψ + Φ) = o(k⁻²) and ‖x_{k+1} − x_k‖ = o(k⁻¹)Research Paper

Motivation

Many problems in signal processing, statistics and machine learning take the form

min⁡x∈H Ψ(x)+Φ(x),\min_{x\in\mathcal H}\ \Psi(x)+\Phi(x),x∈Hmin​ Ψ(x)+Φ(x),

where Φ\PhiΦ is smooth and convex (a data-fit term) and Ψ\PsiΨ is convex but possibly nonsmooth or infinite-valued (an ℓ1\ell^1ℓ1 penalty, the indicator function of a constraint set). The forward-backward method alternates a gradient step on Φ\PhiΦ with a proximal step on Ψ\PsiΨ and reduces the objective gap at rate O(k−1)O(k^{-1})O(k−1) after kkk iterations. Combining it with Nesterov's extrapolation scheme gives the accelerated forward-backward method, best known as FISTA, which improves the guaranteed rate to O(k−2)O(k^{-2})O(k−2). FISTA and its variants are standard solvers for sparse recovery and image reconstruction.

Timeline:

  • 1983. Nesterov introduces the extrapolation scheme for smooth convex minimization, with an O(k−2)O(k^{-2})O(k−2) rate for function values (Nesterov 1983).
  • 2009. Beck and Teboulle extend it to the composite problem above (FISTA), with the O(k−2)O(k^{-2})O(k−2) rate (doi:10.1137/080716542).
  • 2014. Su, Boyd and Candès read the scheme as a discretization of the ODE x¨+αtx˙+∇Θ(x)=0\ddot x+\frac{\alpha}{t}\dot x+\nabla\Theta(x)=0x¨+tα​x˙+∇Θ(x)=0 (arXiv:1503.01243).
  • 2014–2015. Chambolle and Dossal (doi:10.1007/s10957-015-0746-4) and, independently, Attouch, Chbani, Peypouquet and Redont (arXiv:1507.04782) prove weak convergence of the iterates for the variant with parameter α>3\alpha>3α>3. Before that, convergence of the iterates had been open for about two decades.
  • 2015. May shows that for α>3\alpha>3α>3 the continuous-time gap is o(t−2)o(t^{-2})o(t−2) (arXiv:1509.05598).
  • 2016. Attouch and Peypouquet prove the discrete analogue: for α>3\alpha>3α>3 the function gap of the algorithm is o(k−2)o(k^{-2})o(k−2) and the velocity is o(k−1)o(k^{-1})o(k−1) (arXiv:1510.08740, SIAM J. Optim. 26(3):1824–1834).

Setting

Let H\mathcal HH be a real Hilbert space with inner product ⟨⋅,⋅⟩\langle\cdot,\cdot\rangle⟨⋅,⋅⟩ and norm ∥⋅∥\|\cdot\|∥⋅∥. Let:

  1. Ψ:H→R∪{+∞}\Psi:\mathcal H\to\mathbb R\cup\{+\infty\}Ψ:H→R∪{+∞} be proper (finite somewhere), lower semicontinuous and convex;
  2. Φ:H→R\Phi:\mathcal H\to\mathbb RΦ:H→R be convex and continuously differentiable, with gradient ∇Φ\nabla\Phi∇Φ Lipschitz continuous with constant LLL;
  3. Θ=Ψ+Φ\Theta=\Psi+\PhiΘ=Ψ+Φ, and assume the set of minimizers S=argmin⁡ΘS=\operatorname{argmin}\ThetaS=argminΘ is nonempty.

For s>0s>0s>0, the proximal map prox⁡sΨ(z)\operatorname{prox}_{s\Psi}(z)proxsΨ​(z) is the unique minimizer of u↦Ψ(u)+12s∥u−z∥2u\mapsto\Psi(u)+\frac1{2s}\|u-z\|^2u↦Ψ(u)+2s1​∥u−z∥2. Given α>0\alpha>0α>0, a step size 0<s<1/L0<s<1/L0<s<1/L and starting points x0,x1x_0,x_1x0​,x1​, algorithm (2) generates

yk=xk+k−1k+α−1(xk−xk−1),xk+1=prox⁡sΨ(yk−s∇Φ(yk)),k≥1.y_k=x_k+\frac{k-1}{k+\alpha-1}(x_k-x_{k-1}),\qquad x_{k+1}=\operatorname{prox}_{s\Psi}\big(y_k-s\nabla\Phi(y_k)\big),\qquad k\ge1.yk​=xk​+k+α−1k−1​(xk​−xk−1​),xk+1​=proxsΨ​(yk​−s∇Φ(yk​)),k≥1.

The common choice is α=3\alpha=3α=3; this mission concerns α>3\alpha>3α>3.

The proofs use the operator Gs(y)=1s(y−prox⁡sΨ(y−s∇Φ(y)))G_s(y)=\frac1s\big(y-\operatorname{prox}_{s\Psi}(y-s\nabla\Phi(y))\big)Gs​(y)=s1​(y−proxsΨ​(y−s∇Φ(y))), the sequence zk=xk+k−1α−1(xk−xk−1)z_k=x_k+\frac{k-1}{\alpha-1}(x_k-x_{k-1})zk​=xk​+α−1k−1​(xk​−xk−1​), a minimizer x∗x^*x∗, and the quantity

E(k)=2sα−1(k+α−2)2(Θ(xk)−Θ(x∗))+(α−1)∥zk−x∗∥2.\mathcal E(k)=\frac{2s}{\alpha-1}(k+\alpha-2)^2\big(\Theta(x_k)-\Theta(x^*)\big)+(\alpha-1)\|z_k-x^*\|^2 .E(k)=α−12s​(k+α−2)2(Θ(xk​)−Θ(x∗))+(α−1)∥zk​−x∗∥2.

Write θk=Θ(xk)−Θ(x∗)\theta_k=\Theta(x_k)-\Theta(x^*)θk​=Θ(xk​)−Θ(x∗) and dk=12s∥xk+1−xk∥2d_k=\frac1{2s}\|x_{k+1}-x_k\|^2dk​=2s1​∥xk+1​−xk​∥2.

Formalization targets

Goal: Theorem 1 (p. 2)

For α>3\alpha>3α>3 and 0<s<1/L0<s<1/L0<s<1/L,

lim⁡k→∞k2(Θ(xk)−min⁡Θ)=0andlim⁡k→∞k ∥xk+1−xk∥=0.\lim_{k\to\infty}k^2\big(\Theta(x_k)-\min\Theta\big)=0\qquad\text{and}\qquad\lim_{k\to\infty}k\,\|x_{k+1}-x_k\|=0.k→∞lim​k2(Θ(xk​)−minΘ)=0andk→∞lim​k∥xk+1​−xk​∥=0.

The statement fixes no constants, so it is unaffected by later improvements of the explicit bounds below.

Milestones (in attack order)

  1. (9), p. 2. If sL≤1sL\le1sL≤1, then for all x,yx,yx,y: Θ(y−sGs(y))≤Θ(x)+⟨Gs(y),y−x⟩−s2∥Gs(y)∥2\Theta(y-sG_s(y))\le\Theta(x)+\langle G_s(y),y-x\rangle-\frac s2\|G_s(y)\|^2Θ(y−sGs​(y))≤Θ(x)+⟨Gs​(y),y−x⟩−2s​∥Gs​(y)∥2.
  2. (13), p. 3. For α≥3\alpha\ge3α≥3 and k≥1k\ge1k≥1: E(k+1)+2sα−3α−1k θk≤E(k)\mathcal E(k+1)+2s\frac{\alpha-3}{\alpha-1}k\,\theta_k\le\mathcal E(k)E(k+1)+2sα−1α−3​kθk​≤E(k).
  3. Fact 1, p. 3. (E(k))(\mathcal E(k))(E(k)) is nonincreasing and has a finite limit.
  4. Fact 2, p. 3. θk≤(α−1)E(1)2s(k+α−2)2\theta_k\le\frac{(\alpha-1)\mathcal E(1)}{2s(k+\alpha-2)^2}θk​≤2s(k+α−2)2(α−1)E(1)​ and ∥zk−x∗∥2≤E(1)α−1\|z_k-x^*\|^2\le\frac{\mathcal E(1)}{\alpha-1}∥zk​−x∗∥2≤α−1E(1)​ for k≥1k\ge1k≥1.
  5. Fact 3, p. 3. For α>3\alpha>3α>3: ∑k≥1k θk≤(α−1)E(1)2s(α−3)\sum_{k\ge1}k\,\theta_k\le\frac{(\alpha-1)\mathcal E(1)}{2s(\alpha-3)}∑k≥1​kθk​≤2s(α−3)(α−1)E(1)​.
  6. (14), p. 4. Θ(xk+1)+dk≤Θ(xk)+(k−1)2(k+α−1)2dk−1\Theta(x_{k+1})+d_k\le\Theta(x_k)+\frac{(k-1)^2}{(k+\alpha-1)^2}d_{k-1}Θ(xk+1​)+dk​≤Θ(xk​)+(k+α−1)2(k−1)2​dk−1​ for k≥1k\ge1k≥1.
  7. Fact 4, p. 4. For α>3\alpha>3α>3: ∑k≥1k dk≤α(3α−5)E(1)4s(α−1)(α−3)\sum_{k\ge1}k\,d_k\le\frac{\alpha(3\alpha-5)\mathcal E(1)}{4s(\alpha-1)(\alpha-3)}∑k≥1​kdk​≤4s(α−1)(α−3)α(3α−5)E(1)​.
  8. Lemma 2, p. 4. For α>3\alpha>3α>3, lim⁡k[k2dk+(k+1)2θk+1]\lim_k\big[k^2d_k+(k+1)^2\theta_{k+1}\big]limk​[k2dk​+(k+1)2θk+1​] exists and is finite.

Significance

The result. The O(k−2)O(k^{-2})O(k−2) rate of FISTA is often quoted as optimal for first-order methods. Theorem 1 shows that for α>3\alpha>3α>3 the worst-case rate along every single run is strictly better, o(k−2)o(k^{-2})o(k−2), and that the steps ∥xk+1−xk∥\|x_{k+1}-x_k\|∥xk+1​−xk​∥ decay faster than 1/k1/k1/k. No better power is possible: by Attouch et al., Example 2.13 there is no p>2p>2p>2 with an O(k−p)O(k^{-p})O(k−p) rate for every Φ\PhiΦ and Ψ\PsiΨ. The intermediate estimates (Facts 2–4) give explicit, quantitative bounds that are reused in the analysis of inexact and perturbed variants (Theorem 4 of the paper) and in mission II of this series, which proves weak convergence of the iterates.

Formalizing it. The result is proved on paper. As far as we know, no machine-checked proof of the O(k−2)O(k^{-2})O(k−2) rate of FISTA in this Hilbert-space, extended-valued setting exists in Mathlib or on this platform, and neither does the o(k−2)o(k^{-2})o(k−2) refinement. A complete development would provide reusable statements about proximal-gradient steps for functions valued in R∪{+∞}\mathbb R\cup\{+\infty\}R∪{+∞}. The page also has a factor slip in Fact 4 and Lemma 2 (see Formalization scope); checking it mechanically is one of the outputs.

Difficulty

The O(k−2)O(k^{-2})O(k−2) bound follows from the monotonicity of E\mathcal EE alone. That argument cannot give o(k−2)o(k^{-2})o(k−2): it controls k2θkk^2\theta_kk2θk​ only by the constant E(1)\mathcal E(1)E(1), and summability of kθkk\theta_kkθk​ (Fact 3) gives a decay of k2θkk^2\theta_kk2θk​ only along a subsequence, not of the whole sequence. The missing ingredient is convergence of a weighted combination of function gaps and velocities, which is Lemma 2. The bookkeeping is delicate: every step carries explicit coefficients in kkk and α\alphaα, and the inequalities must hold in the extended reals because Ψ\PsiΨ may be +∞+\infty+∞ at the starting point.

Formalization scope

  • Space and functions. H\mathcal HH is a real inner product space that is complete. Ψ\PsiΨ takes values in EReal and satisfies the published predicate IsProperClosedConvex (never −∞-\infty−∞, finite somewhere, lower semicontinuous, convex epigraph). Φ:H→R\Phi:\mathcal H\to\mathbb RΦ:H→R is ConvexOn and ContDiff ℝ 1, and gradient Φ is LipschitzWith L for some L : ℝ≥0.
  • Step size. 0<s<1/L0<s<1/L0<s<1/L is written 0 < s and s * L < 1, so that L=0L=0L=0 is allowed (s < 1 / L would be unsatisfiable when L=0L=0L=0). Display (9) uses the page's s≤1/Ls\le1/Ls≤1/L, written s * L ≤ 1.
  • Proximal map. It is a map P with the published predicate IsProx s Ψ P, which determines P=prox⁡sΨP=\operatorname{prox}_{s\Psi}P=proxsΨ​ for proper closed convex Ψ\PsiΨ and s>0s>0s>0.
  • The run. It is required to follow (2) for every k≥1k\ge1k≥1, with x0,x1x_0,x_1x0​,x1​ arbitrary; the coefficient of x0x_0x0​ vanishes at k=1k=1k=1.
  • Extended reals. Θ\ThetaΘ, E\mathcal EE and the function-value statements live in EReal. No value is ever converted to R\mathbb RR with toReal, which would turn +∞+\infty+∞ into 000. "The limit exists" (Fact 1, Lemma 2) means convergence to a real number, because in EReal every monotone sequence converges. Infinite series of nonnegative terms are stated as bounds on every partial sum. min⁡Θ\min\ThetaminΘ in the goal is ⨅ y, Θ y together with the hypothesis that a minimizer exists.
  • Corrected slips. Fact 2 is stated with E(1)\mathcal E(1)E(1) for k≥1k\ge1k≥1; the page writes E(0)\mathcal E(0)E(0) for k≥0k\ge0k≥0, which needs an iterate x−1x_{-1}x−1​. Fact 4 is stated for ∑k dk\sum k\,d_k∑kdk​; the page prints ∑k∥xk+1−xk∥2\sum k\|x_{k+1}-x_k\|^2∑k∥xk+1​−xk​∥2 with the same constant, which is off by the factor 2s2s2s and false in general. Lemma 2 is stated for the bracket k2dk+(k+1)2θk+1k^2d_k+(k+1)^2\theta_{k+1}k2dk​+(k+1)2θk+1​ of its proof (16).
  • Ruled out. The goal assumes nothing about E\mathcal EE, zkz_kzk​, θk\theta_kθk​ or dkd_kdk​. A statement of the first limit for toReal values, or with an extended-real "limit exists", would be trivially weaker and is not what is asked.
  • Welcome contributions. Proofs of any milestone; general facts about proximal maps of EReal-valued convex functions and about the descent property of LLL-smooth convex functions, which are reusable well beyond this mission.

Selected references

  • H. Attouch, J. Peypouquet, The Rate of Convergence of Nesterov's Accelerated Forward-Backward Method is Actually Faster than 1/k21/k^21/k2, SIAM J. Optim. 26(3):1824–1834, 2016. arXiv:1510.08740v4, doi:10.1137/15M1046095
  • H. Attouch, Z. Chbani, J. Peypouquet, P. Redont, Fast convergence of inertial dynamics and algorithms with asymptotic vanishing viscosity, Math. Program. 168:123–175, 2018. arXiv:1507.04782
  • A. Beck, M. Teboulle, A fast iterative shrinkage-thresholding algorithm for linear inverse problems, SIAM J. Imaging Sci. 2(1):183–202, 2009. doi:10.1137/080716542
  • A. Chambolle, C. Dossal, On the convergence of the iterates of the "fast iterative shrinkage/thresholding algorithm", J. Optim. Theory Appl. 166:968–982, 2015. doi:10.1007/s10957-015-0746-4
  • R. May, Asymptotic for a second order evolution equation with convex potential and vanishing damping term, 2015. arXiv:1509.05598
  • Y. Nesterov, A method of solving a convex programming problem with convergence rate O(1/k2)O(1/k^2)O(1/k2), Soviet Math. Dokl. 27:372–376, 1983. mathnet
  • W. Su, S. Boyd, E. J. Candès, A differential equation for modeling Nesterov's accelerated gradient method: theory and insights, J. Mach. Learn. Res. 17(153):1–43, 2016. arXiv:1503.01243
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Operations ResearchOptimization·Captain: mikedeng1

Minimization Methods for Non-Differentiable Functions VIII: Quadratic Convergence of the Gradient Orthogonalization Method for Nonlinear EquationsTextbook

Motivation

Solving a square system of nonlinear equations ψi(x)=0\psi_i(x) = 0ψi​(x)=0, i=1,…,ni = 1, \dots, ni=1,…,n, x∈Rnx \in \mathbb{R}^nx∈Rn, is one of the oldest tasks of numerical analysis. It appears whenever optimality conditions, equilibrium conditions or discretized differential equations have to be solved. N. Z. Shor's Minimization Methods for Non-Differentiable Functions (Springer 1985, translated by K. C. Kiwiel and A. Ruszczyński) treats such a system as the nonsmooth minimization problem

min⁡x∈Enf(x),f(x)=max⁡1≤i≤n∣ψi(x)∣,\min_{x \in E_n} f(x), \qquad f(x) = \max_{1 \le i \le n} |\psi_i(x)|,x∈En​min​f(x),f(x)=1≤i≤nmax​∣ψi​(x)∣,

whose optimal value is 000 exactly when the system is consistent. Section 3.5 of the book applies the subgradient method with space dilation to this problem. At each iteration that method needs the gradient of one of the ψi\psi_iψi​, not all nnn of them. Taking the dilation coefficient to its extreme value (β=0\beta = 0β=0) turns the method into a gradient orthogonalization method. The book shows that this method converges at a quadratic rate near a regular solution, like Newton's method, although it never forms or factorizes the Jacobian.

This mission is the eighth in a series formalizing Shor's book. It covers Sections 3.5–3.6 (printed pp. 62–71).

Setting

EnE_nEn​ is the nnn-dimensional Euclidean space with inner product (x,y)(x, y)(x,y) and norm ∥x∥\|x\|∥x∥. The data are functions ψ1,…,ψn:En→R\psi_1, \dots, \psi_n : E_n \to \mathbb{R}ψ1​,…,ψn​:En​→R with gradients gψi(x)g_{\psi_i}(x)gψi​​(x), and the max-residual function is f(x)=max⁡i∣ψi(x)∣f(x) = \max_i |\psi_i(x)|f(x)=maxi​∣ψi​(x)∣ (3.24). The Jacobian is the matrix J(x)={∂ψi/∂tj}i,j=1nJ(x) = \{\partial\psi_i/\partial t_j\}_{i,j=1}^nJ(x)={∂ψi​/∂tj​}i,j=1n​ of partial derivatives with respect to the coordinates x={t1,…,tn}x = \{t_1, \dots, t_n\}x={t1​,…,tn​}.

An almost-gradient of a function fff at x0x_0x0​ is an accumulation point of a sequence of gradients ∇f(xk)\nabla f(x_k)∇f(xk​), where xk→x0x_k \to x_0xk​→x0​ and fff is differentiable at every xkx_kxk​ (p. 18).

The regular case (p. 63) is the situation in which f∗=min⁡f=0f^* = \min f = 0f∗=minf=0 is attained at a point x∗x^*x∗, the ψi\psi_iψi​ are continuously differentiable near x∗x^*x∗, and J(x∗)J(x^*)J(x∗) is nonsingular.

The gradient orthogonalization method (3.27) runs in stages of nnn steps. A stage starting at x0x_0x0​ produces x1,…,xnx_1, \dots, x_nx1​,…,xn​ as follows. At step k+1k+1k+1, 0≤k<n0 \le k < n0≤k<n, the gradient gψk+1(xk)g_{\psi_{k+1}}(x_k)gψk+1​​(xk​) is projected on the subspace orthogonal to the gradients gψ1(x0),…,gψk(xk−1)g_{\psi_1}(x_0), \dots, g_{\psi_k}(x_{k-1})gψ1​​(x0​),…,gψk​​(xk−1​) used earlier in the stage. Call the result φk+1\varphi_{k+1}φk+1​. The step is

xk+1=xk−ψk+1(xk)∥φk+1∥2 φk+1.x_{k+1} = x_k - \frac{\psi_{k+1}(x_k)}{\|\varphi_{k+1}\|^2}\, \varphi_{k+1}.xk+1​=xk​−∥φk+1​∥2ψk+1​(xk​)​φk+1​.

For k=0k = 0k=0 there is nothing to project, so φ1=gψ1(x0)\varphi_1 = g_{\psi_1}(x_0)φ1​=gψ1​​(x0​). The next stage starts at xnx_nxn​.

Formalization targets

Goal: Theorem 3.9, one stage squares the error

Let x∗=0x^* = 0x∗=0 solve the system, let the ψi\psi_iψi​ be continuously differentiable with gradients Lipschitz with constant LLL on a ball Sδ={x:∥x∥<δ}S_\delta = \{x : \|x\| < \delta\}Sδ​={x:∥x∥<δ} (3.28), and let gψ1(0),…,gψn(0)g_{\psi_1}(0), \dots, g_{\psi_n}(0)gψ1​​(0),…,gψn​​(0) be linearly independent. Then there exist ε>0\varepsilon > 0ε>0 and c>0c > 0c>0 such that every stage with ∥x0∥≤ε\|x_0\| \le \varepsilon∥x0​∥≤ε satisfies

∥xn∥≤c ∥x0∥2.\|x_n\| \le c\, \|x_0\|^2 .∥xn​∥≤c∥x0​∥2.

Milestones inside the proof

The proof of Theorem 3.9 passes through these displayed results, stated here in attack order:

  • Eq. (3.29): near the solution, the orthogonalized gradients satisfy ∥φk+1∥>b>0\|\varphi_{k+1}\| > b > 0∥φk+1​∥>b>0, with bbb uniform over stages.
  • Eq. (3.33): after step k+1k+1k+1, ∣ψk+1(xk+1)∣≤(L/b2) ψk+12(xk)|\psi_{k+1}(x_{k+1})| \le (L/b^2)\, \psi_{k+1}^2(x_k)∣ψk+1​(xk+1​)∣≤(L/b2)ψk+12​(xk​).
  • Lemma 3.1: a step of length hhh in a unit direction orthogonal to gψi(x1)g_{\psi_i}(x_1)gψi​​(x1​) changes ψi\psi_iψi​ by at most Lh(h+∥x1−x2∥)L h (h + \|x_1 - x_2\|)Lh(h+∥x1​−x2​∥).
  • Eqs. (3.36)–(3.37): within a stage, max⁡k∥xk∥≤c1∥x0∥\max_k \|x_k\| \le c_1 \|x_0\|maxk​∥xk​∥≤c1​∥x0​∥, and at the end point f(xn)≥c2∥xn∥f(x_n) \ge c_2 \|x_n\|f(xn​)≥c2​∥xn​∥.

Companion result: Theorem 3.8

In the regular case, for every δ>0\delta > 0δ>0 there is a neighborhood of x∗x^*x∗ in which every almost-gradient satisfies

(1−δ)f(x)≤(gf(x),x−x∗)≤(1+δ)f(x).(1-\delta) f(x) \le (g_f(x), x - x^*) \le (1+\delta) f(x).(1−δ)f(x)≤(gf​(x),x−x∗)≤(1+δ)f(x).

Significance

Theorem 3.9 says that a method which evaluates one equation and one gradient per step, and never solves a linear system, has the local quadratic rate of Newton's method on a regular system. The stages combine: once one stage starts close enough to the solution, the errors of later stages satisfy ∥x0(r+1)∥≤c∥x0(r)∥2\|x_0^{(r+1)}\| \le c\|x_0^{(r)}\|^2∥x0(r+1)​∥≤c∥x0(r)​∥2. Theorem 3.8 describes the geometry of fff near a regular solution. The ratio of (gf(x),x−x∗)(g_f(x), x - x^*)(gf​(x),x−x∗) to f(x)f(x)f(x) tends to 111, which is what allows the dilation parameters of the book's Theorem 3.3 to approach their extreme values near the solution. Both results connect the nonsmooth space-dilation methods of Chapter 3 to classical Newton-type theory.

All results of this mission are proved in the book. None of them has, to our knowledge, a machine-checked proof: the platform has local quadratic convergence results for cubic-regularized Newton, proximal Newton and semismooth Newton, but not for this method. The work is formalizing Shor's proof. This includes building the Gram-determinant argument behind (3.29) and the second-order estimates, which are reusable for other projection-based solvers of Kaczmarz type.

Difficulty

A naive argument analyses each step as a Newton step for one equation and stops there. That shows each equation ψk+1\psi_{k+1}ψk+1​ is small right after its own step, but the theorem needs all equations to be small at the end of the stage. Later steps move the point and can undo the progress on earlier equations. The step directions are orthogonal to the earlier gradients, but those gradients were taken at earlier points, not at the current one. Controlling this drift needs Lemma 3.1 together with the bound (3.36), which says that the whole stage stays within a multiple of ∥x0∥\|x_0\|∥x0​∥.

A second difficulty is that the method is only defined near the solution. The step divides by ∥φk+1∥2\|\varphi_{k+1}\|^2∥φk+1​∥2, and a uniform positive lower bound on these norms comes from the nonvanishing of a Gram determinant evaluated at nnn different points. The final passage from small residuals to a small error needs the growth bound (3.37), which uses the nonsingularity of the Jacobian once more.

Formalization scope

  • Representation. EnE_nEn​ is EuclideanSpace ℝ (Fin n). The equations are a family ψ : Fin n → E_n → ℝ indexed from 000, so ψ k is the book's ψk+1\psi_{k+1}ψk+1​. Gradients are Mathlib's gradient, and SδS_\deltaSδ​ is the open ball Metric.ball 0 δ. Continuous differentiability is ContDiff ℝ 1; in Theorem 3.8 it is ContDiffOn ℝ 1 on a neighborhood of x∗x^*x∗.
  • The stage. A stage is a predicate IsOrthStage ψ x on a sequence x:N→Enx : \mathbb{N} \to E_nx:N→En​, which fixes x1,…,xnx_1, \dots, x_nx1​,…,xn​ from x0x_0x0​. The projection is starProjection onto the orthogonal complement of the span of the earlier gradients.
  • Corrected misprint. The printed Step 1, (3.27a), divides by ∥gψ1(x0)∥\|g_{\psi_1}(x_0)\|∥gψ1​​(x0​)∥ rather than its square. The formalization uses the square, which is what (3.27b) and the proof's (3.31)–(3.33) require at k=0k = 0k=0.
  • Division by zero. The book gives no rule for φk+1=0\varphi_{k+1} = 0φk+1​=0; Lean's t/0=0t/0 = 0t/0=0 would leave the point unchanged. All statements apply the method only near the solution, where (3.29) bounds ∥φk+1∥\|\varphi_{k+1}\|∥φk+1​∥ away from zero.
  • Quantifier order. In Theorem 3.9 and in (3.29), (3.36)–(3.37), the constants (ε\varepsilonε, ccc, δ′\delta'δ′, bbb, ε0\varepsilon_0ε0​, c1c_1c1​, c2c_2c2​) are existentials placed before the stage. They depend only on the data ψ,δ,L\psi, \delta, Lψ,δ,L. A statement with ccc chosen after x0x_0x0​ would be trivial, with c=∥xn∥/∥x0∥2c = \|x_n\|/\|x_0\|^2c=∥xn​∥/∥x0​∥2, and is ruled out.
  • Nonsingularity. In Theorem 3.9 it is the linear independence of gψi(0)g_{\psi_i}(0)gψi​​(0), the book's primary hypothesis. In Theorem 3.8 it is det⁡J(x∗)≠0\det J(x^*) \ne 0detJ(x∗)=0, with JJJ defined by coordinate partial derivatives.
  • Almost-gradients. They are quantified universally: Theorem 3.8 holds for every almost-gradient, not for one chosen one.

Not formalized: Theorem 3.10 (pp. 70–71), the nnn-step quadratic convergence of the β=0\beta = 0β=0 r-algorithm with resetting. Its directional minimization rule is not pinned down on the page. The algorithm says "determined by minimizing", while the proof uses "the smallest positive root" of a stationarity equation. A contribution that fixes this rule and states the theorem is welcome as a follow-up.

Contributions of any of the five milestones are welcome independently. The Gram-determinant lower bound (3.29) and Lemma 3.1 are general facts about orthogonalization and Lipschitz gradients, and are useful beyond this mission.

Selected references

  • N. Z. Shor, Minimization Methods for Non-Differentiable Functions, Springer Series in Computational Mathematics 3, Springer, 1985, §§3.5–3.6, pp. 62–71. https://doi.org/10.1007/978-3-642-82118-9
  • J. M. Ortega and W. C. Rheinboldt, Iterative Solution of Nonlinear Equations in Several Variables, Academic Press, 1970. https://doi.org/10.1137/1.9780898719468
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Convex OptimizationOperations ResearchOptimization·Captain: mikedeng1

Minimization Methods for Non-Differentiable Functions X: The Space-Dilation Ellipsoid Method Localizes the Solution in Ellipsoids Shrinking by the Ratio q_nTextbook

Motivation

The ellipsoid method is the algorithm that settled the polynomial-time solvability of linear programming (Khachiyan, 1979) and that underlies the equivalence of separation and optimization in combinatorial optimization (Grötschel, Lovász and Schrijver, 1981). Its origin is in nonsmooth convex optimization. In 1976 Yudin and Nemirovskii proposed a modified method of centered sections that localizes an optimum inside a sequence of ellipsoids, and in 1977 N. Z. Shor observed independently that the same scheme is a subgradient method with space dilation along the gradient, the family of methods he had developed since 1969. Section 3.8 of Shor's monograph Minimization Methods for Non-Differentiable Functions (Springer 1985) presents the method in this second form and proves its basic localization property.

Timeline:

  • 1965. A. Yu. Levin proposes the method of centered sections (cuts through the center of gravity of a polyhedron); each cut removes at least a fixed fraction of the volume, but computing centers of gravity is impractical for n>3n > 3n>3.
  • 1969–1972. Shor introduces subgradient methods with space dilation along the gradient (SDG methods).
  • 1976. Yudin and Nemirovskii replace the polyhedron by a minimal ellipsoid containing a half-ellipsoid, obtaining a geometric volume decrease depending only on the dimension ([Yudin–Nemirovskii 1976]).
  • 1977. Shor shows that the same method is an SDG algorithm with coefficient β=(n−1)/(n+1)\beta = \sqrt{(n-1)/(n+1)}β=(n−1)/(n+1)​ ([Shor 1977]).
  • 1979. Khachiyan applies the method to linear inequalities with integer data, obtaining the first polynomial-time algorithm for linear programming ([Khachiyan 1979]).

Setting

Let EnE_nEn​ be nnn-dimensional Euclidean space with inner product (x,y)(x, y)(x,y), and n>1n > 1n>1. For a unit vector ξ\xiξ and a number α\alphaα, the operator of space dilation along ξ\xiξ with coefficient α\alphaα is Rα(ξ)=I+(α−1)ξξTR_\alpha(\xi) = I + (\alpha - 1)\xi\xi^TRα​(ξ)=I+(α−1)ξξT: it multiplies the component of a vector along ξ\xiξ by α\alphaα and leaves the orthogonal component unchanged.

Let g:En→Eng : E_n \to E_ng:En​→En​ be a vector field, not necessarily continuous. The problem is to find a point x∗x^*x∗ with

(g(x),x−x∗)≥0for all x∈En,(g(x), x - x^*) \ge 0 \quad \text{for all } x \in E_n,(g(x),x−x∗)≥0for all x∈En​,

where it is known that such an x∗x^*x∗ exists in the closed ball S(x0,R)S(x_0, R)S(x0​,R) of radius R>0R > 0R>0 about a given point x0x_0x0​. Put β=(n−1)/(n+1)\beta = \sqrt{(n-1)/(n+1)}β=(n−1)/(n+1)​ and r=n/n2−1r = n/\sqrt{n^2-1}r=n/n2−1​. The algorithm (3.57)–(3.60) starts from x0x_0x0​, B0=InB_0 = I_nB0​=In​, h0=R/(n+1)h_0 = R/(n+1)h0​=R/(n+1), and at iteration k+1k+1k+1 stops if g(xk)=0g(x_k) = 0g(xk​)=0, and otherwise sets

ξk=BkTg(xk)∥BkTg(xk)∥,xk+1=xk−hkBkξk,Bk+1=BkRβ(ξk),hk+1=rhk.\xi_k = \frac{B_k^T g(x_k)}{\|B_k^T g(x_k)\|}, \quad x_{k+1} = x_k - h_k B_k \xi_k, \quad B_{k+1} = B_k R_\beta(\xi_k), \quad h_{k+1} = r h_k .ξk​=∥BkT​g(xk​)∥BkT​g(xk​)​,xk+1​=xk​−hk​Bk​ξk​,Bk+1​=Bk​Rβ​(ξk​),hk+1​=rhk​.

With Ak=Bk−1A_k = B_k^{-1}Ak​=Bk−1​, the localizing ellipsoid is Φk={x:∥Ak(x−xk)∥≤(n+1)hk}\Phi_k = \{x : \|A_k(x - x_k)\| \le (n+1)h_k\}Φk​={x:∥Ak​(x−xk​)∥≤(n+1)hk​}, and the dimension-dependent ratio is

qn=n−1n+1(nn2−1)n<1.q_n = \sqrt{\frac{n-1}{n+1}}\left(\frac{n}{\sqrt{n^2-1}}\right)^n < 1 .qn​=n+1n−1​​(n2−1​n​)n<1.

Three problems produce such a field: minimizing a convex fff on a ball (the field (3.62), a subgradient inside the ball and the outward radial direction outside); the convex program min⁡f0\min f_0minf0​ s.t. fi≤0f_i \le 0fi​≤0 (the field (3.65), a subgradient of the objective at feasible points and of a most violated constraint otherwise); and a convex–concave saddle point problem (the field {gfx,−gfy}\{g_f^x, -g_f^y\}{gfx​,−gfy​}).

Formalization targets

Goal: Theorem 3.14 (p. 86)

For every kkk,

∥Ak(xk−x∗)∥≤hk(n+1),(3.61)\|A_k(x_k - x^*)\| \le h_k (n+1), \tag{3.61}∥Ak​(xk​−x∗)∥≤hk​(n+1),(3.61)

that is, x∗∈Φkx^* \in \Phi_kx∗∈Φk​. The statement holds for every field ggg satisfying the monotonicity condition at x∗x^*x∗; nothing about continuity or convexity is assumed.

Milestones

  1. Eq. (3.4): ∥Rα(ξ)x∥=∥x∥2+(α2−1)(x,ξ)2\|R_\alpha(\xi)x\| = \sqrt{\|x\|^2 + (\alpha^2-1)(x,\xi)^2}∥Rα​(ξ)x∥=∥x∥2+(α2−1)(x,ξ)2​ for unit ξ\xiξ.
  2. Volume of Φk\Phi_kΦk​ (p. 87): (n+1)hk=Rrk(n+1)h_k = R r^k(n+1)hk​=Rrk and v(Φk)=v0Rnrnk/det⁡Akv(\Phi_k) = v_0 R^n r^{nk}/\det A_kv(Φk​)=v0​Rnrnk/detAk​, v0v_0v0​ the volume of the unit ball.
  3. Volume ratio (p. 87–88): v(Φk+1)=qn v(Φk)v(\Phi_{k+1}) = q_n\, v(\Phi_k)v(Φk+1​)=qn​v(Φk​) with qn<1q_n < 1qn​<1, the volumes being positive and finite.
  4. Eq. (3.62): the ball field satisfies (g(x),x−x∗)≥0(g(x), x - x^*) \ge 0(g(x),x−x∗)≥0.
  5. Eq. (3.65): the convex-programming field satisfies (g(x),x−x∗)≥0(g(x), x - x^*) \ge 0(g(x),x−x∗)≥0.
  6. Saddle point field (p. 90): (g(z),z−z∗)≥0(g(z), z - z^*) \ge 0(g(z),z−z∗)≥0.

Significance

The result. Theorem 3.14 with the volume identity says that after kkk steps the solution is confined to an ellipsoid of volume qnkq_n^kqnk​ times that of the initial ball, for any field of the above kind. Milestones 4–6 turn this into localization guarantees for constrained convex minimization, general convex programming and convex–concave saddle points, with a rate that depends only on the dimension. The same localization underlies the complexity bounds of the ellipsoid method for linear programming and the polynomial equivalence of separation and optimization.

Formalizing it. The results are classical and proved in the book. No machine-checked proof of the space-dilation form of the method is known to exist. The platform already contains a proved version of the Bertsimas–Tsitsiklis form (LinearOptimization.ellipsoid_update_halfspace_subset, LinearOptimization.ellipsoid_update_volume_lt: a half-ellipsoid E(z,D)∩{aTx≥aTz}E(z, D) \cap \{a^Tx \ge a^Tz\}E(z,D)∩{aTx≥aTz} is covered by an updated ellipsoid whose volume is smaller by a factor below e−1/(2(n+1))e^{-1/(2(n+1))}e−1/(2(n+1))), and Khachiyan's feasibility algorithm (SmaleNinth.khachiyan_ellipsoid_decides). Those statements are about a center/shape-matrix update and give a volume inequality; this mission is about the iterates of Shor's matrix recursion Bk+1=BkRβ(ξk)B_{k+1} = B_k R_\beta(\xi_k)Bk+1​=Bk​Rβ​(ξk​) and the exact ratio qnq_nqn​. Relating the two parametrizations (Dk=(n+1)2hk2BkBkTD_k = (n+1)^2 h_k^2 B_k B_k^TDk​=(n+1)2hk2​Bk​BkT​) is a welcome side result.

Difficulty

The obvious approach, tracking the ellipsoid through the center and shape matrix and invoking a minimum-volume covering argument, is not what the algorithm computes: here the iterate is updated through the factor BkB_kBk​ and the stepsize hkh_khk​ is fixed in advance, independent of the field, so the induction must be carried out in the transformed coordinates zk=Ak(xk−x∗)z_k = A_k(x_k - x^*)zk​=Ak​(xk​−x∗) in which the ellipsoid is a ball. The difficulty is that the monotonicity condition gives only the sign of one inner product, (zk,ξk)≥0(z_k, \xi_k) \ge 0(zk​,ξk​)≥0, while the norm of zk+1z_{k+1}zk+1​ depends on both (zk,ξk)(z_k,\xi_k)(zk​,ξk​) and ∥zk∥\|z_k\|∥zk​∥; the constants β\betaβ and rrr are exactly those for which the resulting quadratic estimate closes. For the volume identity, the main technical step is computing det⁡Rβ(ξ)=β\det R_\beta(\xi) = \betadetRβ​(ξ)=β and the Lebesgue measure of a linear image of a ball in EuclideanSpace.

Formalization scope

  • EnE_nEn​ is EuclideanSpace ℝ (Fin n); matrices act through Matrix.toEuclideanLin; Bk∗B_k^*Bk∗​ is the transpose. Rα(ξ)R_\alpha(\xi)Rα​(ξ) is the matrix I+(α−1)ξξTI + (\alpha-1)\xi\xi^TI+(α−1)ξξT (the book's property 10); for unit ξ\xiξ this is the operator of the book's definition.
  • The algorithm is the definition ellipsoidMethod g R x₀ : ℕ → EllState n, with state (xk,Bk,hk)(x_k, B_k, h_k)(xk​,Bk​,hk​), B0=IB_0 = IB0​=I, h0=R/(n+1)h_0 = R/(n+1)h0​=R/(n+1). If g(xk)=0g(x_k) = 0g(xk​)=0 the state is repeated from then on (the book stops); the normalization in (3.57) is only performed when g(xk)≠0g(x_k) \ne 0g(xk​)=0. AkA_kAk​ is the matrix inverse of BkB_kBk​, which is nonsingular.
  • Theorem 3.14 is stated for n>1n > 1n>1, R>0R > 0R>0, x∗x^*x∗ with ∥x0−x∗∥≤R\|x_0 - x^*\| \le R∥x0​−x∗∥≤R and (g(x),x−x∗)≥0(g(x), x - x^*) \ge 0(g(x),x−x∗)≥0 for all xxx, for every kkk. The book's additional assumption that g(x)≠0g(x) \ne 0g(x)=0 for x≠x∗x \ne x^*x=x∗ is not used by its proof and is omitted. The iterates are those of the recursion; a statement about an arbitrary ellipsoid containing x∗x^*x∗, or about an arbitrary invertible matrix in place of BkB_kBk​, would not be this theorem and is ruled out by the definitions.
  • Volumes are Lebesgue measure in ℝ≥0∞. The ellipsoid is given for an arbitrary center (the book writes x∗x^*x∗ in one place and xkx_kxk​ in another; the volume is the same). The volume formula requires the first kkk iterations to have been performed (g(xj)≠0g(x_j) \ne 0g(xj​)=0, j<kj < kj<k); the ratio requires iteration k+1k+1k+1 to be performed.
  • The printed chain on p. 87 has misprints (exponents 222 and 111 on n/n2−1n/\sqrt{n^2-1}n/n2−1​ where nnn is meant, and (n−1)/(n+1)(n-1)/(n+1)(n−1)/(n+1) for (n−1)/(n+1)\sqrt{(n-1)/(n+1)}(n−1)/(n+1)​); the statement follows the value of qnq_nqn​ given on p. 88. The estimate for x∉S(x0,R)x \notin S(x_0,R)x∈/S(x0​,R) before (3.62) has a sign misprint; only the conclusion is stated.
  • Needed infrastructure: determinant of a rank-one perturbation of the identity (det⁡(I+c ξξT)=1+c∥ξ∥2\det(I + c\,\xi\xi^T) = 1 + c\|\xi\|^2det(I+cξξT)=1+c∥ξ∥2, available in Mathlib as the matrix determinant lemma), the measure of a linear image (MeasureTheory.Measure.addHaar_image_linearMap), and elementary real inequalities for qn<1q_n < 1qn​<1. The space-dilation lemmas are reusable in the other Shor missions on SDG methods and the rrr-algorithm.

Selected references

  • N. Z. Shor, Minimization Methods for Non-Differentiable Functions, Springer Series in Computational Mathematics 3, Springer, 1985, §3.8. https://doi.org/10.1007/978-3-642-82118-9
  • D. B. Yudin and A. S. Nemirovskii, Informational complexity and efficient methods for the solution of convex extremal problems, Ekonomika i Matematicheskie Metody 12 (1976), 357–369 (English translation: Matekon 13 (1977), 25–45).
  • N. Z. Shor, Cut-off method with space extension in convex programming problems, Cybernetics 13 (1977), 94–96.
  • L. G. Khachiyan, A polynomial algorithm in linear programming, Soviet Mathematics Doklady 20 (1979), 191–194.
  • R. G. Bland, D. Goldfarb and M. J. Todd, The ellipsoid method: a survey, Operations Research 29 (1981), 1039–1091. https://doi.org/10.1287/opre.29.6.1039
  • M. Grötschel, L. Lovász and A. Schrijver, Geometric Algorithms and Combinatorial Optimization, Springer, 1988. https://doi.org/10.1007/978-3-642-97881-4
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Linear OptimizationTheoretical Computer Science·Captain: Lucas

Extended Smale's 9th Problem I: no algorithm computes K digits of LP minimisersResearch Paper

Motivation

Linear programming is usually described as "solvable in polynomial time", but that statement is about rational inputs given exactly. In Smale's list of problems for the 21st century (Smale 1998), Problem 9 asks for a polynomial-time algorithm over the reals deciding the feasibility of Ax≥yAx \ge yAx≥y, and Smale explicitly calls for "models which process approximate inputs and which permit round-off computations". Real data such as 2\sqrt 22​, entries of a discrete cosine transform, or even 1/31/31/3 in floating point can only be accessed approximately.

Bastounis, Hansen and Vlačić pose the extended Smale's 9th problem: in a model where the algorithm can only query approximations of the input to any requested accuracy, can one compute minimisers of linear programming, basis pursuit and Lasso to KKK correct digits? Their Main Theorem I (Theorem 3.4) shows that the answer depends on KKK in a sharp way: for a suitable class of well-conditioned, bounded inputs, no algorithm at all (not only no efficient one) produces KKK correct digits, while K−1K-1K−1 digits are computable (but not in bounded time) and K−2K-2K−2 digits are computable in polynomial time.

This mission targets the first, impossibility, half of Theorem 3.4(i) for linear programming.

Setting

Linear program. For A∈Rm×NA \in \mathbb R^{m\times N}A∈Rm×N, y∈Rmy\in\mathbb R^my∈Rm and c=1N=(1,…,1)c = \mathbf 1_N=(1,\dots,1)c=1N​=(1,…,1), the solution set is

Ξ(y,A)=argmin⁡x∈RN ⟨x,c⟩subject toAx=y, x≥0.\Xi(y,A) = \operatorname*{argmin}_{x\in\mathbb R^N}\ \langle x, c\rangle \quad\text{subject to}\quad Ax = y,\ x\ge 0 .Ξ(y,A)=x∈RNargmin​ ⟨x,c⟩subject toAx=y, x≥0.

It is a subset of MN=RNM_N = \mathbb R^NMN​=RN with the ℓp\ell^pℓp norm, p∈[1,∞]p\in[1,\infty]p∈[1,∞]. An input is a pair ι=(y,A)\iota = (y,A)ι=(y,A), and the evaluations of ι\iotaι are its coordinates yiy_iyi​ and entries AijA_{ij}Aij​.

Extended model (Δ1\Delta_1Δ1​-information). Let Dn={k2−n:k∈Z}D_n = \{k2^{-n} : k\in\mathbb Z\}Dn​={k2−n:k∈Z}. An oracle representation of ι\iotaι is a family ι~=(ι~j,n)\tilde\iota = (\tilde\iota_{j,n})ι~=(ι~j,n​), indexed by evaluations jjj and accuracies n=1,2,…n = 1,2,\dotsn=1,2,…, with ι~j,n∈Dn+iDn\tilde\iota_{j,n}\in D_n + iD_nι~j,n​∈Dn​+iDn​ and ∣ι~j,n−fj(ι)∣≤2−n|\tilde\iota_{j,n} - f_j(\iota)|\le 2^{-n}∣ι~j,n​−fj​(ι)∣≤2−n. An algorithm must succeed on every oracle representation of every input.

General algorithm. To make impossibility results independent of the machine model, the paper uses general algorithms (Definition 9.3): a map Γ\GammaΓ from inputs to M∪{NH}M\cup\{\mathrm{NH}\}M∪{NH} (NH\mathrm{NH}NH = no output) together with a nonempty set ΛΓ(ι)\Lambda_\Gamma(\iota)ΛΓ​(ι) of evaluations read on ι\iotaι. This set is finite whenever Γ\GammaΓ halts. The output is determined by the values read, and any input that agrees on those values reads the same set. Turing machines and BSS machines with an oracle are special cases; general algorithms can even solve the halting problem.

Error and breakdown epsilon. The error is dist⁡(Γ(ι),Ξ(ι))=inf⁡ξ∈Ξ(ι)d(Γ(ι),ξ)\operatorname{dist}(\Gamma(\iota),\Xi(\iota)) = \inf_{\xi\in\Xi(\iota)} d(\Gamma(\iota),\xi)dist(Γ(ι),Ξ(ι))=infξ∈Ξ(ι)​d(Γ(ι),ξ), with distance ∞\infty∞ from NH\mathrm{NH}NH. The strong breakdown epsilon εBs\varepsilon_B^sεBs​ is the supremum of all ε≥0\varepsilon\ge 0ε≥0 such that every general algorithm has error >ε>\varepsilon>ε on some input (Definition 9.17).

Formalization targets

Goal: Theorem 3.4(i), deterministic part, for LP

For every integer K≥1K\ge1K≥1, all dimensions 4≤m<N4\le m<N4≤m<N and every p∈[1,∞]p\in[1,\infty]p∈[1,∞] there is a nonempty class Ωm,N\Omega_{m,N}Ωm,N​ of inputs (y,A)(y,A)(y,A) with nonempty solution sets, ∥y∥∞≤2\|y\|_\infty\le 2∥y∥∞​≤2 and ∥A∥max⁡=1\|A\|_{\max}=1∥A∥max​=1, such that

¬ ∃ Γ general algorithm on oracle representations:∀ ι~,  dist⁡ℓp(Γ(ι~), Ξ(ι))≤10−K.\neg\,\exists\,\Gamma\ \text{general algorithm on oracle representations}:\quad \forall\,\tilde\iota,\ \ \operatorname{dist}_{\ell^p}\big(\Gamma(\tilde\iota),\,\Xi(\iota)\big)\le 10^{-K}.¬∃Γ general algorithm on oracle representations:∀ι~,  distℓp​(Γ(ι~),Ξ(ι))≤10−K.

Milestones

  1. Lemma 11.1: the explicit solution sets of the LP inputs (y1e1,A(α,β,m,N))(y_1e_1, A(\alpha,\beta,m,N))(y1​e1​,A(α,β,m,N)).
  2. Proposition 10.5 (ii), deterministic part: two input sequences that converge in evaluation to a common input and whose solutions stay κ\kappaκ apart force εBs≥κ/2\varepsilon_B^s\ge\kappa/2εBs​≥κ/2 for a suitable choice of Δ1\Delta_1Δ1​-information.
  3. §9.6, (i) ⇒ (ii): a lower bound on εBs\varepsilon_B^sεBs​ for one specific Δ1\Delta_1Δ1​-information transfers to the problem with all oracle representations.
  4. Proposition 9.32 (i) (deterministic consequence via Proposition 10.1): εBs>10−K\varepsilon_B^s>10^{-K}εBs​>10−K for LP on a suitable Ωm,N\Omega_{m,N}Ωm,N​.

Significance

The theorem shows that for LP with inexact input, being non-computable in Turing's sense does not rule out a finer complexity theory. The paper builds a "KKK / K−1K-1K−1 / K−2K-2K−2 digits" classification on this. It also explains why established solvers can return wrong answers with a success flag on small, well-conditioned LPs (§4 of the paper), and it bears on computer-assisted proofs that rely on inexact LP, such as the Flyspeck proof of the Kepler conjecture.

The result is proved on paper. As far as the proposer knows, it has not been machine-checked. This mission formalizes the deterministic impossibility part for LP and puts in place reusable infrastructure: general algorithms, breakdown epsilons and Δ1\Delta_1Δ1​-information. That infrastructure is the base for later missions on the randomised parts of Theorem 3.4(i)–(ii), the weak breakdown epsilon (iii), the exit-flag theorem (Theorem 5.1), and basis pursuit and Lasso.

Difficulty

The obvious objection is that LP is in P for rational inputs, so some rounding scheme ought to work. It fails because an algorithm must halt after reading finitely many approximations. Two inputs that agree to that accuracy but have minimisers far apart then receive the same output. Setting this up needs a notion of algorithm strong enough to cover every computational model, a precise Δ1\Delta_1Δ1​-information model in which the adversary controls the approximations, and explicit LP geometry in which an arbitrarily small perturbation of AAA moves the minimiser by a fixed amount.

Formalization scope

  • Inputs are (y,A)∈(Fin m→R)×Matrix(Fin m)(Fin N) R(y,A)\in(\mathrm{Fin}\,m\to\mathbb R)\times\mathrm{Matrix}(\mathrm{Fin}\,m)(\mathrm{Fin}\,N)\,\mathbb R(y,A)∈(Finm→R)×Matrix(Finm)(FinN)R. Evaluations are complex-valued, as in Definition 9.2. Outputs lie in PiLp p (Fin N → ℝ).
  • A general algorithm is a structure with an output run : Ω → Option M (none = NH) and a read set queried, satisfying the axioms (i)–(iii) of Definition 9.3.
  • Errors take values in [0,∞][0,\infty][0,∞] (ℝ≥0∞), and the error of NH is ∞\infty∞. The infimum over an empty solution set is ∞\infty∞. The goal also requires nonempty solution sets, so no junk value enters.
  • Oracle accuracies are indexed by n∈{1,2,… }n\in\{1,2,\dots\}n∈{1,2,…} (ℕ+). An oracle input is stored as a pair (input, oracle family), and algorithms can read only the oracle family.
  • Out of scope: randomised algorithms, the positive statements (iii)–(iv), runtime, and the condition-number bounds Cond(AA∗)≤3.2\mathrm{Cond}(AA^*)\le3.2Cond(AA∗)≤3.2, CFP≤4C_{FP}\le4CFP​≤4, Cond(Ξ)≤179\mathrm{Cond}(\Xi)\le179Cond(Ξ)≤179.

Selected references

  • A. Bastounis, A. C. Hansen, V. Vlačić, The extended Smale's 9th problem — On computational barriers and paradoxes in estimation, regularisation, computer-assisted proofs, and learning, preprint (2021).
  • S. Smale, Mathematical problems for the next century, Math. Intelligencer 20 (1998). https://doi.org/10.1007/BF03025291
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Linear algebraProbabilityRandom Matrix Theory·Captain: mikedeng1

Randomized Algorithms for Estimating the Trace of an Implicit Symmetric Positive Semi-Definite Matrix IV: Sample Bound for Hutchinson's Trace EstimatorResearch Paper

Motivation

Many computations need the trace of a matrix AAA that is never formed explicitly and can only be applied to vectors: the trace of a matrix function such as trace(A−1)\mathrm{trace}(A^{-1})trace(A−1) or log⁡det⁡A=trace(log⁡A)\log\det A = \mathrm{trace}(\log A)logdetA=trace(logA) in statistics and lattice QCD, the Frobenius norm ∥B∥F2=trace(BTB)\|B\|_F^2 = \mathrm{trace}(B^TB)∥B∥F2​=trace(BTB) of an operator, or the number of triangles of a graph. The standard tool is Monte-Carlo estimation, introduced by M. F. Hutchinson (Hutchinson 1989): average MMM quadratic forms ziTAziz_i^TAz_iziT​Azi​ over random sign vectors ziz_izi​. Each sample costs one matrix–vector product, uses one random bit per entry, and needs only additions and subtractions.

Before Avron and Toledo (2011), only the variance of such estimators had been analysed. A small variance does not say how many samples guarantee a given relative error with a given probability. Avron and Toledo gave the first bounds of this kind for several estimators. This mission covers the bound for Hutchinson's estimator, their Theorem 7.1.

Setting

A Rademacher random variable takes the values +1+1+1 and −1-1−1, each with probability 1/21/21/2. Let A∈Rn×nA \in \mathbb{R}^{n\times n}A∈Rn×n be symmetric positive semi-definite. Draw M≥1M \ge 1M≥1 independent random vectors z1,…,zM∈Rnz_1, \ldots, z_M \in \mathbb{R}^nz1​,…,zM​∈Rn whose MnMnMn entries are independent Rademacher variables. Hutchinson's trace estimator is

HM=1M∑i=1MziTAzi.H_M = \frac{1}{M}\sum_{i=1}^{M} z_i^TAz_i .HM​=M1​i=1∑M​ziT​Azi​.

A single sample zTAzz^TAzzTAz is an unbiased estimator of trace(A)\mathrm{trace}(A)trace(A) (Lemma 2.1 of the paper, due to Hutchinson). For symmetric AAA its variance is 2(∥A∥F2−∑iAii2)2\bigl(\|A\|_F^2 - \sum_i A_{ii}^2\bigr)2(∥A∥F2​−∑i​Aii2​), twice the squared Frobenius mass of AAA off the diagonal.

Given ϵ>0\epsilon > 0ϵ>0 and δ∈(0,1)\delta \in (0,1)δ∈(0,1), a random estimator TTT is an (ϵ,δ)(\epsilon,\delta)(ϵ,δ)-approximator of trace(A)\mathrm{trace}(A)trace(A) if

Pr⁡(∣T−trace(A)∣≤ϵ trace(A))≥1−δ.\Pr\bigl(|T - \mathrm{trace}(A)| \le \epsilon\,\mathrm{trace}(A)\bigr) \ge 1 - \delta .Pr(∣T−trace(A)∣≤ϵtrace(A))≥1−δ.

The rank rank(A)\mathrm{rank}(A)rank(A) is the number of nonzero eigenvalues λj\lambda_jλj​ of AAA, counted with multiplicity.

Formalization targets

Goal: Theorem 7.1, sample bound for HMH_MHM​

For every symmetric positive semi-definite AAA, every 0<ϵ≤1/20 < \epsilon \le 1/20<ϵ≤1/2 and every 0<δ<10 < \delta < 10<δ<1,

M≥6ϵ−2ln⁡ ⁣(2 rank(A)δ)⟹HM is an (ϵ,δ)-approximator of trace(A).M \ge 6\epsilon^{-2}\ln\!\left(\frac{2\,\mathrm{rank}(A)}{\delta}\right) \quad\Longrightarrow\quad H_M \text{ is an } (\epsilon,\delta)\text{-approximator of } \mathrm{trace}(A).M≥6ϵ−2ln(δ2rank(A)​)⟹HM​ is an (ϵ,δ)-approximator of trace(A).

The bound depends on AAA only through its rank. It does not depend on the dimension nnn, on the condition number, or on how the trace is spread over the diagonal.

Milestones

  1. Lemma 7.2 (Achlioptas 2001, Lemma 5). For a unit vector α∈Rn\alpha \in \mathbb{R}^nα∈Rn and S=1M∑i=1M(αTzi)2S = \frac1M\sum_{i=1}^M(\alpha^Tz_i)^2S=M1​∑i=1M​(αTzi​)2, for every ϵ>0\epsilon > 0ϵ>0,
Pr⁡(∣S−1∣≥ϵ)≤2exp⁡ ⁣(−M2(ϵ22−ϵ33)).\Pr(|S - 1| \ge \epsilon) \le 2\exp\!\left(-\frac{M}{2}\left(\frac{\epsilon^2}{2} - \frac{\epsilon^3}{3}\right)\right).Pr(∣S−1∣≥ϵ)≤2exp(−2M​(2ϵ2​−3ϵ3​)).
  1. Per-direction bound (proof of Theorem 7.1, p. 8:11). Let r≥1r \ge 1r≥1 and 0<ϵ≤1/20 < \epsilon \le 1/20<ϵ≤1/2. If M≥6ϵ−2ln⁡(2r/δ)M \ge 6\epsilon^{-2}\ln(2r/\delta)M≥6ϵ−2ln(2r/δ), then Pr⁡(∣S−1∣≥ϵ)≤δ/r\Pr(|S - 1| \ge \epsilon) \le \delta/rPr(∣S−1∣≥ϵ)≤δ/r.
  2. From directions to the trace (proof of Theorem 7.1, p. 8:11). Write A=UΛUTA = U\Lambda U^TA=UΛUT and yi=UTziy_i = U^Tz_iyi​=UTzi​. If ∣1M∑iyij2−1∣≤ϵ|\frac1M\sum_i y_{ij}^2 - 1| \le \epsilon∣M1​∑i​yij2​−1∣≤ϵ for every jjj with λj≠0\lambda_j \ne 0λj​=0, then ∣HM−trace(A)∣≤ϵ trace(A)|H_M - \mathrm{trace}(A)| \le \epsilon\,\mathrm{trace}(A)∣HM​−trace(A)∣≤ϵtrace(A). This step is deterministic.
  3. Lemma 2.1 (Hutchinson). E(zTAz)=trace(A)\mathrm{E}(z^TAz) = \mathrm{trace}(A)E(zTAz)=trace(A), and for symmetric AAA, Var(zTAz)=2(∥A∥F2−∑iAii2)\mathrm{Var}(z^TAz) = 2(\|A\|_F^2 - \sum_i A_{ii}^2)Var(zTAz)=2(∥A∥F2​−∑i​Aii2​).

Significance

Theorem 7.1 gives a practitioner an explicit number of matrix–vector products after which Hutchinson's method is guaranteed to reach relative accuracy ϵ\epsilonϵ with confidence 1−δ1-\delta1−δ. No bound was available before, although the method had been in wide use for two decades. The bound exceeds the one the same paper proves for Gaussian test vectors (20ϵ−2ln⁡(2/δ)20\epsilon^{-2}\ln(2/\delta)20ϵ−2ln(2/δ)) by a ln⁡(rank(A))\ln(\mathrm{rank}(A))ln(rank(A)) factor. The authors conjecture that this factor is not needed. Later work removed it: Roosta-Khorasani and Ascher (2015) proved a rank-free bound for the Rademacher case, and Cortinovis and Kressner (2022) extended sample bounds to indefinite matrices. Sample bounds of this type underlie variance-reduced estimators such as Hutch++ (Meyer et al. 2021).

The theorem is proved in the literature. To the platform's knowledge it has no machine-checked proof. Formalizing it produces a checked Rademacher concentration inequality for averages of squared linear forms (Achlioptas' lemma, which is also a core lemma of database-friendly Johnson–Lindenstrauss projections), and a checked spectral reduction from a quadratic-form estimator to its eigen-directions. Neither is currently in Mathlib.

Difficulty

The estimator is not an average of independent copies of a bounded variable with a small range: a single sample zTAzz^TAzzTAz can deviate from trace(A)\mathrm{trace}(A)trace(A) by an amount comparable to ∥A∥Fn\|A\|_F\sqrt n∥A∥F​n​. Chebyshev's inequality with the variance of Lemma 2.1 only gives a polynomial dependence on 1/δ1/\delta1/δ. Hoeffding's inequality applied to zTAzz^TAzzTAz directly gives a dependence on nnn and on the size of the entries of AAA. Unlike the Gaussian case, the estimator cannot be written as a weighted sum of independent chi-squared variables, because rotating a Rademacher vector does not give another Rademacher vector. The central difficulty is Lemma 7.2: a tail bound for (αTz)2(\alpha^Tz)^2(αTz)2 that holds uniformly over every unit direction α\alphaα, including directions in which αTz\alpha^TzαTz is far from Gaussian (for α=e1\alpha = e_1α=e1​ it is a constant).

Formalization scope

Matrices are Matrix (Fin n) (Fin n) ℝ, and positive semi-definiteness is Matrix.PosSemidef. The Rademacher law is 12(δ1+δ−1)\tfrac12(\delta_1 + \delta_{-1})21​(δ1​+δ−1​) on ℝ. The sample space is Fin M → Fin n → ℝ with the product of MnMnMn copies of this law (hutchinsonSampleMeasure), so the law of the estimator is constructed, not assumed. HM(ω)=(M:R)−1∑iωi⋅(Aωi)H_M(\omega) = (M:\mathbb{R})^{-1}\sum_i \omega_i\cdot(A\omega_i)HM​(ω)=(M:R)−1∑i​ωi​⋅(Aωi​). Probabilities are Measure.real, and the (ϵ,δ)(\epsilon,\delta)(ϵ,δ)-approximator is Definition 4.1 verbatim. rank(A)\mathrm{rank}(A)rank(A) is Matrix.rank. In Lemma 7.2 the i.i.d. copies QiQ_iQi​ are the functions (α⋅zi)2(\alpha\cdot z_i)^2(α⋅zi​)2 on this product space.

Corrections of printed statements, each recorded in the item's Formalization Note:

  • Theorem 7.1 is printed without a range on ϵ\epsilonϵ. Its proof needs M2(ϵ22−ϵ33)≥Mϵ26\frac{M}{2}(\frac{\epsilon^2}{2} - \frac{\epsilon^3}{3}) \ge \frac{M\epsilon^2}{6}2M​(2ϵ2​−3ϵ3​)≥6Mϵ2​, which holds exactly when ϵ≤1/2\epsilon \le 1/2ϵ≤1/2. Without a range the printed statement is false: take A=1n11TA = \frac1n\mathbf 1\mathbf 1^TA=n1​11T, n=104n = 10^4n=104, ϵ=10\epsilon = 10ϵ=10 and δ=10−4\delta = 10^{-4}δ=10−4. The condition admits M=1M = 1M=1, while Pr⁡(H1>11)≈9⋅10−4>δ\Pr(H_1 > 11) \approx 9\cdot10^{-4} > \deltaPr(H1​>11)≈9⋅10−4>δ. The goal and milestone 2 are therefore stated for 0<ϵ≤1/20 < \epsilon \le 1/20<ϵ≤1/2.
  • Lemma 2.1 is printed for an arbitrary n×nn\times nn×n matrix. The variance formula fails for non-symmetric AAA: for A=(0100)A = \begin{pmatrix}0&1\\0&0\end{pmatrix}A=(00​10​) the variance is 111, not 222. Symmetry is assumed for the variance part only.
  • Proof of Theorem 7.1. The proof writes Λ=UAUT\Lambda = UAU^TΛ=UAUT together with yi=UTziy_i = U^Tz_iyi​=UTzi​. These fit together only for A=UΛUTA = U\Lambda U^TA=UΛUT, which is the convention of milestone 3.

For A=0A = 0A=0 the threshold involves ln⁡0\ln 0ln0. Lean's Real.log 0 = 0 turns the condition into M≥0M \ge 0M≥0, which agrees with the paper's reading ln⁡0=−∞\ln 0 = -\inftyln0=−∞. The conclusion then holds because HM=trace(A)=0H_M = \mathrm{trace}(A) = 0HM​=trace(A)=0, so no extra hypothesis is added. A formalization that took the law of the samples as a hypothesis could make that hypothesis unsatisfiable and the theorem vacuous; the constructed product space rules this out.

A complete development needs:

  • the product Rademacher measure and moment generating functions of Rademacher sums;
  • a Chernoff bound for averages of i.i.d. bounded variables on a product space;
  • the spectral theorem for real symmetric matrices, with rank equal to the number of nonzero eigenvalues;
  • a finite union bound.

The Rademacher concentration results are reusable beyond this mission. Proofs of any milestone are welcome, as are alternative proofs of Lemma 7.2.

Selected references

  • H. Avron and S. Toledo, Randomized algorithms for estimating the trace of an implicit symmetric positive semi-definite matrix, Journal of the ACM 58(2), Article 8, 2011. https://doi.org/10.1145/1944345.1944349
  • M. F. Hutchinson, A stochastic estimator of the trace of the influence matrix for Laplacian smoothing splines, Communications in Statistics – Simulation and Computation 18(3), 1059–1076, 1989. https://doi.org/10.1080/03610918908812806
  • D. Achlioptas, Database-friendly random projections, Proceedings of PODS 2001, 274–281. https://doi.org/10.1145/375551.375608
  • F. Roosta-Khorasani and U. Ascher, Improved bounds on sample size for implicit matrix trace estimators, Foundations of Computational Mathematics 15, 1187–1212, 2015. https://doi.org/10.1007/s10208-014-9220-1
  • A. Cortinovis and D. Kressner, On randomized trace estimates for indefinite matrices with an application to determinants, Foundations of Computational Mathematics 22, 875–903, 2022. https://doi.org/10.1007/s10208-021-09525-9
  • R. A. Meyer, C. Musco, C. Musco and D. P. Woodruff, Hutch++: Optimal stochastic trace estimation, SOSA 2021, 142–155. https://doi.org/10.1137/1.9781611976496.16
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Linear algebraProbabilityRandom Matrix Theory·Captain: mikedeng1

Randomized Algorithms for Estimating the Trace of an Implicit Symmetric Positive Semi-Definite Matrix II: Exact Rank of a Projection Matrix from the Gaussian Trace EstimatorResearch Paper

Motivation

Many matrices in scientific computing are available only implicitly: one can multiply a vector by AAA, for instance by solving a linear system or applying a matrix function, but the entries of AAA are never formed. Quantities such as the trace must then be estimated from a small number of matrix–vector products. Randomized trace estimators do exactly this: draw random vectors zzz, compute the quadratic forms zTAzz^TAzzTAz, and average.

Avron and Toledo (J. ACM 58(2), 2011) gave the first sample bounds of the form "MMM samples suffice for relative error ϵ\epsilonϵ with probability 1−δ1-\delta1−δ" for the standard estimators. Among their results is a case in which the estimate is not merely approximate but exact: when AAA is a projection matrix, its trace equals its rank, an integer, and rounding a Gaussian trace estimate recovers that integer with high probability. Computing the rank of a projection arises, for example, when charge densities are computed in electronic structure calculations without diagonalization (Bekas, Kokiopoulou and Saad 2007).

Setting

Let n≥1n \ge 1n≥1 and A∈Rn×nA \in \mathbb{R}^{n\times n}A∈Rn×n. A projection matrix here is an orthogonal projection: AAA is symmetric and A2=AA^2 = AA2=A. Equivalently, AAA is symmetric and every eigenvalue of AAA is 000 or 111; its rank rank(A)\mathrm{rank}(A)rank(A) is the number of eigenvalues equal to 111.

Fix a number of samples M≥1M \ge 1M≥1. Let z1,…,zM∈Rnz_1,\ldots,z_M \in \mathbb{R}^nz1​,…,zM​∈Rn be random vectors whose MnMnMn entries are independent standard normal random variables. The Gaussian trace estimator (Definition 3.1 of the paper) is

GM=1M∑i=1MziTAzi.G_M = \frac{1}{M}\sum_{i=1}^{M} z_i^T A z_i .GM​=M1​i=1∑M​ziT​Azi​.

Its expectation is trace(A)\mathrm{trace}(A)trace(A). For x∈Rx \in \mathbb{R}x∈R, round(x)\mathrm{round}(x)round(x) denotes the nearest integer to xxx. For k≥1k \ge 1k≥1, a random variable XXX has the χ2\chi^2χ2 distribution with kkk degrees of freedom, X∼χ2(k)X \sim \chi^2(k)X∼χ2(k), if it has the law of g12+⋯+gk2g_1^2 + \cdots + g_k^2g12​+⋯+gk2​ for independent standard normal g1,…,gkg_1, \ldots, g_kg1​,…,gk​.

Formalization targets

Goal: Lemma 5.3 (p. 8:9)

For a projection matrix AAA, a failure probability δ>0\delta > 0δ>0, and every integer M≥1M \ge 1M≥1 with M≥24 rank(A)ln⁡(2/δ)M \ge 24\,\mathrm{rank}(A)\ln(2/\delta)M≥24rank(A)ln(2/δ),

Pr⁡(round(GM)≠rank(A))≤δ.\Pr\bigl(\mathrm{round}(G_M) \ne \mathrm{rank}(A)\bigr) \le \delta .Pr(round(GM​)=rank(A))≤δ.

The number of samples depends on the rank and on δ\deltaδ only; there is no accuracy parameter, and none on nnn.

Milestones, in the order the proof uses them

  1. Law of MGMMG_MMGM​. MGM∼χ2(M rank(A))MG_M \sim \chi^2(M\,\mathrm{rank}(A))MGM​∼χ2(Mrank(A)).
  2. χ2\chi^2χ2 tail bound (cited by the paper from Li, Hastie and Church 2007). For X∼χ2(k)X \sim \chi^2(k)X∼χ2(k), k≥1k\ge1k≥1 and 0<ϵ≤120 < \epsilon \le \tfrac120<ϵ≤21​,
Pr⁡(∣X−k∣≥ϵk)≤2exp⁡(−kϵ2/6).\Pr(|X - k| \ge \epsilon k) \le 2\exp(-k\epsilon^2/6).Pr(∣X−k∣≥ϵk)≤2exp(−kϵ2/6).
  1. Tail of GMG_MGM​. For rank(A)≥1\mathrm{rank}(A) \ge 1rank(A)≥1 and 0<ϵ≤120 < \epsilon \le \tfrac120<ϵ≤21​,
Pr⁡(∣GM−rank(A)∣≥rank(A)ϵ)≤2exp⁡(−M rank(A)ϵ2/6).\Pr(|G_M - \mathrm{rank}(A)| \ge \mathrm{rank}(A)\epsilon) \le 2\exp(-M\,\mathrm{rank}(A)\epsilon^2/6).Pr(∣GM​−rank(A)∣≥rank(A)ϵ)≤2exp(−Mrank(A)ϵ2/6).
  1. Eq. (2). If moreover M≥6 rank(A)−1ϵ−2ln⁡(2/δ)M \ge 6\,\mathrm{rank}(A)^{-1}\epsilon^{-2}\ln(2/\delta)M≥6rank(A)−1ϵ−2ln(2/δ), then Pr⁡(∣GM−rank(A)∣≥rank(A)ϵ)≤δ\Pr(|G_M - \mathrm{rank}(A)| \ge \mathrm{rank}(A)\epsilon) \le \deltaPr(∣GM​−rank(A)∣≥rank(A)ϵ)≤δ.
  2. Trace of a projection. trace(A)=rank(A)\mathrm{trace}(A) = \mathrm{rank}(A)trace(A)=rank(A).

Significance

The lemma turns a randomized estimator into an exact algorithm with a controlled failure probability: the rank of an implicitly given projection is obtained from O(rank(A)log⁡(1/δ))O(\mathrm{rank}(A)\log(1/\delta))O(rank(A)log(1/δ)) matrix–vector products, independently of the dimension nnn. It is also an instance where the paper's general relative-error bound for the Gaussian estimator (Theorem 5.2, whose sample count grows like ϵ−2\epsilon^{-2}ϵ−2) is improved by exploiting the spectrum of AAA: an absolute error below 12\tfrac1221​ is a relative error ϵ=1/(2 rank(A))\epsilon = 1/(2\,\mathrm{rank}(A))ϵ=1/(2rank(A)), for which the general bound would require a number of samples quadratic in the rank, whereas Lemma 5.3 needs only a linear number.

The result is proved in the paper. The mission produces a machine-checked version of it, together with two pieces of reusable substrate: the exact χ2\chi^2χ2 law of a Gaussian quadratic form in an orthogonal projection, and a two-sided χ2\chi^2χ2 tail bound with explicit constant 1/61/61/6 on the range 0<ϵ≤1/20<\epsilon\le 1/20<ϵ≤1/2. To the best of available knowledge, none of these statements is formalized in Mathlib; a platform mission on the Johnson–Lindenstrauss lemma states a χ2\chi^2χ2 concentration bound with a different exponent, (ϵ2−ϵ3)/4(\epsilon^2-\epsilon^3)/4(ϵ2−ϵ3)/4, on the open range 0<ϵ<1/20<\epsilon<1/20<ϵ<1/2, which does not cover the value ϵ=1/2\epsilon = 1/2ϵ=1/2 needed here when rank(A)=1\mathrm{rank}(A)=1rank(A)=1.

Difficulty

The deterministic part is short; the probabilistic part is not. The step "y=Uzy = Uzy=Uz has independent standard normal entries because UUU is orthogonal" is the rotation invariance of the standard Gaussian measure on Rn\mathbb{R}^nRn, and it must be combined with the independence of the MMM samples to identify the law of a sum of M rank(A)M\,\mathrm{rank}(A)Mrank(A) squares; this is a statement about product measures and pushforwards, not about moments. The χ2\chi^2χ2 tail bound is quoted by the paper without proof. Its constant 1/61/61/6 is not the constant of the usual textbook χ2\chi^2χ2 estimates, and the bound is false outside a restricted range of ϵ\epsilonϵ (see below), so a generic sub-exponential concentration inequality with unspecified constants does not deliver it. Finally, the rounding step requires matching Mathlib's round with the event ∣GM−rank(A)∣<12|G_M - \mathrm{rank}(A)| < \tfrac12∣GM​−rank(A)∣<21​.

Formalization scope

All declarations live in the namespace TraceEstimation.ProjectionRank. Matrices are Matrix (Fin n) (Fin n) ℝ. The sample space of GMG_MGM​ is Fin M → Fin n → ℝ with the product measure Measure.pi (fun _ => Measure.pi (fun _ => gaussianReal 0 1)), so the law of the estimator is constructed, not assumed. Probabilities are Measure.real of events. "Projection matrix" is A.IsHermitian ∧ A * A = A (orthogonal projection); a non-symmetric idempotent also has eigenvalues 000 and 111, but the paper's proof diagonalizes AAA by a unitary matrix, which requires symmetry. round is Mathlib's round : ℝ → ℤ; the rank is Matrix.rank. The χ2\chi^2χ2 distribution is not defined: its role is played by the pushforward of a product of standard normals under g↦∑lgl2g \mapsto \sum_l g_l^2g↦∑l​gl2​.

Corrections of the printed text, both in the χ2\chi^2χ2 tail bound (milestone 2):

  • The paper prints Pr⁡(∣X−k∣≤ϵk)≤2exp⁡(−kϵ2/6)\Pr(|X - k| \le \epsilon k) \le 2\exp(-k\epsilon^2/6)Pr(∣X−k∣≤ϵk)≤2exp(−kϵ2/6). The inner ≤\le≤ is a misprint for ≥\ge≥; the next display applies the bound with ≥\ge≥.
  • The paper gives no range for ϵ\epsilonϵ. The bound fails for ϵ=1\epsilon = 1ϵ=1 and large kkk, since Pr⁡(X≥2k)\Pr(X \ge 2k)Pr(X≥2k) decays like e−k(1−ln⁡2)/2e^{-k(1-\ln 2)/2}e−k(1−ln2)/2, slower than e−k/6e^{-k/6}e−k/6. The mission states it for 0<ϵ≤1/20<\epsilon\le 1/20<ϵ≤1/2, and milestones 3 and 4 inherit that range; the proof uses only ϵ=1/(2 rank(A))≤1/2\epsilon = 1/(2\,\mathrm{rank}(A)) \le 1/2ϵ=1/(2rank(A))≤1/2.

The goal keeps the paper's hypotheses: δ>0\delta > 0δ>0 with no upper bound, and rank(A)=0\mathrm{rank}(A) = 0rank(A)=0 allowed (both are true cases). A statement about the event ∣GM−rank(A)∣<12|G_M - \mathrm{rank}(A)| < \tfrac12∣GM​−rank(A)∣<21​, or Eq. (2) alone, is not the goal; the goal is about round(GM)\mathrm{round}(G_M)round(GM​). The sample measure is a probability measure, so the bound ≤δ\le \delta≤δ is not vacuous.

Contributions welcome beyond the milestones: rotation invariance of the standard Gaussian vector under orthogonal matrices, the moment generating function of χ2(k)\chi^2(k)χ2(k), and the spectral fact trace(A)=rank(A)\mathrm{trace}(A) = \mathrm{rank}(A)trace(A)=rank(A) for idempotents, each reusable well outside this mission.

Selected references

  • H. Avron and S. Toledo, Randomized algorithms for estimating the trace of an implicit symmetric positive semi-definite matrix, Journal of the ACM 58(2), Article 8, 2011. https://doi.org/10.1145/1944345.1944349
  • P. Li, T. Hastie and K. Church, Nonlinear estimators and tail bounds for dimension reduction in l1l_1l1​ using Cauchy random projections, in Learning Theory (COLT 2007), Lecture Notes in Computer Science 4539, Springer, 514–529, 2007 (the version the paper cites); journal version in Journal of Machine Learning Research 8, 2497–2532, 2007, https://jmlr.org/papers/v8/li07b.html
  • C. Bekas, E. Kokiopoulou and Y. Saad, An estimator for the diagonal of a matrix, Applied Numerical Mathematics 57(11–12), 1214–1229, 2007. https://doi.org/10.1016/j.apnum.2007.01.003
  • M. F. Hutchinson, A stochastic estimator of the trace of the influence matrix for Laplacian smoothing splines, Communications in Statistics – Simulation and Computation 19(2), 433–450, 1990. https://doi.org/10.1080/03610919008812866
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Linear OptimizationOptimization·Captain: mikedeng1

The Relaxation Method for Linear Inequalities II: For a Lower-Dimensional Solution Polytope Infinite Reflexions Settle on a Sphere with Axis L_rResearch Paper

Motivation

Finding a point that satisfies a finite system of linear inequalities is the feasibility half of linear programming, and it is the problem that iterative projection methods were designed for. In 1954 S. Agmon (The relaxation method for linear inequalities, Canad. J. Math. 6, 382–392) and T. S. Motzkin and I. J. Schoenberg (The relaxation method for linear inequalities, Canad. J. Math. 6, 393–404) analysed the simplest such method: from a point that violates the system, move towards the most violated half-space. The method is a precursor of the perceptron algorithm and of projection and reflection algorithms for convex feasibility problems.

The paper distinguishes whether the solution set is full-dimensional or not. This mission covers the case in which it is not (Theorem 2 of the paper); the full-dimensional case is a separate mission of the same series.

Timeline.

  • 1922. L. Fejér observes that the points "closest" to a set, in a point-wise sense, form its convex hull (cited on p. 393).
  • 1954. Agmon proves that for a parameter 0<λ<20 < \lambda < 20<λ<2 an infinite relaxation sequence converges to a point of the solution set.
  • 1954. Motzkin and Schoenberg reprove Agmon's result and treat the extreme parameter λ=2\lambda = 2λ=2, the reflexion method: it always terminates when the solution set is full-dimensional (Theorem 1), and when it is not, an infinite reflexion sequence ends on a sphere around the affine hull of the solution set (Theorem 2, Case 2).

Setting

Let EnE_nEn​ be nnn-dimensional Euclidean space with distance ∣x−y∣|x - y|∣x−y∣. A system of mmm linear inequalities

∑j=1naijxj+bi⩾0(i=1,…,m)\sum_{j=1}^n a_{ij}x_j + b_i \geqslant 0 \qquad (i = 1, \dots, m)j=1∑n​aij​xj​+bi​⩾0(i=1,…,m)

is given by vectors ai∈Ena_i \in E_nai​∈En​ and numbers bib_ibi​. Each inequality defines a closed half-space Hi={x:⟨ai,x⟩+bi⩾0}H_i = \{x : \langle a_i, x\rangle + b_i \geqslant 0\}Hi​={x:⟨ai​,x⟩+bi​⩾0}, and the solution set is the polytope A=⋂iHiA = \bigcap_i H_iA=⋂i​Hi​, assumed nonempty. Its affine hull is an rrr-dimensional flat LrL_rLr​; this mission assumes r<nr < nr<n, that is, Lr≠EnL_r \neq E_nLr​=En​.

A relaxation step with parameter λ\lambdaλ from a point p∉Ap \notin Ap∈/A chooses a half-space HjH_jHj​ at maximal distance from ppp, the point q∈Hjq \in H_jq∈Hj​ nearest to ppp, and moves to

p1=p+λ(q−p).p_1 = p + \lambda (q - p).p1​=p+λ(q−p).

For λ=2\lambda = 2λ=2 the new point is the mirror image of ppp in the boundary hyperplane πj\pi_jπj​ of HjH_jHj​. A run is a sequence p0,p1,…p_0, p_1, \dotsp0​,p1​,… in which every point outside AAA is followed by a relaxation step. The run terminates if some pN∈Ap_N \in ApN​∈A; otherwise it is an infinite sequence.

A sequence q0,q1,…q_0, q_1, \dotsq0​,q1​,… outside AAA is Fejér-monotone with respect to AAA if qν≠qν+1q_\nu \neq q_{\nu+1}qν​=qν+1​ and ∣qν+1−a∣⩽∣qν−a∣|q_{\nu+1} - a| \leqslant |q_\nu - a|∣qν+1​−a∣⩽∣qν​−a∣ for all a∈Aa \in Aa∈A and all ν\nuν.

For a flat LLL and a point c∉Lc \notin Lc∈/L, the locus

X(L,c)={x:∣x−a∣=∣c−a∣ for all a∈L}X(L, c) = \{x : |x - a| = |c - a| \text{ for all } a \in L\}X(L,c)={x:∣x−a∣=∣c−a∣ for all a∈L}

is a sphere of dimension n−r−1n - r - 1n−r−1 centred at the orthogonal projection of ccc onto LLL and lying in the flat through that centre normal to LLL. The paper calls it a spherical surface having LLL as its axis. For r=n−1r = n - 1r=n−1 it consists of two points symmetric with respect to the hyperplane LLL.

Formalization targets

Goal: Theorem 2

Assume AAA is nonempty and Lr≠EnL_r \neq E_nLr​=En​.

Case 1 (0<λ<20 < \lambda < 20<λ<2). Every run either terminates or converges to a point of AAA:

(∃N, pN∈A) ∨ (∃ l∈A, pν→l).(\exists N,\ p_N \in A) \ \lor\ (\exists\, l \in A,\ p_\nu \to l).(∃N, pN​∈A) ∨ (∃l∈A, pν​→l).

Case 2 (λ=2\lambda = 2λ=2). Every run either terminates or ends on one sphere with axis LrL_rLr​:

(∃N, pN∈A) ∨ (∃ ν0, ∃ c∉Lr, ∀ν⩾ν0, pν∈X(Lr,c)).(\exists N,\ p_N \in A) \ \lor\ \big(\exists\, \nu_0,\ \exists\, c \notin L_r,\ \forall \nu \geqslant \nu_0,\ p_\nu \in X(L_r, c)\big).(∃N, pN​∈A) ∨ (∃ν0​, ∃c∈/Lr​, ∀ν⩾ν0​, pν​∈X(Lr​,c)).

Case 1 is Agmon's theorem; Case 2 is the paper's own contribution.

Milestones (the paper's own intermediate claims)

  1. §2, (1.10): X(L,p)X(L, p)X(L,p) is the sphere of the normal flat at the projection bbb of ppp, centred at bbb through ppp, and LLL is exactly the set of points equidistant from all points of that sphere.
  2. §1: an infinite run with 0<λ⩽20 < \lambda \leqslant 20<λ⩽2 is Fejér-monotone with respect to AAA.
  3. Lemma 1, Case 2: if r<nr < nr<n, a Fejér-monotone sequence either converges or all its limit points lie on one sphere X(Lr,c)X(L_r, c)X(Lr​,c) with c∉Lrc \notin L_rc∈/Lr​.
  4. §5: the limit of a convergent infinite run lies in AAA, on its boundary.
  5. (3.2)/(3.7): if r<nr < nr<n and an infinite run does not converge, then inf⁡ν∣pν+1−pν∣>0\inf_\nu |p_{\nu+1} - p_\nu| > 0infν​∣pν+1​−pν​∣>0.
  6. §8: an infinite reflexion run (λ=2\lambda = 2λ=2) does not converge.

An additional item, Corollary 1, states that for r<nr < nr<n and an infinite reflexion run, the hyperplanes πjν\pi_{j_\nu}πjν​​ used for ν>ν0\nu > \nu_0ν>ν0​ all contain AAA and hence LrL_rLr​.

Significance

The result. Theorem 2 completes the description of the reflexion method. Combined with Theorem 1 (termination when r=nr = nr=n), it says that the reflexion method either finds a solution or, when the solution set is flat, falls into a motion on a sphere about LrL_rLr​ that reveals the flat: by Corollary 1 the hyperplanes used from some point on contain LrL_rLr​. The paper notes that such hyperplanes can be used to reduce the problem to a lower dimension. Case 1 is the convergence theorem for under- and over-relaxation.

The formalization. The results are proved and classical, and no machine-checked proof of either theorem is known. This mission produces a Lean statement and, eventually, a proof of the convergence theory of the relaxation method for linear inequalities. Reusable pieces: Fejér monotonicity and its limit-point structure (Lemma 1), and the geometry of spheres with an affine axis. Proofs of individual milestones and of Corollary 1 are welcome contributions.

Difficulty

Fejér monotonicity alone gives boundedness and convergence of every distance ∣pν−a∣|p_\nu - a|∣pν​−a∣, a∈Aa \in Aa∈A, but not convergence of the sequence. When AAA lies in a proper flat, those distances fix a point only up to a sphere about LrL_rLr​, so the naive argument "the distances converge, hence the points converge" fails exactly in this mission's case. Lemma 1, Case 2 replaces convergence by the weaker statement that limit points lie on one sphere. For 0<λ<20 < \lambda < 20<λ<2 the obstacle is to exclude an oscillation on that sphere. For λ=2\lambda = 2λ=2 oscillation does happen, and the claim is that the run eventually lies on the sphere exactly, not just near it. That requires the finiteness of the family of half-spaces, not only compactness.

Formalization scope

  • Space and data. EuclideanSpace ℝ (Fin n); the system is a : Fin m → EuclideanSpace ℝ (Fin n), b : Fin m → ℝ, with ∑jaijxj=\sum_j a_{ij}x_j = ∑j​aij​xj​= inner ℝ (a i) x. Half-spaces are closed (⩾\geqslant⩾). Distances to half-spaces are Metric.infDist.
  • Standing hypotheses. The polytope is nonempty ((polytope a b).Nonempty), as the paper assumes from the outset. LrL_rLr​ is affineSpan ℝ (polytope a b), so "A⊂LrA \subset L_rA⊂Lr​" holds by construction, and "r<nr < nr<n" is affineSpan ℝ (polytope a b) ≠ ⊤. No separate natural number rrr is introduced.
  • The step is a relation. The paper makes FλF_\lambdaFλ​ single-valued by an unspecified pre-assigned rule for ties in (1.5). Here a step may use any maximizing index jjj, and every theorem quantifies over all runs, so each statement holds for every tie-breaking rule. The parameter λ\lambdaλ is named lam.
  • Runs. A run is any sequence p : ℕ → E with a relaxation step after every point outside AAA. Termination is ∃ N, p N ∈ A; an infinite sequence is ∀ ν, p ν ∉ A.
  • Spheres. axisSphere L c is the locus (1.10). Every statement that uses it as a sphere requires c ∉ L, which rules out the degenerate one-point locus. Without that requirement, Case 2 of Theorem 2 and Case 2 of Lemma 1 would be weaker than the paper's.
  • Limit points are cluster points of the sequence (MapClusterPt x atTop q), not points of the closure of its range. Boundary is the topological frontier.
  • Explicit choices recorded against the page.
    1. Lemma 1, Case 2 is stated for an arbitrary nonempty set AAA rather than for the polytope. This is stronger, and the proof uses only that AAA spans LrL_rLr​.
    2. The Fejér property (§1), the §5 limit claim and (3.2) are stated for 0<λ⩽20 < \lambda \leqslant 20<λ⩽2, because the paper proves them for λ<2\lambda < 2λ<2 and reuses them for λ=2\lambda = 2λ=2 in §§6–8. The §5 claim is also stated without a dimension hypothesis.
    3. The §8 non-convergence claim is stated without the section's assumption r<nr < nr<n, which its argument (§§5–6) does not use.
    4. Corollary 1 records the index used at each step (IsRelaxStepVia), which the relation hides. Its last sentence, on reducing the dimension, is commentary and is not formalized.
  • Ruled out. A formalization that fixes a tie-breaking rule, that asserts the statements only for some run, or that allows the sphere's point ccc to lie in LrL_rLr​ does not state Theorem 2.

Selected references

  • T. S. Motzkin and I. J. Schoenberg, The relaxation method for linear inequalities, Canadian Journal of Mathematics 6 (1954), 393–404. doi:10.4153/CJM-1954-038-x
  • S. Agmon, The relaxation method for linear inequalities, Canadian Journal of Mathematics 6 (1954), 382–392. doi:10.4153/CJM-1954-037-2
  • L. Fejér, Ueber die Lage der Nullstellen von Polynomen, die aus Minimumforderungen gewisser Arten entspringen, Mathematische Annalen 85 (1922), 41–48 (reference 2 of the paper).
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The Relaxation Method for Linear Inequalities I: For a Full-Dimensional Solution Polytope the Relaxation Converges and the Reflexion Method TerminatesResearch Paper

Motivation

Finding a point that satisfies a finite system of linear inequalities is the feasibility problem underlying linear programming, and it is also the basic step of many methods in signal and image reconstruction, where the system is too large to be solved by elimination. The relaxation method attacks it one inequality at a time: from the current point, move towards the half-space that is violated the most. Each step costs one pass over the rows and no factorization, which is why this family of iterations (with its relatives: Kaczmarz's method for equations, the projection methods for convex feasibility, and the perceptron algorithm) has been studied continuously since the early 1950s.

Timeline:

  • 1922. Fejér observes that the set of points of EnE_nEn​ that no other point dominates in distance to a closed set AAA is the convex hull of AAA (Motzkin and Schoenberg 1954, p. 393). This idea of moving to a point that is closer to every point of AAA drives the method.
  • 1954. Agmon (Canad. J. Math. 6, 382–392) proves that for a relaxation parameter 0<λ<20 < \lambda < 20<λ<2 the iterates either reach the solution set or converge to a point on its boundary.
  • 1954. Motzkin and Schoenberg (Canad. J. Math. 6, 393–404) reprove Agmon's theorem from a single lemma about Fejér-monotone sequences and treat the extreme case λ=2\lambda = 2λ=2, the reflexion method. When the solution set has full dimension, reflexion always stops after finitely many steps; no parameter 0<λ<20 < \lambda < 20<λ<2 has this property.

This mission is the first of three built on the Motzkin–Schoenberg paper: it covers the full-dimensional case, Theorem 1.

Setting

Let EnE_nEn​ be nnn-dimensional Euclidean space. A system of mmm linear inequalities

∑j=1naijxj+bi≥0(i=1,…,m)\sum_{j=1}^n a_{ij}x_j + b_i \ge 0 \qquad (i = 1, \dots, m)j=1∑n​aij​xj​+bi​≥0(i=1,…,m)

is given by rows ai∈Ena_i \in E_nai​∈En​ and constants bi∈Rb_i \in \mathbb Rbi​∈R. The iii-th inequality defines the closed half-space Hi={x:⟨ai,x⟩+bi≥0}H_i = \{x : \langle a_i, x\rangle + b_i \ge 0\}Hi​={x:⟨ai​,x⟩+bi​≥0}, and the set of solutions is the polytope A=⋂i=1mHiA = \bigcap_{i=1}^m H_iA=⋂i=1m​Hi​. The system is assumed consistent, so AAA is nonempty. The dimension rrr of AAA is the dimension of its affine hull; r=nr = nr=n means that AAA is not contained in any hyperplane.

Fix a relaxation parameter λ\lambdaλ with 0<λ≤20 < \lambda \le 20<λ≤2. From a point p∉Ap \notin Ap∈/A one relaxation step is:

  1. choose jjj with dist⁡(p,Hj)=max⁡idist⁡(p,Hi)\operatorname{dist}(p, H_j) = \max_i \operatorname{dist}(p, H_i)dist(p,Hj​)=maxi​dist(p,Hi​), a farthest half-space;
  2. let q∈Hjq \in H_jq∈Hj​ be the point with ∣p−q∣=dist⁡(p,Hj)|p - q| = \operatorname{dist}(p, H_j)∣p−q∣=dist(p,Hj​);
  3. set p1=p+λ(q−p)p_1 = p + \lambda (q - p)p1​=p+λ(q−p).

For λ=2\lambda = 2λ=2, p1p_1p1​ is the mirror image of ppp in the boundary hyperplane of HjH_jHj​. Iterating from a starting point p0p_0p0​ gives a sequence p0,p1,p2,…p_0, p_1, p_2, \dotsp0​,p1​,p2​,…; the process terminates when some pN∈Ap_N \in ApN​∈A, and otherwise produces an infinite sequence of points outside AAA.

A sequence q0,q1,…q_0, q_1, \dotsq0​,q1​,… of points outside AAA is Fejér-monotone with respect to AAA if qi≠qi+1q_i \ne q_{i+1}qi​=qi+1​ and ∣qi+1−a∣≤∣qi−a∣|q_{i+1} - a| \le |q_i - a|∣qi+1​−a∣≤∣qi​−a∣ for all a∈Aa \in Aa∈A and all iii.

Formalization targets

Goal: Theorem 1 (p. 395)

Assume A≠∅A \ne \emptysetA=∅ and r=nr = nr=n. For every starting point and every choice of farthest half-space at every step:

Case 1: 0<λ<2  ⟹  (∃N, pN∈A) ∨ (pν→l for some l∈∂A),\text{Case 1: } 0 < \lambda < 2 \implies \big(\exists N,\ p_N \in A\big) \ \lor\ \big(p_\nu \to l \text{ for some } l \in \partial A\big),Case 1: 0<λ<2⟹(∃N, pN​∈A) ∨ (pν​→l for some l∈∂A), Case 2: λ=2  ⟹  ∃N, pN∈A.\text{Case 2: } \lambda = 2 \implies \exists N,\ p_N \in A .Case 2: λ=2⟹∃N, pN​∈A.

The goal is the paper's theorem as stated, both cases in one statement. It fixes no constants and no rates.

Milestones

  1. §1, pp. 393–394. For p∉Hjp \notin H_jp∈/Hj​, qqq the point of HjH_jHj​ nearest to ppp and p1=p+λ(q−p)p_1 = p + \lambda(q - p)p1​=p+λ(q−p) with 0<λ≤20 < \lambda \le 20<λ≤2: p1≠pp_1 \ne pp1​=p and ∣p1−a∣≤∣p−a∣|p_1 - a| \le |p - a|∣p1​−a∣≤∣p−a∣ for all a∈Aa \in Aa∈A, strictly when λ<2\lambda < 2λ<2; for λ=2\lambda = 2λ=2 equality holds exactly at the points of AAA on the boundary πj\pi_jπj​ of HjH_jHj​. Stated for any violated half-space, as on the page, so it covers every relaxation step.
  2. §5, p. 398. An infinite relaxation sequence is Fejér-monotone with respect to AAA.
  3. Lemma 1, Case 1, p. 397. If AAA has dimension nnn, every Fejér-monotone sequence converges to a point.
  4. §5, p. 399. The limit of a convergent infinite relaxation sequence lies on the boundary of AAA.

Significance

The result. Case 1 guarantees that the relaxation method never diverges or oscillates: it either solves the system or converges to a boundary solution. Case 2 gives more: for full-dimensional solution sets the reflexion method is a finite algorithm for linear feasibility. Remark 3(b) of the paper shows that this is special to λ=2\lambda = 2λ=2: for each 0<λ<20 < \lambda < 20<λ<2 there are planar examples where the iteration never stops. The companion missions of this series treat r<nr < nr<n (Theorem 2, where reflexion may settle on a sphere around the affine hull of AAA) and reflexion in a general bounded convex set (Theorem 3).

Formalizing it. Both cases are proved in the paper; to our knowledge none is formalized in Lean or Mathlib. The mission produces a reusable model of relaxation for linear inequalities and a Lean proof of a general convergence statement for Fejér-monotone sequences, which also applies to other projection methods. Formalizing the proof in the order of the paper (Lemma 1, then §§5–6) is the intended route; alternative proofs are welcome.

Difficulty

The first idea is that monotone distances to every point of AAA force convergence. They do not in general: Fejér-monotonicity only bounds the sequence and makes each distance ∣qν−a∣|q_\nu - a|∣qν​−a∣ converge, and when AAA lies in a hyperplane a Fejér-monotone sequence can keep oscillating between two mirror-image points. Convergence genuinely needs the full dimension of AAA, and the formal argument has to use that hypothesis in an essential way.

For Case 2, the difficulty is that a reflexion step does not shrink the distance to points of AAA on the reflecting hyperplane, so there is no uniform decrease to count. Termination must also use that the system has finitely many inequalities: for the infinite family of supporting half-spaces of a convex body, treated in the third mission of this series, reflexion need not terminate. A proof that works for a single step, or one that uses a fixed tie-breaking rule, does not cover the statement.

Formalization scope

  • The space is EuclideanSpace ℝ (Fin n); the rows are vectors a i, and ∑jaijxj\sum_j a_{ij} x_j∑j​aij​xj​ is inner ℝ (a i) x. Half-spaces are closed. Distances to sets are Metric.infDist.
  • The relaxation step is a relation IsRelaxStep a b lam p p', and any maximizing index jjj is allowed at every step. The paper makes the step single-valued by "some pre-assigned rule"; quantifying over all runs of the relation covers every such rule, so each theorem is at least as strong as the paper's.
  • A run is a sequence p : ℕ → E in which each point outside AAA is followed by a relaxation step (IsRelaxRun). Termination is ∃ N, p N ∈ A; an infinite sequence is ∀ ν, p ν ∉ A. Every theorem is stated for every run, never for one run.
  • The parameter λ\lambdaλ is named lam, because λ is a Lean keyword.
  • Nonemptiness of AAA ("assumed from the outset not to be void") is an explicit hypothesis. r=nr = nr=n is affineSpan ℝ A = ⊤, following the paper's own gloss "AAA is not contained in any hyperplane". "Boundary" is frontier A, and convergence is Tendsto p atTop (𝓝 l).
  • Lemma 1, Case 1 is stated for an arbitrary set AAA with affineSpan ℝ A = ⊤, which includes the paper's polytope.
  • The milestones of §5 (Fejér-monotonicity of the sequence, the limit on the boundary) are stated for 0<λ≤20 < \lambda \le 20<λ≤2 and without the dimension hypothesis. The paper proves them in §5 for 0<λ<20 < \lambda < 20<λ<2 and reuses the same argument in §6 for λ=2\lambda = 2λ=2.
  • Rows with ai=0a_i = 0ai​=0 are allowed (they give Hi=EnH_i = E_nHi​=En​ once A≠∅A \ne \emptysetA=∅); no nondegeneracy hypothesis is imposed.
  • Ruled out: a formalization of Case 2 that asserts termination for some starting point or some choice of indices, or one whose run hypothesis cannot be satisfied, would be vacuous. A relaxation step exists from every point outside a nonempty AAA, so the statement constrains every sequence the method can produce.

Useful infrastructure: the closed form dist⁡(p,H)=max⁡(0,−(⟨u,p⟩+c))/∣u∣\operatorname{dist}(p, H) = \max(0, -(\langle u, p\rangle + c))/|u|dist(p,H)=max(0,−(⟨u,p⟩+c))/∣u∣ for u≠0u \ne 0u=0 and the nearest point in a half-space; the characterization of affineSpan⁡=⊤\operatorname{affineSpan} = \topaffineSpan=⊤ via a nonempty interior for convex sets. The Fejér-monotone convergence lemma and the half-space projection lemmas are reusable beyond this mission.

Selected references

  • T. S. Motzkin and I. J. Schoenberg, The relaxation method for linear inequalities, Canadian Journal of Mathematics 6 (1954), 393–404. https://doi.org/10.4153/CJM-1954-038-x
  • S. Agmon, The relaxation method for linear inequalities, Canadian Journal of Mathematics 6 (1954), 382–392. https://doi.org/10.4153/CJM-1954-037-2
  • H. H. Bauschke and J. M. Borwein, On projection algorithms for solving convex feasibility problems, SIAM Review 38 (1996), 367–426. https://doi.org/10.1137/S0036144593251710
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Golden Ratio Algorithms for Variational Inequalities I: The Golden Ratio Algorithm with a Fixed Step Converges to a Solution of a Monotone Variational InequalityResearch Paper

Motivation

A monotone variational inequality asks for a point at which a monotone operator and a convex function are in equilibrium. It unifies convex minimization (where FFF is a gradient), convex–concave saddle-point problems (where FFF is the skew gradient of a Lagrangian), Nash equilibria of monotone games, and complementarity problems in economics and traffic assignment. In operations research, first-order methods for such problems are the workhorse behind large-scale saddle-point formulations of linear and conic programs, where only one operator evaluation and one projection or proximal step per iteration are affordable.

The classical method for Lipschitz monotone operators is Korpelevich's extragradient method (1976) and its proximal variant, Tseng's forward–backward–forward method (2000); both need two evaluations of FFF per iteration. The reflected projected gradient method of Malitsky (SIAM J. Optim., 2015) uses one evaluation of FFF but evaluates it at 2zk−zk−12z^k-z^{k-1}2zk−zk−1, a point that may lie outside the domain of ggg. Malitsky's Golden Ratio Algorithm (GRAAL), introduced in Golden Ratio Algorithms for Variational Inequalities (preprint 2018; published in Mathematical Programming, doi:10.1007/s10107-019-01416-w), uses one evaluation of FFF, always at a feasible point, and one proximal step per iteration. Its fixed-step version, Theorem 1 of that paper, is the subject of this mission; the explicit, adaptive-step version (Theorem 2) is a separate mission of this series.

Setting

Let E\mathcal EE be a finite-dimensional real inner product space with inner product ⟨⋅,⋅⟩\langle\cdot,\cdot\rangle⟨⋅,⋅⟩ and norm ∥⋅∥=⟨⋅,⋅⟩\|\cdot\| = \sqrt{\langle\cdot,\cdot\rangle}∥⋅∥=⟨⋅,⋅⟩​. Let g:E→(−∞,+∞]g:\mathcal E\to(-\infty,+\infty]g:E→(−∞,+∞] and write dom⁡g={x:g(x)<+∞}\operatorname{dom} g = \{x : g(x)<+\infty\}domg={x:g(x)<+∞}. Let F:dom⁡g→EF:\operatorname{dom} g\to\mathcal EF:domg→E. The variational inequality is

find z∗∈Esuch that⟨F(z∗),z−z∗⟩+g(z)−g(z∗) ≥ 0∀z∈E.(1)\text{find } z^*\in\mathcal E \quad\text{such that}\quad \langle F(z^*), z-z^*\rangle + g(z)-g(z^*)\ \ge\ 0\qquad \forall z\in\mathcal E. \tag{1}find z∗∈Esuch that⟨F(z∗),z−z∗⟩+g(z)−g(z∗) ≥ 0∀z∈E.(1)

The standing assumptions are:

  • (C1) the solution set SSS of (1) is nonempty;
  • (C2) ggg is proper (never −∞-\infty−∞, finite somewhere), convex, and lower semicontinuous;
  • (C3) FFF is monotone: ⟨F(u)−F(v),u−v⟩≥0\langle F(u)-F(v),u-v\rangle\ge0⟨F(u)−F(v),u−v⟩≥0 for all u,v∈dom⁡gu,v\in\operatorname{dom} gu,v∈domg.

The proximal operator of ggg is prox⁡g(z)=argmin⁡x{g(x)+12∥x−z∥2}\operatorname{prox}_g(z) = \operatorname{argmin}_x\{g(x)+\tfrac12\|x-z\|^2\}proxg​(z)=argminx​{g(x)+21​∥x−z∥2}. Let φ=5+12\varphi = \frac{\sqrt5+1}{2}φ=25​+1​ be the golden ratio, so that φ2=1+φ\varphi^2 = 1+\varphiφ2=1+φ. For a step λ>0\lambda>0λ>0 and arbitrary starting points z1,zˉ0∈Ez^1,\bar z^0\in\mathcal Ez1,zˉ0∈E, the Golden Ratio Algorithm generates, for k≥1k\ge1k≥1,

zˉk=(φ−1)zk+zˉk−1φ,zk+1=prox⁡λg(zˉk−λF(zk)).(6)\bar z^k = \frac{(\varphi-1)z^k + \bar z^{k-1}}{\varphi},\qquad z^{k+1} = \operatorname{prox}_{\lambda g}\big(\bar z^k - \lambda F(z^k)\big). \tag{6}zˉk=φ(φ−1)zk+zˉk−1​,zk+1=proxλg​(zˉk−λF(zk)).(6)

The first line is a convex combination of the newest iterate and the previous average; the second is a forward–backward step taken from the average rather than from zkz^kzk.

Formalization targets

Goal: Theorem 1

If FFF is LLL-Lipschitz on dom⁡g\operatorname{dom} gdomg (L>0L>0L>0), (C1)–(C3) hold, and λ∈(0,φ2L]\lambda\in\big(0,\frac{\varphi}{2L}\big]λ∈(0,2Lφ​], then there is z∗∈Sz^*\in Sz∗∈S with

zk→z∗andzˉk→z∗(k→∞).z^k\to z^*\qquad\text{and}\qquad \bar z^k\to z^*\qquad(k\to\infty).zk→z∗andzˉk→z∗(k→∞).

Both sequences converge, to one and the same solution. The goal is stated with the paper's exact step range; no rate is claimed, as the paper claims none.

Milestones

  1. Eq. (4), the prox-inequality: for proper convex lsc ggg,
xˉ=prox⁡gz  ⟺  ⟨xˉ−z,x−xˉ⟩≥g(xˉ)−g(x)∀x∈E.\bar x = \operatorname{prox}_g z \iff \langle\bar x - z, x-\bar x\rangle\ge g(\bar x)-g(x)\quad\forall x\in\mathcal E.xˉ=proxg​z⟺⟨xˉ−z,x−xˉ⟩≥g(xˉ)−g(x)∀x∈E.
  1. Eq. (12), an identity using only the averaging step of (6): for every point z∗z^*z∗,
∥zk+1−z∗∥2=(1+φ)∥zˉk+1−z∗∥2−φ∥zˉk−z∗∥2+1φ∥zk+1−zˉk∥2.\|z^{k+1}-z^*\|^2 = (1+\varphi)\|\bar z^{k+1}-z^*\|^2-\varphi\|\bar z^k-z^*\|^2+\tfrac1\varphi\|z^{k+1}-\bar z^k\|^2 .∥zk+1−z∗∥2=(1+φ)∥zˉk+1−z∗∥2−φ∥zˉk−z∗∥2+φ1​∥zk+1−zˉk∥2.
  1. Eq. (14), the energy inequality: for z∗∈Sz^*\in Sz∗∈S and k≥2k\ge2k≥2,
(1+φ)∥zˉk+1−z∗∥2+φ2∥zk+1−zk∥2≤(1+φ)∥zˉk−z∗∥2+φ2∥zk−zk−1∥2−φ∥zk−zˉk∥2.(1+\varphi)\|\bar z^{k+1}-z^*\|^2+\tfrac\varphi2\|z^{k+1}-z^k\|^2\le(1+\varphi)\|\bar z^k-z^*\|^2+\tfrac\varphi2\|z^k-z^{k-1}\|^2-\varphi\|z^k-\bar z^k\|^2 .(1+φ)∥zˉk+1−z∗∥2+2φ​∥zk+1−zk∥2≤(1+φ)∥zˉk−z∗∥2+2φ​∥zk−zk−1∥2−φ∥zk−zˉk∥2.
  1. Lemma 1 (Bauschke–Combettes, Theorem 5.5): a sequence that is Fejér monotone with respect to a nonempty set CCC and whose cluster points all lie in CCC converges to a point of CCC.

Significance

The result. Theorem 1 shows that monotone variational inequalities with a Lipschitz operator can be solved with one operator evaluation and one proximal step per iteration, with FFF evaluated only at points of dom⁡g\operatorname{dom} gdomg, where it is defined. This matters when FFF is expensive (a large matrix–vector product, a simulation) or undefined outside the feasible set (for instance an operator involving log⁡x\log xlogx on the positive orthant). The analysis also explains the constant: the averaging weight φ\varphiφ is the largest ccc with 1/c≥c−11/c\ge c-11/c≥c−1, and the step bound φ/(2L)\varphi/(2L)φ/(2L) follows from it. The fixed-step analysis is the template for the explicit, adaptive-step EGRAAL of the same paper (Theorem 2), which needs only local Lipschitz continuity of FFF.

The formalization. The theorem has a published proof, and no machine-checked version of it or of GRAAL is known. Mathlib contains the golden ratio, Lipschitz conditions, lower semicontinuity and cluster points, but no proximal operator of an extended-valued function, no prox-inequality and no Fejér-monotonicity convergence lemma. This mission produces those pieces and a complete convergence proof for a first-order VI method, which are reusable for projected gradient, forward–backward, extragradient and reflected-gradient analyses.

Difficulty

The naive approach, to show that ∥zk−z∗∥\|z^k-z^*\|∥zk−z∗∥ decreases, fails: GRAAL is not Fejér monotone in zkz^kzk, because the forward step is taken from the average zˉk\bar z^kzˉk and uses F(zk)F(z^k)F(zk) rather than FFF at the new point. The quantity that decreases is an energy mixing ∥zˉk−z∗∥2\|\bar z^k-z^*\|^2∥zˉk−z∗∥2 with the successive difference ∥zk−zk−1∥2\|z^k-z^{k-1}\|^2∥zk−zk−1∥2, and both the averaging identity and the Lipschitz estimate must produce matching coefficients for the cross terms to cancel. The energy inequality alone gives only boundedness and vanishing successive differences; convergence of the whole sequence, and the fact that the limit solves (1) when ggg is merely lower semicontinuous and extended-valued, is a separate step. On the formal side, ggg takes the value +∞+\infty+∞, so the prox-inequality and the variational inequality must be handled in extended arithmetic without letting ∞−∞\infty-\infty∞−∞ decide anything.

Formalization scope

  • E\mathcal EE is a type E with [NormedAddCommGroup E] [InnerProductSpace ℝ E] [FiniteDimensional ℝ E].
  • ggg is E → EReal. (C2) is IsProperConvexLSC g: never ⊥\bot⊥, somewhere finite, convex epigraph {(x,t)∈E×R:g(x)≤t}\{(x,t)\in E\times\mathbb R: g(x)\le t\}{(x,t)∈E×R:g(x)≤t}, and LowerSemicontinuous g on all of E. dom⁡g\operatorname{dom} gdomg is effDom g = {x | g x ≠ ⊤}.
  • FFF is a total function E → E; monotonicity and the Lipschitz bound ∥F(u)−F(v)∥≤L∥u−v∥\|F(u)-F(v)\|\le L\|u-v\|∥F(u)−F(v)∥≤L∥u−v∥ are required on effDom g only. The step range is 0 < λ, λ ≤ φ / (2 * L) with 0 < L and φ = Real.goldenRatio.
  • SSS is solutionSet g F: points of effDom g satisfying (1) for every z∈Ez\in Ez∈E, evaluated in EReal.
  • The proximal step is the argmin predicate IsProxPoint (fun x => λ * g x) w z⁺, not a choice function, so no junk value is involved. A run of (6) is IsGRAALRun g F λ z zbar on sequences ℕ → E indexed as in the paper: z1z^1z1 and zˉ0\bar z^0zˉ0 are free and the entry z0z^0z0 is unused.
  • The conclusion is ∃ zs ∈ solutionSet g F, Tendsto z atTop (𝓝 zs) ∧ Tendsto zbar atTop (𝓝 zs).

The hypotheses of the goal are jointly satisfiable, so the theorem is not vacuous: for g≡0g\equiv0g≡0 and F≡0F\equiv0F≡0 every point is a solution and constant sequences form a run of (6); a formalization under which IsGRAALRun has no instances, or in which SSS may be empty, is ruled out. Two hypotheses are added to printed statements and flagged in their notes: C≠∅C\neq\emptysetC=∅ in Lemma 1, which is false without it, and z1∈dom⁡gz^1\in\operatorname{dom} gz1∈domg in Eq. (14), needed at k=2k=2k=2 because the paper's FFF is only defined on dom⁡g\operatorname{dom} gdomg.

Welcome contributions: existence and uniqueness of the proximal point of a proper convex lsc function in finite dimensions; the prox-inequality; Fejér-monotonicity lemmas; the energy inequality; and the final convergence argument. The prox and Fejér infrastructure is independent of the golden ratio and is shared with the second mission of this series.

Selected references

  • Y. Malitsky, Golden Ratio Algorithms for Variational Inequalities, preprint, Optimization Online 6598, 2018. https://optimization-online.org/wp-content/uploads/2018/05/6598.pdf ; published in Mathematical Programming. https://doi.org/10.1007/s10107-019-01416-w
  • H. H. Bauschke, P. L. Combettes, Convex Analysis and Monotone Operator Theory in Hilbert Spaces, Springer, 2011 (2nd ed. 2017). https://doi.org/10.1007/978-3-319-48311-5
  • G. M. Korpelevich, The extragradient method for finding saddle points and other problems, Ekonomika i Matematicheskie Metody 12 (1976) 747–756.
  • P. Tseng, A modified forward–backward splitting method for maximal monotone mappings, SIAM J. Control Optim. 38 (2000) 431–446. https://doi.org/10.1137/S0363012998338806
  • Y. Malitsky, Projected reflected gradient methods for monotone variational inequalities, SIAM J. Optim. 25 (2015) 502–520. https://doi.org/10.1137/14097238X
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Operations ResearchOptimization·Captain: mikedeng1

Pattern Search Algorithms for Bound Constrained Minimization: Generalized Pattern Search Drives the Projected Stationarity Measure to ZeroResearch Paper

Motivation

Pattern search methods minimize a function f:Rn→Rf:\mathbb R^n\to\mathbb Rf:Rn→R by comparing values of fff at points of a structured set of trial points, without evaluating or approximating derivatives. Coordinate search and the method of Hooke and Jeeves (Hooke–Jeeves 1961) are the classical members of the family. Such methods remain in use when derivatives are unavailable, unreliable or expensive, for instance when fff is the output of a simulation, and practical problems of this kind usually carry simple bounds on the variables.

Torczon (SIAM J. Optim. 1997) gave a global convergence theory for pattern search on unconstrained problems: under compactness of the level set and continuous differentiability of fff, lim inf⁡k∥∇f(xk)∥=0\liminf_k\|\nabla f(x_k)\|=0liminfk​∥∇f(xk​)∥=0, and under stronger hypotheses lim⁡k∥∇f(xk)∥=0\lim_k\|\nabla f(x_k)\|=0limk​∥∇f(xk​)∥=0. Lewis and Torczon extended this theory to bound constrained problems (ICASE Report 96-20, 1996; SIAM J. Optim. 1999). The extension is not automatic: the paper exhibits a pattern search method for unconstrained problems (Box's evolutionary operation with factorial designs) that fails on bound constrained ones, and identifies the structural condition on the pattern that restores convergence.

Timeline.

  • 1961: Hooke and Jeeves introduce "direct search" pattern methods.
  • 1987–1988: Calamai and Moré (Math. Program. 1987) and Conn, Gould and Toint (SIAM J. Numer. Anal. 1988) develop the projected-gradient stationarity theory for bound and linear constraints, for methods that use derivatives.
  • 1997: Torczon proves global convergence of generalized pattern search for unconstrained problems.
  • 1996/1999: Lewis and Torczon prove the bound constrained theory formalized here.

Setting

The problem is

min⁡f(x)subject toℓ≤x≤u,\min f(x)\quad\text{subject to}\quad \ell\le x\le u,minf(x)subject toℓ≤x≤u,

with ℓ,u\ell,uℓ,u vectors of extended reals and ℓj<uj\ell_j<u_jℓj​<uj​ for every jjj; ℓj=−∞\ell_j=-\inftyℓj​=−∞ or uj=+∞u_j=+\inftyuj​=+∞ is allowed. The feasible region is Ω={x:ℓ≤x≤u}\Omega=\{x:\ell\le x\le u\}Ω={x:ℓ≤x≤u}, PPP is the coordinatewise projection onto Ω\OmegaΩ, g=∇fg=\nabla fg=∇f, and LΩ(y)={x∈Ω:f(x)≤f(y)}L_\Omega(y)=\{x\in\Omega:f(x)\le f(y)\}LΩ​(y)={x∈Ω:f(x)≤f(y)} is the feasible level set. A stationary point is an x∈Ωx\in\Omegax∈Ω with ⟨g(x),z−x⟩≥0\langle g(x),z-x\rangle\ge0⟨g(x),z−x⟩≥0 for all z∈Ωz\in\Omegaz∈Ω. The stationarity measure is

q(x)=P(x−g(x))−x,q(x)=P\bigl(x-g(x)\bigr)-x,q(x)=P(x−g(x))−x,

which vanishes exactly at stationary points.

A generalized pattern search method is fixed by a nonsingular basis matrix B∈Rn×nB\in\mathbb R^{n\times n}B∈Rn×n, a finite set M\mathcal MM of nonsingular integer matrices, a rational τ>1\tau>1τ>1, an integer w0<0w_0<0w0​<0 and nonnegative integers w1,…,wLw_1,\dots,w_Lw1​,…,wL​. At iteration kkk the generating matrix is Ck=[Mk  −Mk  Lk]=[Γk  Lk]C_k=[M_k\ \ {-M_k}\ \ L_k]=[\Gamma_k\ \ L_k]Ck​=[Mk​  −Mk​  Lk​]=[Γk​  Lk​] with Mk∈MM_k\in\mathcal MMk​∈M, LkL_kLk​ an integer matrix containing a zero column, and BMkBM_kBMk​ diagonal. A trial step is ΔkBc\Delta_kBcΔk​Bc for a column ccc of CkC_kCk​. The step sks_ksk​ is a trial step with xk+sk∈Ωx_k+s_k\in\Omegaxk​+sk​∈Ω, and it must decrease fff whenever some feasible trial step from the core ΔkBΓk\Delta_kB\Gamma_kΔk​BΓk​ does. The iterate moves, xk+1=xk+skx_{k+1}=x_k+s_kxk+1​=xk​+sk​, exactly when f(xk+sk)<f(xk)f(x_k+s_k)<f(x_k)f(xk​+sk​)<f(xk​). The step length Δk\Delta_kΔk​ is multiplied by θ=τw0<1\theta=\tau^{w_0}<1θ=τw0​<1 after an unsuccessful iteration and by some τwi≥1\tau^{w_i}\ge1τwi​≥1 after a successful one. The Strong Hypotheses additionally require f(xk+sk)f(x_k+s_k)f(xk​+sk​) to be no larger than the best feasible core trial value whenever that value is below f(xk)f(x_k)f(xk​).

Formalization targets

Goal: Theorem 3.3

If LΩ(x0)L_\Omega(x_0)LΩ​(x0​) is compact, fff is continuously differentiable, the columns of the CkC_kCk​ are uniformly bounded, Δk→0\Delta_k\to0Δk​→0, and the Strong Hypotheses hold, then

lim⁡k→∞∥q(xk)∥=0.\lim_{k\to\infty}\|q(x_k)\|=0 .k→∞lim​∥q(xk​)∥=0.

Milestones

  • Lemma 2.1, Theorem 2.2, Lemma 2.3: the unconstrained results the paper recalls from Torczon (1997): nonzero steps have length at least ζ∗Δk\zeta_*\Delta_kζ∗​Δk​; the iterates lie on the translated lattice x0+βrLBα−rUBΔ0B Znx_0+\beta^{r_{LB}}\alpha^{-r_{UB}}\Delta_0B\,\mathbb Z^nx0​+βrLB​α−rUB​Δ0​BZn (with τ=β/α\tau=\beta/\alphaτ=β/α); bounded columns give Δk≥ψ∗∥ski∥\Delta_k\ge\psi_*\|s_k^i\|Δk​≥ψ∗​∥ski​∥.
  • Proposition 3.1 (6), (8): ∥q(x)∥≤∥g(x)∥\|q(x)\|\le\|g(x)\|∥q(x)∥≤∥g(x)∥, and xxx is stationary iff q(x)=0q(x)=0q(x)=0.
  • All iterates lie in LΩ(x0)L_\Omega(x_0)LΩ​(x0​) (§4, p. 10).
  • Propositions 4.1–4.3: a descent estimate along short steep directions; a feasible core step with gkTs≤−n−1/2∥qk∥∥s∥g_k^Ts\le-n^{-1/2}\|q_k\|\|s\|gkT​s≤−n−1/2∥qk​∥∥s∥ whenever qk≠0q_k\ne0qk​=0 and the step length is small; a uniform δ\deltaδ (and, under the Strong Hypotheses, a σ\sigmaσ) with f(xk+1)≤f(xk)−σ∥q(xk)∥∥sk∥f(x_{k+1})\le f(x_k)-\sigma\|q(x_k)\|\|s_k\|f(xk+1​)≤f(xk​)−σ∥q(xk​)∥∥sk​∥ when Δk<δ\Delta_k<\deltaΔk​<δ and ∥q(xk)∥>η\|q(x_k)\|>\eta∥q(xk​)∥>η.
  • Corollary 4.4 and Theorem 4.5: lim inf⁡∥q(xk)∥≠0\liminf\|q(x_k)\|\ne0liminf∥q(xk​)∥=0 keeps Δk\Delta_kΔk​ bounded away from zero, whereas compactness alone forces lim inf⁡Δk=0\liminf\Delta_k=0liminfΔk​=0.
  • Theorem 3.2: lim inf⁡k∥q(xk)∥=0\liminf_k\|q(x_k)\|=0liminfk​∥q(xk​)∥=0.

Significance

Theorem 3.2 shows that a method which never computes a gradient still has a subsequence approaching first-order stationarity for the bound constrained problem, even though it cannot enforce a sufficient decrease condition measured by the projected gradient. Theorem 3.3 upgrades this to the whole sequence, so every limit point of the iterates is a KKT point. These results justify the bound constrained variants of coordinate search and Hooke–Jeeves discussed in §5 of the paper, and they are the template for the later theory of pattern search under linear constraints and generating set search.

The results are proved in the paper, and three of the milestones are proved in Torczon (1997). None of them has a machine-checked proof. Formalizing them produces a Lean model of generalized pattern search (patterns, exploratory moves, step-length updates) that later missions on direct search, mesh adaptive direct search or linearly constrained pattern search can reuse, and checks the details the paper handles briefly: the lattice argument, the feasibility of the chosen coordinate step, and uniform constants.

Difficulty

The obvious argument copies the unconstrained proof with ∇f\nabla f∇f replaced by qqq. The step that fails is the existence of a good trial step: in the unconstrained case some pattern direction makes an acute angle with −∇f(xk)-\nabla f(x_k)−∇f(xk​), but near the boundary of Ω\OmegaΩ that direction may leave the feasible region, and a feasible direction may not be a descent direction. For a general pattern no uniform choice exists, and the paper's counterexample in §5.2 shows convergence can fail. The diagonality of BMkBM_kBMk​ is what makes the pattern contain coordinate directions, one of which is both feasible and a descent direction of quality n−1/2∥qk∥n^{-1/2}\|q_k\|n−1/2∥qk​∥ (Proposition 4.2). The second difficulty is Theorem 4.5, which uses no derivatives: it rests on the rationality of τ\tauτ and the integrality of the CkC_kCk​, which confine the iterates to a lattice that meets the compact set LΩ(x0)L_\Omega(x_0)LΩ​(x0​) in finitely many points.

Formalization scope

Points are EuclideanSpace ℝ (Fin n) with the Euclidean norm; the bounds are Fin n → EReal with the hypothesis ℓj<uj\ell_j<u_jℓj​<uj​ for all jjj, so infinite bounds are allowed as in the paper. Paper coordinates 1,…,n1,\dots,n1,…,n are Lean's Fin n. The gradient is Mathlib's gradient f. A run of the method is a structure of sequences (xk,Δk,sk,Mk,Lk)(x_k,\Delta_k,s_k,M_k,L_k)(xk​,Δk​,sk​,Mk​,Lk​) together with a predicate IsGPSRun that encodes §2.1–§2.4 clause by clause; the parameter m≥1m\ge1m≥1 is the number of columns of LkL_kLk​ (the paper's p−2np-2np−2n). τ\tauτ is rational and the CkC_kCk​ are integer matrices, as the lattice argument requires. "min⁡{f(xk+y):… }<f(xk)\min\{f(x_k+y):\dots\}<f(x_k)min{f(xk​+y):…}<f(xk​)" over the finite set of feasible core trial points is encoded as "some feasible core trial step strictly decreases fff". lim inf⁡\liminfliminf statements are encoded with ∃ᶠ, not Filter.liminf. The modulus of continuity ω\omegaω is not formed as a real supremum; Proposition 4.1 takes an explicit radius δ>∥d∥\delta>\|d\|δ>∥d∥.

Standing assumptions and every departure from the page:

  1. Smoothness. The page assumes fff continuously differentiable on LΩ(x0)L_\Omega(x_0)LΩ​(x0​). The mission assumes fff is C1C^1C1 on an open set U⊇ΩU\supseteq\OmegaU⊇Ω. The proofs evaluate ∇f\nabla f∇f along segments to trial points that lie in Ω\OmegaΩ but generally outside LΩ(x0)L_\Omega(x_0)LΩ​(x0​), and LΩ(x0)L_\Omega(x_0)LΩ​(x0​) may have empty interior, so the page's hypothesis does not define what the proofs use.
  2. Strong Hypothesis 3. The page prints f(xk+sk)<min⁡{⋯ }f(x_k+s_k)<\min\{\cdots\}f(xk​+sk​)<min{⋯}. No core step can satisfy the strict form, which would exclude coordinate search, which the paper says satisfies it. The mission uses ≤\le≤, the form of Torczon (1997) and the one the proof of Proposition 4.3 uses. The theorem with ≤\le≤ implies the one with <<<.
  3. The nonemptiness of {w1,…,wL}\{w_1,\dots,w_L\}{w1​,…,wL​} is made explicit.
  4. Proposition 3.1 (7) is omitted: its P(g(x))P(g(x))P(g(x)) is a projected gradient the paper does not define.
  5. Proposition 4.2 quantifies over every step length below νk\nu_kνk​, because νk\nu_kνk​ does not depend on Δk\Delta_kΔk​.

The run predicate is not vacuous: an explicit run of coordinate search on f(x)=xf(x)=xf(x)=x over [0,∞)[0,\infty)[0,∞) satisfies IsGPSRun, the Strong Hypotheses, bounded columns, Δk→0\Delta_k\to0Δk​→0 and compactness of LΩ(x0)L_\Omega(x_0)LΩ​(x0​). That check is proved in Lean without sorry, so the goal cannot be closed by exhibiting an unsatisfiable hypothesis.

A complete development needs the mean value theorem along segments, uniform continuity of ∇f\nabla f∇f near the compact set LΩ(x0)L_\Omega(x_0)LΩ​(x0​), finiteness of a discrete lattice inside a compact set, and elementary facts about the coordinatewise projection. The projection and lattice lemmas are reusable beyond this mission. Proofs of any milestone, alternative proofs, and a general statement of Proposition 3.1 for closed convex Ω\OmegaΩ are welcome.

Selected references

  • R. M. Lewis and V. Torczon, Pattern Search Algorithms for Bound Constrained Minimization, ICASE Report No. 96-20 (NASA CR-198306), 1996; SIAM J. Optim. 9(4):1082–1099, 1999. https://doi.org/10.1137/S1052623496300507
  • V. Torczon, On the Convergence of Pattern Search Algorithms, SIAM J. Optim. 7(1):1–25, 1997. https://doi.org/10.1137/S1052623493250780
  • P. H. Calamai and J. J. Moré, Projected Gradient Methods for Linearly Constrained Problems, Math. Program. 39:93–116, 1987. https://doi.org/10.1007/BF02592073
  • A. R. Conn, N. I. M. Gould and P. L. Toint, Global Convergence of a Class of Trust Region Algorithms for Optimization with Simple Bounds, SIAM J. Numer. Anal. 25(2):433–460, 1988. https://doi.org/10.1137/0725029
  • R. Hooke and T. A. Jeeves, "Direct Search" Solution of Numerical and Statistical Problems, J. ACM 8(2):212–229, 1961. https://doi.org/10.1145/321062.321069
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Convex OptimizationMachine LearningOptimization·Captain: mikedeng1

Proximal Newton-Type Methods for Minimizing Composite Functions II: Local Linear and Superlinear Convergence of the Inexact Proximal Newton MethodResearch Paper

Motivation

Many estimation problems in statistics, signal processing and bioinformatics minimize a composite function f=g+hf = g + hf=g+h: a smooth convex loss ggg plus a convex but nonsmooth penalty or constraint hhh, such as the lasso's ℓ1\ell_1ℓ1​ norm or the indicator of a convex set. Proximal Newton-type methods handle such problems by minimizing, at each iterate xkx_kxk​, a model f^k=g^k+h\hat f_k = \hat g_k + hf^​k​=g^​k​+h in which ggg is replaced by its second-order Taylor expansion. Widely used solvers of this kind (glmnet, newGLMNET, QUIC) never solve these model subproblems exactly; they stop an inner iterative solver early by some heuristic. Lee, Sun and Saunders (arXiv:1206.1623v13, 2014) proposed an adaptive stopping rule for the inner solver and proved that it preserves fast local convergence. This mission formalizes that local convergence theory (§3.4 of the paper).

Timeline:

  • 1982: Dembo, Eisenstat and Steihaug introduce inexact Newton methods for smooth equations and prove local linear and superlinear convergence under a relative-residual condition with forcing terms ηk\eta_kηk​ (doi:10.1137/0719025).
  • 1996: Eisenstat and Walker propose self-adjusting forcing terms that avoid oversolving (doi:10.1137/0917003).
  • 2012–2014: Lee, Sun and Saunders transfer the relative-residual condition to composite functions, replacing gradients by composite gradient steps, and prove Theorems 3.10 and 3.11.
  • 2016: Byrd, Nocedal and Oztoprak analyze inexact proximal Newton methods for ℓ1\ell_1ℓ1​-regularized problems under an additional sufficient-descent condition on the subproblem (doi:10.1007/s10107-015-0941-y).

Setting

Work in Rn\mathbb R^nRn with the Euclidean inner product. The smooth part g:Rn→Rg:\mathbb R^n\to\mathbb Rg:Rn→R is twice continuously differentiable and strongly convex with constant m>0m>0m>0: g(y)≥g(x)+∇g(x)T(y−x)+m2∥x−y∥2g(y)\ge g(x)+\nabla g(x)^T(y-x)+\frac m2\|x-y\|^2g(y)≥g(x)+∇g(x)T(y−x)+2m​∥x−y∥2 for all x,yx,yx,y. Its gradient ∇g\nabla g∇g is Lipschitz with constant L1L_1L1​, its Hessian ∇2g\nabla^2 g∇2g is Lipschitz with constant L2L_2L2​, and ∇2g(x)⪯MI\nabla^2 g(x)\preceq MI∇2g(x)⪯MI for a constant M>0M>0M>0. The nonsmooth part hhh is proper, closed and convex, and may take the value +∞+\infty+∞; it is given by its domain DDD and its values on DDD. The problem is min⁡xf(x)=g(x)+h(x)\min_x f(x)=g(x)+h(x)minx​f(x)=g(x)+h(x), and x⋆x^\starx⋆ denotes its (unique) optimal solution.

The proximal mapping of hhh is prox⁡h(v)=arg⁡min⁡yh(y)+12∥y−v∥2\operatorname{prox}_h(v)=\arg\min_y h(y)+\frac12\|y-v\|^2proxh​(v)=argminy​h(y)+21​∥y−v∥2. The composite gradient step with step length t>0t>0t>0 is

Gtf(x)=1t(x−prox⁡th(x−t∇g(x))),G_{tf}(x)=\tfrac1t\big(x-\operatorname{prox}_{th}(x-t\nabla g(x))\big),Gtf​(x)=t1​(x−proxth​(x−t∇g(x))),

with Gf=G1fG_f=G_{1f}Gf​=G1f​; it vanishes exactly at minimizers of fff and plays the role of the gradient. The step Gf/MG_{f/M}Gf/M​ is the unit step on f/M=g/M+h/Mf/M=g/M+h/Mf/M=g/M+h/M. The model at xkx_kxk​ is f^k=g^k+h\hat f_k=\hat g_k+hf^​k​=g^​k​+h with g^k(y)=g(xk)+∇g(xk)T(y−xk)+12(y−xk)T∇2g(xk)(y−xk)\hat g_k(y)=g(x_k)+\nabla g(x_k)^T(y-x_k)+\frac12(y-x_k)^T\nabla^2 g(x_k)(y-x_k)g^​k​(y)=g(xk​)+∇g(xk​)T(y−xk​)+21​(y−xk​)T∇2g(xk​)(y−xk​).

The inexact proximal Newton method with unit step lengths produces xk+1=xk+Δxkx_{k+1}=x_k+\Delta x_kxk+1​=xk​+Δxk​, where the direction Δxk\Delta x_kΔxk​ is any point satisfying the adaptive stopping condition

∥Gf^k/M(xk+Δxk)∥≤ηk ∥Gf/M(xk)∥(2.24)\|G_{\hat f_k/M}(x_k+\Delta x_k)\|\le\eta_k\,\|G_{f/M}(x_k)\|\qquad(2.24)∥Gf^​k​/M​(xk​+Δxk​)∥≤ηk​∥Gf/M​(xk​)∥(2.24)

for a forcing term ηk≥0\eta_k\ge0ηk​≥0. The Eisenstat–Walker choice is

ηk=min⁡{m2, ∥Gf^k−1/M(xk)−Gf/M(xk)∥∥Gf/M(xk−1)∥}.(2.25)\eta_k=\min\Big\{\frac m2,\ \frac{\|G_{\hat f_{k-1}/M}(x_k)-G_{f/M}(x_k)\|}{\|G_{f/M}(x_{k-1})\|}\Big\}.\qquad(2.25)ηk​=min{2m​, ∥Gf/M​(xk−1​)∥∥Gf^​k−1​/M​(xk​)−Gf/M​(xk​)∥​}.(2.25)

Formalization targets

Goal: Theorem 3.10 (p. 17)

  1. There are ηˉ∈(0,m/2)\bar\eta\in(0,m/2)ηˉ​∈(0,m/2), δ>0\delta>0δ>0 and r∈[0,1)r\in[0,1)r∈[0,1) such that, whenever 0≤ηk≤ηˉ0\le\eta_k\le\bar\eta0≤ηk​≤ηˉ​ for all kkk and ∥x0−x⋆∥<δ\|x_0-x^\star\|<\delta∥x0​−x⋆∥<δ,
∥xk+1−x⋆∥≤r ∥xk−x⋆∥for all k.\|x_{k+1}-x^\star\|\le r\,\|x_k-x^\star\|\quad\text{for all }k.∥xk+1​−x⋆∥≤r∥xk​−x⋆∥for all k.
  1. For every forcing sequence with ηk≥0\eta_k\ge0ηk​≥0, ηk→0\eta_k\to0ηk​→0, there is δ>0\delta>0δ>0 such that every run with ∥x0−x⋆∥<δ\|x_0-x^\star\|<\delta∥x0​−x⋆∥<δ converges to x⋆x^\starx⋆ q-superlinearly: for every ε>0\varepsilon>0ε>0, eventually ∥xk+1−x⋆∥≤ε∥xk−x⋆∥\|x_{k+1}-x^\star\|\le\varepsilon\|x_k-x^\star\|∥xk+1​−x⋆∥≤ε∥xk​−x⋆∥.

Both parts are asserted together. The statement fixes no constant beyond the existence of ηˉ\bar\etaηˉ​, δ\deltaδ and rrr.

Milestones

  • §2.1, property 3: Gf(x)=0G_f(x)=0Gf​(x)=0 if and only if xxx minimizes fff.
  • Lemma 2.2: ∥Gf(x)∥≤(L1+1)∥x−x⋆∥\|G_f(x)\|\le(L_1+1)\|x-x^\star\|∥Gf​(x)∥≤(L1​+1)∥x−x⋆∥.
  • Lemma 3.8: ∥Gf(x)−Gf^k(x)∥≤L22∥x−xk∥2\|G_f(x)-G_{\hat f_k}(x)\|\le\frac{L_2}2\|x-x_k\|^2∥Gf​(x)−Gf^​k​​(x)∥≤2L2​​∥x−xk​∥2.
  • Lemma 3.9: (x−y)T(Gtf(x)−Gtf(y))≥m2∥x−y∥2(x-y)^T(G_{tf}(x)-G_{tf}(y))\ge\frac m2\|x-y\|^2(x−y)T(Gtf​(x)−Gtf​(y))≥2m​∥x−y∥2 for 0<t≤1/L10<t\le1/L_10<t≤1/L1​.
  • Theorem 3.11: with the forcing terms (2.25), the method converges q-superlinearly from every start sufficiently close to x⋆x^\starx⋆.

Significance

Theorem 3.10 justifies stopping the inner solver of a proximal Newton method at a relative accuracy that is set by the current optimality measure ∥Gf/M(xk)∥\|G_{f/M}(x_k)\|∥Gf/M​(xk​)∥: a constant small forcing term keeps linear convergence, and forcing terms that decay to zero recover superlinear convergence, with no sufficient-descent condition on the subproblem and for a generic nonsmooth hhh. Theorem 3.11 shows that the self-adjusting choice (2.25) achieves the superlinear regime automatically. Together they are the composite analogue of the inexact Newton theory used in most large-scale smooth solvers.

The results are proved in the paper. No machine-checked proof of any of them is known, and the platform contains no proximal mapping, composite gradient step or inexact Newton condition. A formalization adds a checked proximal-operator toolkit (existence and nonexpansiveness of prox⁡\operatorname{prox}prox, the optimality characterization of GfG_fGf​, strong monotonicity of GtfG_{tf}Gtf​) and a precise form of the theorem: the paper's proofs mix two scalings of the composite step and cite a lemma where another is meant, so the formal proof settles which constants are valid.

Difficulty

The obvious argument compares the inexact step with the exact proximal Newton step and treats the gap as a perturbation. For composite functions this fails: the exact step is defined by a nonsmooth inclusion, and the stopping condition bounds a residual of the model's composite gradient step, not the distance to the model's minimizer. The link between the two is strong monotonicity of the composite gradient step (Lemma 3.9), which requires controlling the proximal mapping of a general closed convex hhh jointly with the curvature of ggg; for h=0h=0h=0 it is immediate, and for general hhh it is the central step. A second difficulty is that the threshold on ηk\eta_kηk​ is not scale invariant: a threshold below m/2m/2m/2 chosen arbitrarily does not give convergence, so the admissible ηˉ\bar\etaηˉ​ has to come out of the analysis.

Formalization scope

The space is EuclideanSpace ℝ (Fin n). The nonsmooth part is a pair (D,h)(D,h)(D,h): DDD nonempty and convex, hhh convex on DDD, and the extended function (hhh on DDD, +∞+\infty+∞ off DDD) lower semicontinuous; indicator functions of closed convex sets are included. The proximal mapping is a total function chosen among the minimizers over DDD, which exist uniquely under these hypotheses. Gf/MG_{f/M}Gf/M​, Gf^k/MG_{\hat f_k/M}Gf^​k​/M​ and GtfG_{tf}Gtf​ are functions of the split (g,D,h)(g,D,h)(g,D,h) and a scalar, never of fff alone. The Hessian is the derivative of the gradient map, measured in operator norm. Sequences are indexed from k=0k=0k=0; a run requires x0∈Dx_0\in Dx0​∈D and xk+Δxk∈Dx_k+\Delta x_k\in Dxk​+Δxk​∈D. Rates are stated without quotients.

"x0x_0x0​ sufficiently close to x⋆x^\starx⋆" is an existential radius chosen before the run; assuming xk→x⋆x_k\to x^\starxk​→x⋆, letting the radius depend on the run, or reading part 1 as "for every ηˉ<m/2\bar\eta<m/2ηˉ​<m/2" (which is false: g(x)=2x2g(x)=2x^2g(x)=2x2, h=0h=0h=0, ηk≡32\eta_k\equiv\frac32ηk​≡23​ diverges) are ruled out. The forcing sequence of Theorem 3.10 is fixed in advance; that of Theorem 3.11 depends on the iterates through (2.25), with a free first term η0∈[0,m/2]\eta_0\in[0,m/2]η0​∈[0,m/2].

A complete development needs existence, uniqueness and firm nonexpansiveness of the proximal mapping of an extended-valued closed convex function, the subgradient characterization of prox⁡\operatorname{prox}prox, and a second-order Taylor bound for C2C^2C2 functions with Lipschitz Hessian. These are reusable well beyond this mission. Contributions of any of them, of the milestones, or of alternative proofs of Lemma 3.9 are welcome.

Selected references

  • J. D. Lee, Y. Sun, M. A. Saunders, Proximal Newton-type methods for minimizing composite functions, arXiv:1206.1623v13, 2014; SIAM J. Optim. 24(3), 2014. https://arxiv.org/abs/1206.1623
  • R. S. Dembo, S. C. Eisenstat, T. Steihaug, Inexact Newton methods, SIAM J. Numer. Anal. 19(2), 1982. https://doi.org/10.1137/0719025
  • S. C. Eisenstat, H. F. Walker, Choosing the forcing terms in an inexact Newton method, SIAM J. Sci. Comput. 17(1), 1996. https://doi.org/10.1137/0917003
  • R. H. Byrd, J. Nocedal, F. Oztoprak, An inexact successive quadratic approximation method for L-1 regularized optimization, Math. Program. 157, 2016. https://doi.org/10.1007/s10107-015-0941-y
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Proximal Newton-Type Methods for Minimizing Composite Functions I: Proximal Quasi-Newton Methods Converge Q-Superlinearly under the Dennis–Moré CriterionResearch Paper

Motivation

Many estimation problems in statistics, machine learning and signal processing minimize a composite function, the sum of a smooth loss and a convex but nonsmooth regularizer or constraint: the lasso and ℓ1\ell_1ℓ1​-regularized logistic regression, the graphical lasso for sparse inverse covariance estimation, and constrained least squares, where the nonsmooth part is the indicator function of a convex set. First-order proximal gradient methods (ISTA, FISTA, SpaRSA) are the standard tools, and their convergence is at best linear. Practical solvers such as glmnet, newGLMNET and QUIC instead minimize a local quadratic model of the smooth part plus the nonsmooth part at every iteration, and in practice they need far fewer iterations.

Lee, Sun and Saunders (arXiv:1206.1623, SIAM J. Optim. 2014) put these methods into one framework, proximal Newton-type methods, and proved that they inherit the local convergence rates of Newton and quasi-Newton methods for smooth problems. This mission formalizes the exact-subproblem half of their analysis, ending with q-superlinear convergence of proximal quasi-Newton methods whose Hessian approximations satisfy the Dennis–Moré criterion.

Timeline. Dennis and Moré (1974) characterized superlinear convergence of quasi-Newton methods for smooth equations and minimization by what is now called the Dennis–Moré condition. Tseng and Yun (2009) analyzed coordinate gradient descent for composite problems with a scaled quadratic model. Byrd, Nocedal and Oztoprak (2013) studied inexact proximal Newton methods for ℓ1\ell_1ℓ1​-regularized problems. Lee, Sun and Saunders (2012–2014) proved quadratic and superlinear local convergence for a generic closed convex hhh.

Setting

The problem is

min⁡x∈Rnf(x):=g(x)+h(x).(1.1)\min_{x\in\mathbb R^n} f(x) := g(x) + h(x). \qquad (1.1)x∈Rnmin​f(x):=g(x)+h(x).(1.1)

The smooth part g:Rn→Rg:\mathbb R^n\to\mathbb Rg:Rn→R is twice continuously differentiable and strongly convex with constant m>0m>0m>0, meaning g(y)≥g(x)+∇g(x)T(y−x)+m2∥x−y∥2g(y)\ge g(x)+\nabla g(x)^T(y-x)+\tfrac m2\|x-y\|^2g(y)≥g(x)+∇g(x)T(y−x)+2m​∥x−y∥2 for all x,yx,yx,y (Definition 3.2). Its gradient ∇g\nabla g∇g and Hessian ∇2g\nabla^2 g∇2g are Lipschitz continuous with constants L1L_1L1​ and L2L_2L2​. The nonsmooth part hhh is a proper closed convex function that may take the value +∞+\infty+∞. Its effective domain D=dom⁡hD=\operatorname{dom} hD=domh is nonempty and convex, and x⋆x^\starx⋆ denotes the optimal solution of (1.1), which is unique by strong convexity.

At an iterate xkx_kxk​ the method chooses a symmetric positive definite matrix HkH_kHk​ and computes the search direction Δxk\Delta x_kΔxk​, the minimizer of the model subproblem

Δxk=arg⁡min⁡d ∇g(xk)Td+12dTHkd+h(xk+d).(2.9)\Delta x_k=\arg\min_d\ \nabla g(x_k)^Td+\tfrac12 d^TH_kd+h(x_k+d). \qquad (2.9)Δxk​=argdmin​ ∇g(xk​)Td+21​dTHk​d+h(xk​+d).(2.9)

The predicted decrease is λk=∇g(xk)TΔxk+h(xk+Δxk)−h(xk)\lambda_k=\nabla g(x_k)^T\Delta x_k+h(x_k+\Delta x_k)-h(x_k)λk​=∇g(xk​)TΔxk​+h(xk​+Δxk​)−h(xk​). A step length ttt satisfies the sufficient descent condition (2.19) if f(xk+tΔxk)≤f(xk)+αtλkf(x_k+t\Delta x_k)\le f(x_k)+\alpha t\lambda_kf(xk​+tΔxk​)≤f(xk​)+αtλk​ for a fixed α∈(0,12)\alpha\in(0,\tfrac12)α∈(0,21​). A backtracking line search with factor β∈(0,1)\beta\in(0,1)β∈(0,1) takes tk=βjt_k=\beta^{j}tk​=βj for the least j≥0j\ge0j≥0 that passes, so the unit step is tried first. The update is xk+1=xk+tkΔxkx_{k+1}=x_k+t_k\Delta x_kxk+1​=xk​+tk​Δxk​ (Algorithm 1). With Hk=∇2g(xk)H_k=\nabla^2 g(x_k)Hk​=∇2g(xk​) this is the proximal Newton method. With any other choice of HkH_kHk​ it is a proximal quasi-Newton method. The sequence {Hk}\{H_k\}{Hk​} satisfies the Dennis–Moré criterion if

∥(Hk−∇2g(x⋆))(xk+1−xk)∥∥xk+1−xk∥→0.(3.2)\frac{\|(H_k-\nabla^2 g(x^\star))(x_{k+1}-x_k)\|}{\|x_{k+1}-x_k\|}\to0. \qquad (3.2)∥xk+1​−xk​∥∥(Hk​−∇2g(x⋆))(xk+1​−xk​)∥​→0.(3.2)

Formalization targets

Goal: Theorem 3.7

If mI⪯Hk⪯MImI\preceq H_k\preceq MImI⪯Hk​⪯MI for all kkk, with 0<m≤M0<m\le M0<m≤M, and {Hk}\{H_k\}{Hk​} satisfies (3.2), then every run of Algorithm 1 from any x0∈Dx_0\in Dx0​∈D satisfies

xk→x⋆,∥xk+1−x⋆∥=o(∥xk−x⋆∥).x_k\to x^\star,\qquad \|x_{k+1}-x^\star\|=o(\|x_k-x^\star\|).xk​→x⋆,∥xk+1​−x⋆∥=o(∥xk​−x⋆∥).

The goal fixes no rate constant. It asserts only the shape of the convergence.

Milestones

In the order the proof uses them:

  1. Proposition 2.4: λ≤−ΔxTHΔx\lambda\le-\Delta x^TH\Delta xλ≤−ΔxTHΔx and f(x+tΔx)≤f(x)+tλ+O(t2)f(x+t\Delta x)\le f(x)+t\lambda+O(t^2)f(x+tΔx)≤f(x)+tλ+O(t2).
  2. Proposition 2.5: xxx is optimal if and only if Δx=0\Delta x=0Δx=0 at xxx.
  3. Lemma 2.6: every t≤min⁡{1,(2m/L1)(1−α)}t\le\min\{1,(2m/L_1)(1-\alpha)\}t≤min{1,(2m/L1​)(1−α)} satisfies (2.19).
  4. Theorem 3.1 (global convergence), restated under the assumptions of §3.3: xk→x⋆x_k\to x^\starxk​→x⋆.
  5. Lemma 3.3: the proximal Newton method eventually accepts the unit step.
  6. Theorem 3.4: the proximal Newton method converges q-quadratically, with eventually
∥xk+1−x⋆∥≤L22m∥xk−x⋆∥2.\|x_{k+1}-x^\star\|\le\frac{L_2}{2m}\|x_k-x^\star\|^2 .∥xk+1​−x⋆∥≤2mL2​​∥xk​−x⋆∥2.
  1. Lemma 3.5 / A.1: under (3.2) the unit step is eventually accepted.
  2. Proposition 3.6: ∥Δx1−Δx2∥≤(1+θˉ)/m ∥(H2−H1)Δx1∥1/2∥Δx1∥1/2\|\Delta x_1-\Delta x_2\|\le\sqrt{(1+\bar\theta)/m}\,\|(H_2-H_1)\Delta x_1\|^{1/2}\|\Delta x_1\|^{1/2}∥Δx1​−Δx2​∥≤(1+θˉ)/m​∥(H2​−H1​)Δx1​∥1/2∥Δx1​∥1/2, with θˉ\bar\thetaθˉ depending only on the eigenvalue bounds.

Significance

The result. Theorem 3.7 is the composite counterpart of the Dennis–Moré theorem. It says that the rate of a proximal quasi-Newton method is governed by how well HkH_kHk​ approximates the Hessian of the smooth part along the steps actually taken, whatever the nonsmooth part is. It covers proximal BFGS-type methods for ℓ1\ell_1ℓ1​-regularized and constrained problems, and it explains why solvers built on these methods reach high accuracy in few iterations. Theorem 3.4 gives the corresponding quadratic rate when the exact Hessian is used.

Formalizing it. The results are proved in the paper. None of them has a machine-checked proof: the platform currently has Newton's method only for smooth objectives (Boyd–Vandenberghe's quadratic phase in the mission Convex Optimization V: Newton's Method), and nothing on proximal or composite Newton-type methods. The formalization also settles two defects of the printed text. Theorem 3.1 is false as printed, since it lacks an upper bound on HkH_kHk​: with g(x)=x2/2g(x)=x^2/2g(x)=x2/2, h=0h=0h=0 and Hk=2k+1H_k=2^{k+1}Hk​=2k+1 the iterates stall at about 0.289 x00.289\,x_00.289x0​. It is therefore stated here under the assumptions of §3.3. Proposition 3.6 uses an undefined constant m1m_1m1​ (read as mmm), and the first-order inequalities in its printed proof contain a typo. The explicit constant L2/(2m)L_2/(2m)L2​/(2m) in Theorem 3.4 is the one the paper's proof derives.

Difficulty

The difficulty is the nonsmooth part. For smooth ggg the Newton step solves a linear system, and the classical analysis works with that closed form. Here Δxk\Delta x_kΔxk​ is defined only as the minimizer of a nonsmooth subproblem, and every estimate on it has to come from the optimality of that minimizer, i.e. from the firm nonexpansiveness of scaled proximal maps in a norm that changes with HkH_kHk​. A natural first idea is to apply the smooth Dennis–Moré argument to ∇f\nabla f∇f. It fails because fff is not differentiable and may be +∞+\infty+∞ outside DDD. The superlinear rate also depends on the line search eventually accepting the unit step. That acceptance comes only from a third-order Taylor bound combined with (2.15) and the Dennis–Moré residual, and a line search that may return any admissible step does not give it.

Formalization scope

  • Space. The space is EuclideanSpace ℝ (Fin n), and matrices are continuous linear operators. ∇g\nabla g∇g is Mathlib's gradient, and ∇2g\nabla^2 g∇2g is fderiv ℝ (gradient g). "Positive definite" includes symmetry, and mI⪯H⪯MImI\preceq H\preceq MImI⪯H⪯MI is stated through quadratic forms of a symmetric HHH.
  • The nonsmooth part. hhh is encoded by its domain DDD and its values on DDD: DDD is nonempty and convex, hhh is convex on DDD, and the +∞+\infty+∞-extension of hhh is lower semicontinuous. The objective fff is extended-valued. Only comparisons are made in EReal, never arithmetic. Replacing hhh by a real-valued function on all of Rn\mathbb R^nRn would exclude indicator functions and is not the paper's setting.
  • Algorithm. The search direction is a predicate: it minimizes (2.9) over {d:x+d∈D}\{d : x+d\in D\}{d:x+d∈D}. Backtracking is the least-jjj rule with factor β∈(0,1)\beta\in(0,1)β∈(0,1), the convention of Boyd and Vandenberghe, whom the paper cites for its line search. Runs are infinite and indexed from k=0k=0k=0, with no stopping test.
  • Rates. o(⋅)o(\cdot)o(⋅) and (3.2) are stated without quotients: for every ε>0\varepsilon>0ε>0 the inequality holds eventually.
  • Ruling out trivial versions. A line search allowed to return any step satisfying (2.19) would make Theorems 3.4 and 3.7 false. Taking x⋆x^\starx⋆ to be an arbitrary point instead of the minimizer, or letting θˉ\bar\thetaθˉ in Proposition 3.6 depend on the data, would empty the statements. None of these readings is used.
  • Infrastructure. A complete development needs: existence and uniqueness of minimizers of strongly convex, lower semicontinuous extended functions; first-order optimality for the subproblem; firm nonexpansiveness of scaled proximal maps in the HHH-norm; and second- and third-order Taylor bounds from Lipschitz derivatives. These pieces are reusable across proximal methods. Contributions of any milestone, of these supporting lemmas, or of the goal directly are welcome.

Selected references

  • J. D. Lee, Y. Sun, M. A. Saunders, Proximal Newton-type methods for minimizing composite functions, arXiv:1206.1623v13 (2014); SIAM J. Optim. 24(3), 2014. https://arxiv.org/abs/1206.1623
  • J. E. Dennis, J. J. Moré, A characterization of superlinear convergence and its application to quasi-Newton methods, Math. Comp. 28 (1974), 549–560. https://doi.org/10.1090/S0025-5718-1974-0343581-1
  • P. Tseng, S. Yun, A coordinate gradient descent method for nonsmooth separable minimization, Math. Program. 117 (2009), 387–423. https://doi.org/10.1007/s10107-007-0170-0
  • R. H. Byrd, J. Nocedal, F. Oztoprak, An inexact successive quadratic approximation method for convex L-1 regularized optimization, Math. Program. 157 (2016), 375–396; arXiv:1309.3529. https://arxiv.org/abs/1309.3529
  • S. Boyd, L. Vandenberghe, Convex Optimization, Cambridge University Press, 2004. https://web.stanford.edu/~boyd/cvxbook/
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Robust Solutions to Least-Squares Problems with Uncertain Data IV: A Semidefinite Upper Bound on the Linear-Fractional Worst-Case Residual, Exact for Full PerturbationsResearch Paper

Motivation

Least-squares fitting is a standard tool in estimation, identification and data analysis, and its data AAA, bbb are rarely known exactly. El Ghaoui and Lebret (SIAM J. Matrix Anal. Appl. 18(4), 1997) proposed to choose xxx to minimize the worst-case residual over a set of admissible data perturbations. Earlier missions of this series treat unstructured perturbations of [A b][A\ b][A b] and perturbations affine in a parameter vector. §5 of the paper covers a more general model, taken from robust identification (Doyle et al.): the perturbed data depend on an uncertain matrix Δ\DeltaΔ through a linear-fractional transformation. This form covers rational dependence of the data on uncertain parameters, max-norm bounds on independent parameters, and data matrices with some columns known exactly (pp. 1046–1047).

In this generality, deciding whether the worst-case residual is finite is NP-complete, and computing it is NP-hard even when the dependence is affine (§5.3, Lemma 5.1). Theorem 5.2 gives the tractable replacement: a semidefinite program whose value bounds the worst-case residual from above, and equals it when the perturbation is unstructured. The main tool is a structured form of the S-procedure. Robust control uses the same tool, with the scalings SSS and GGG below, to bound the real structured singular value (Fan, Tits and Doyle, 1991).

Setting

Vectors carry the Euclidean norm ∥v∥\|v\|∥v∥. For a matrix XXX, ∥X∥\|X\|∥X∥ is its largest singular value (operator norm between Euclidean spaces). Let D\mathcal DD be a linear subspace of RN×N\mathbb R^{N\times N}RN×N (the perturbation structure), and fix A∈Rn×mA \in \mathbb R^{n\times m}A∈Rn×m, b∈Rnb \in \mathbb R^nb∈Rn, L∈Rn×NL \in \mathbb R^{n\times N}L∈Rn×N, RA∈RN×mR_A \in \mathbb R^{N\times m}RA​∈RN×m, Rb∈RNR_b \in \mathbb R^NRb​∈RN, D∈RN×ND \in \mathbb R^{N\times N}D∈RN×N. For Δ∈D\Delta \in \mathcal DΔ∈D with det⁡(I−DΔ)≠0\det(I - D\Delta) \ne 0det(I−DΔ)=0 the perturbed data are

A(Δ)=A+LΔ(I−DΔ)−1RA,b(Δ)=b+LΔ(I−DΔ)−1Rb.A(\Delta) = A + L\Delta(I - D\Delta)^{-1}R_A, \qquad b(\Delta) = b + L\Delta(I - D\Delta)^{-1}R_b .A(Δ)=A+LΔ(I−DΔ)−1RA​,b(Δ)=b+LΔ(I−DΔ)−1Rb​.

With the normalization ρ=1\rho = 1ρ=1 (the paper's, with no loss of generality), the worst-case residual of x∈Rmx \in \mathbb R^mx∈Rm is

rD(A,b,x)=max⁡Δ∈D, ∥Δ∥≤1∥A(Δ)x−b(Δ)∥r_{\mathcal D}(A,b,x) = \max_{\Delta \in \mathcal D,\ \|\Delta\| \le 1} \|A(\Delta)x - b(\Delta)\|rD​(A,b,x)=Δ∈D, ∥Δ∥≤1max​∥A(Δ)x−b(Δ)∥

if det⁡(I−DΔ)≠0\det(I - D\Delta) \ne 0det(I−DΔ)=0 for every such Δ\DeltaΔ, and +∞+\infty+∞ otherwise (35). The commutant scalings are S={S=ST:SΔ=ΔS ∀Δ∈D}\mathcal S = \{S = S^T : S\Delta = \Delta S\ \forall \Delta \in \mathcal D\}S={S=ST:SΔ=ΔS ∀Δ∈D} and G={G=−GT:GΔ=ΔG ∀Δ∈D}\mathcal G = \{G = -G^T : G\Delta = \Delta G\ \forall \Delta \in \mathcal D\}G={G=−GT:GΔ=ΔG ∀Δ∈D} (37). The SDP constraint is

F(λ,S,G,x)=[ΘAx−bRAx−Rb(Ax−b)T(RAx−Rb)Tλ]≻0,Θ=[λI−LSLT−LSDT+LG−DSLT+GTLTS+DG−GDT−DSDT].(38),(39)\mathcal F(\lambda,S,G,x) = \begin{bmatrix} \Theta & \begin{matrix} Ax - b \\ R_Ax - R_b\end{matrix} \\ \begin{matrix}(Ax-b)^T & (R_Ax - R_b)^T\end{matrix} & \lambda\end{bmatrix} \succ 0, \quad \Theta = \begin{bmatrix} \lambda I - LSL^T & -LSD^T + LG \\ -DSL^T + G^TL^T & S + DG - GD^T - DSD^T\end{bmatrix}. \qquad (38),(39)F(λ,S,G,x)=​Θ(Ax−b)T​(RA​x−Rb​)T​​Ax−bRA​x−Rb​​λ​​≻0,Θ=[λI−LSLT−DSLT+GTLT​−LSDT+LGS+DG−GDT−DSDT​].(38),(39)

Formalization targets

Goal: Theorem 5.2 (corrected)

For all xxx and λ\lambdaλ:

(a)S∈S, G∈G, S≻0, GΔ skew ∀Δ∈D, F(λ,S,G,x)≻0 ⟹ λ>rD(A,b,x);\text{(a)}\quad S \in \mathcal S,\ G \in \mathcal G,\ S \succ 0,\ G\Delta \text{ skew } \forall \Delta \in \mathcal D,\ \mathcal F(\lambda,S,G,x) \succ 0 \ \Longrightarrow\ \lambda > r_{\mathcal D}(A,b,x);(a)S∈S, G∈G, S≻0, GΔ skew ∀Δ∈D, F(λ,S,G,x)≻0 ⟹ λ>rD​(A,b,x); (b)D=RN×N, λ>rD(A,b,x) ⟹ ∃s>0: F(λ,sI,0,x)≻0.\text{(b)}\quad \mathcal D = \mathbb R^{N\times N},\ \lambda > r_{\mathcal D}(A,b,x) \ \Longrightarrow\ \exists s > 0:\ \mathcal F(\lambda, sI, 0, x) \succ 0 .(b)D=RN×N, λ>rD​(A,b,x) ⟹ ∃s>0: F(λ,sI,0,x)≻0.

Part (a) says the value of the SDP inf⁡{λ:(λ,S,G) feasible}\inf\{\lambda : (\lambda, S, G) \text{ feasible}\}inf{λ:(λ,S,G) feasible} (40) is an upper bound on rDr_{\mathcal D}rD​. Part (b) says this upper bound is exact for full perturbations, including the case rD=∞r_{\mathcal D} = \inftyrD​=∞, where (40) is infeasible.

Milestones

  1. Lemma 2.2, both directions: the full-block S-procedure. det⁡(I−T4Δ)≠0\det(I - T_4\Delta) \ne 0det(I−T4​Δ)=0 and T(Δ)⪰0T(\Delta) \succeq 0T(Δ)⪰0 for all ∥Δ∥≤1\|\Delta\| \le 1∥Δ∥≤1 if and only if ∥T4∥<1\|T_4\| < 1∥T4​∥<1 and a one-scalar LMI (10) holds (the "only if" under T2≠0T_2 \ne 0T2​=0 or T3=0T_3 = 0T3​=0).
  2. Lemma 2.3: sufficiency of the scaled LMI for a structured D\mathcal DD, and its strict necessity for D=RN×N\mathcal D = \mathbb R^{N\times N}D=RN×N.
  3. §5.4, p. 1047: λ>rD(A,b,x)\lambda > r_{\mathcal D}(A,b,x)λ>rD​(A,b,x) if and only if a linear-fractional matrix function of Δ\DeltaΔ is positive definite on the structured unit ball.
  4. §5.4, (38)–(39): the certificate (a) in the paper's own words.

Significance

The worst-case residual under linear-fractional uncertainty cannot be computed efficiently unless P = NP. Theorem 5.2 gives an SDP-computable upper bound with an explicit certificate (S,G)(S, G)(S,G). Since xxx enters (38) linearly, the same constraint can also be optimized over xxx (Theorem 5.3, not part of this mission). For D=RN×N\mathcal D = \mathbb R^{N\times N}D=RN×N the bound is exact, which covers the model [A(Δ) b(Δ)]=[A b]+LΔ[RA Rb][A(\Delta)\ b(\Delta)] = [A\ b] + L\Delta[R_A\ R_b][A(Δ) b(Δ)]=[A b]+LΔ[RA​ Rb​] and, as a special case, the unstructured problem of §3.

The results are proved in the paper (the proof of Theorem 5.2 is only indicated, through Appendix C). No machine-checked version of these statements, of Lemma 2.2 or of the structured S-procedure with commutant scalings is known. The formalization also fixes the statements. As printed, Lemma 2.2's "only if", Lemma 2.3 and the upper bound of Theorem 5.2 are each false in a boundary or structural case (see Formalization scope). The corrected forms stated here are the ones the paper's proofs support.

Difficulty

Part (a) reduces to robust positivity of a linear-fractional matrix function, and the difficulty is the inverse (I−DΔ)−1(I - D\Delta)^{-1}(I−DΔ)−1. The certificate is one LMI in which Δ\DeltaΔ does not appear, while the conclusion is about a rational function of Δ\DeltaΔ over a whole structured ball. The certificate also has to guarantee that I−DΔI - D\DeltaI−DΔ is invertible everywhere on that ball, and not only that the residual is small where it is defined. Evaluating F\mathcal FF at a single point does not show this. Part (b) needs a lossless S-procedure in its strict form. The standard (non-strict) S-lemma gives only ⪰\succeq⪰, and the gap between strict and non-strict inequalities is exactly where the printed statements fail. The degenerate case T2=0T_2 = 0T2​=0 is not covered by the S-lemma's regularity condition and has to be handled separately.

Formalization scope

  • Dimensions are Fin n, Fin m, Fin N; D\mathcal DD is a Submodule ℝ (Matrix (Fin N) (Fin N) ℝ), with D=RN×N\mathcal D = \mathbb R^{N\times N}D=RN×N as ⊤. The Euclidean norm is written out, because ‖·‖ on Fin n → ℝ is the sup norm. ∥Δ∥\|\Delta\|∥Δ∥ is the operator norm of Matrix.toEuclideanLin Δ, the largest singular value.
  • λ>rD(A,b,x)\lambda > r_{\mathcal D}(A,b,x)λ>rD​(A,b,x) is the predicate ResidualBelow: every Δ∈D\Delta \in \mathcal DΔ∈D with ∥Δ∥≤1\|\Delta\| \le 1∥Δ∥≤1 has det⁡(I−DΔ)≠0\det(I - D\Delta) \ne 0det(I−DΔ)=0 and residual <λ< \lambda<λ. It is false for every λ\lambdaλ when rD=∞r_{\mathcal D} = \inftyrD​=∞. No real-valued supremum is used, so the ∞\infty∞ branch of (35) cannot turn into a default 000. Matrix inverses are Mathlib's Matrix.inv, and every use carries the determinant condition.
  • ρ=1\rho = 1ρ=1 throughout, as in the paper; general ρ\rhoρ follows by scaling Δ\DeltaΔ.
  • Corrections of the printed statements. (i) (40) must require S≻0S \succ 0S≻0. Without it, N=n=m=1N = n = m = 1N=n=m=1, D=2D = 2D=2, L=1L = 1L=1, A=b=RA=Rb=0A = b = R_A = R_b = 0A=b=RA​=Rb​=0, x=0x = 0x=0, S=−1S = -1S=−1, G=0G = 0G=0 satisfy (38) for every λ>1/3\lambda > 1/3λ>1/3, while rD=∞r_{\mathcal D} = \inftyrD​=∞. (ii) GGG must make GΔG\DeltaGΔ skew-symmetric for every Δ∈D\Delta \in \mathcal DΔ∈D, which is the identity pTGq=0p^TGq = 0pTGq=0 used in the proof of Lemma 2.3. For D=span⁡{I,J}\mathcal D = \operatorname{span}\{I, J\}D=span{I,J}, J=[01−10]J = \begin{bmatrix}0&1\\-1&0\end{bmatrix}J=[0−1​10​], the printed bound certifies λ=3/2\lambda = 3/2λ=3/2 for an instance with worst-case residual 222. The added condition holds automatically when every element of D\mathcal DD is symmetric (e.g. the diagonal structures (36)) and when G=0G = 0G=0 (e.g. D=RN×N\mathcal D = \mathbb R^{N\times N}D=RN×N). (iii) Lemma 2.2's "only if" is stated under T2≠0T_2 \ne 0T2​=0 or T3=0T_3 = 0T3​=0. (iv) Lemma 2.3's necessity is stated in strict form, and its sufficiency concludes T(Δ)≻0T(\Delta) \succ 0T(Δ)≻0.
  • Not stated: "If Θ>0\Theta > 0Θ>0 at the optimum, the upper bound is also exact". The infimum over the strict LMI (38) is not attained, and the paper does not say which limit is meant. Theorem 5.3, Lemma 2.4 and Lemma 5.1 are also not stated.
  • Trivializing encodings ruled out: the goal is not a statement about the value of an infimum (which a junk value could satisfy), and the added hypotheses are satisfiable (for instance S=sIS = sIS=sI, G=0G = 0G=0 for full D\mathcal DD, which part (b) produces).
  • Infrastructure needed: the Schur complement for block matrices (in Mathlib), a lossless S-lemma for two homogeneous quadratic forms in strict and non-strict form (the platform has ConvexOptimization.s_procedure, in a different sign convention), square roots of positive definite matrices that commute with D\mathcal DD, and compactness of the structured unit ball. The S-procedure lemmas are reusable in robust control and trust-region analysis. Proofs of the milestones in any order are welcome.

Selected references

  • L. El Ghaoui and H. Lebret, Robust solutions to least-squares problems with uncertain data, SIAM J. Matrix Anal. Appl. 18(4):1035–1064, 1997. https://doi.org/10.1137/S0895479896298130
  • S. Boyd, L. El Ghaoui, E. Feron and V. Balakrishnan, Linear Matrix Inequalities in System and Control Theory, SIAM, 1994. https://doi.org/10.1137/1.9781611970777
  • M. K. H. Fan, A. L. Tits and J. C. Doyle, Robustness in the presence of mixed parametric uncertainty and unmodeled dynamics, IEEE Trans. Automat. Control 36(1):25–38, 1991. https://doi.org/10.1109/9.62265
  • I. Pólik and T. Terlaky, A survey of the S-lemma, SIAM Review 49(3):371–418, 2007. https://doi.org/10.1137/S003614450444614X
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Robust Solutions to Least-Squares Problems with Uncertain Data III: Structured Robust Least Squares Is Solved Exactly by a Semidefinite ProgramResearch Paper

Motivation

Least squares fits a model Ax≈bAx \approx bAx≈b as if the data (A,b)(A, b)(A,b) were exact. In practice they are measured, rounded or estimated, and the least-squares solution can be very sensitive to such errors. El Ghaoui and Lebret (SIAM J. Matrix Anal. Appl. 18(4), 1997) proposed to treat the errors as deterministic, unknown but bounded, and to choose xxx minimizing the worst-case residual over all admissible data. For unstructured perturbations of [A b][A\ b][A b] bounded in Frobenius norm this leads to a second-order cone program (missions I and II of this series).

In many applications the perturbations have a known structure: a Toeplitz matrix stays Toeplitz, a parameter enters several entries at once, or only some entries are uncertain. An unstructured bound then over-estimates the worst case. The paper's §4 treats perturbations that are affine in a parameter vector δ\deltaδ bounded in Euclidean norm, and shows that the resulting structured robust least-squares (SRLS) problem is still solved exactly, now by a semidefinite program (SDP). This model of uncertainty (an ellipsoid of affinely parametrized data) is the one later adopted as the basic uncertainty set of robust optimization; see Ben-Tal and Nemirovski, Math. Oper. Res. 23(4), 1998.

Setting

Vectors carry the Euclidean norm ∥v∥=vTv\|v\| = \sqrt{v^Tv}∥v∥=vTv​. Given matrices A0,A1,…,Ap∈Rn×mA_0, A_1, \dots, A_p \in \mathbb{R}^{n\times m}A0​,A1​,…,Ap​∈Rn×m and vectors b0,b1,…,bp∈Rnb_0, b_1, \dots, b_p \in \mathbb{R}^nb0​,b1​,…,bp​∈Rn, define for every δ∈Rp\delta \in \mathbb{R}^pδ∈Rp

A(δ)=A0+∑i=1pδiAi,b(δ)=b0+∑i=1pδibi.\mathbf A(\delta) = A_0 + \sum_{i=1}^p \delta_i A_i, \qquad \mathbf b(\delta) = b_0 + \sum_{i=1}^p \delta_i b_i .A(δ)=A0​+i=1∑p​δi​Ai​,b(δ)=b0​+i=1∑p​δi​bi​.

For ρ≥0\rho \ge 0ρ≥0 and x∈Rmx \in \mathbb{R}^mx∈Rm the structured worst-case residual is

rS(A,b,ρ,x)=max⁡∥δ∥≤ρ∥A(δ)x−b(δ)∥,r_S(\mathbf A, \mathbf b, \rho, x) = \max_{\|\delta\| \le \rho} \|\mathbf A(\delta)x - \mathbf b(\delta)\|,rS​(A,b,ρ,x)=∥δ∥≤ρmax​∥A(δ)x−b(δ)∥,

and xxx is an SRLS solution if it minimizes rS(A,b,ρ,⋅)r_S(\mathbf A, \mathbf b, \rho, \cdot)rS​(A,b,ρ,⋅) over Rm\mathbb{R}^mRm. The paper takes ρ=1\rho = 1ρ=1 throughout §4 and writes rS(A,b,x)r_S(\mathbf A, \mathbf b, x)rS​(A,b,x).

For fixed xxx let M(x)=[A1x−b1 ⋯ Apx−bp]∈Rn×pM(x) = [A_1x - b_1\ \cdots\ A_px - b_p] \in \mathbb{R}^{n\times p}M(x)=[A1​x−b1​ ⋯ Ap​x−bp​]∈Rn×p and

F=M(x)TM(x),g=M(x)T(A0x−b0),h=∥A0x−b0∥2.F = M(x)^TM(x), \qquad g = M(x)^T(A_0x - b_0), \qquad h = \|A_0x - b_0\|^2 .F=M(x)TM(x),g=M(x)T(A0​x−b0​),h=∥A0​x−b0​∥2.

Since A(δ)x−b(δ)=(A0x−b0)+M(x)δ\mathbf A(\delta)x - \mathbf b(\delta) = (A_0x - b_0) + M(x)\deltaA(δ)x−b(δ)=(A0​x−b0​)+M(x)δ, the squared residual at δ\deltaδ is the quadratic function h+2gTδ+δTFδh + 2g^T\delta + \delta^TF\deltah+2gTδ+δTFδ. Finally, for scalars λ,τ\lambda, \tauλ,τ,

F(λ,τ)=[λ−τ−h−gT−gτI−F].\mathcal F(\lambda, \tau) = \begin{bmatrix} \lambda - \tau - h & -g^T \\ -g & \tau I - F \end{bmatrix}.F(λ,τ)=[λ−τ−h−g​−gTτI−F​].

Formalization targets

Goal: Theorem 4.2

With p≥1p \ge 1p≥1 and ρ=1\rho = 1ρ=1, consider the SDP in (λ,τ,x)(\lambda, \tau, x)(λ,τ,x)

minimize λsubject to[λ−τ0(A0x−b0)T0τIM(x)TA0x−b0M(x)I]⪰0.(32)\text{minimize } \lambda \quad \text{subject to} \quad \begin{bmatrix} \lambda - \tau & 0 & (A_0x - b_0)^T \\ 0 & \tau I & M(x)^T \\ A_0x - b_0 & M(x) & I \end{bmatrix} \succeq 0. \tag{32}minimize λsubject to​λ−τ0A0​x−b0​​0τIM(x)​(A0​x−b0​)TM(x)TI​​⪰0.(32)

The goal states that (a) for all xxx and λ\lambdaλ, some τ\tauτ makes (λ,τ,x)(\lambda, \tau, x)(λ,τ,x) feasible if and only if rS(A,b,x)2≤λr_S(\mathbf A, \mathbf b, x)^2 \le \lambdarS​(A,b,x)2≤λ; and (b) (λ,τ,x)(\lambda, \tau, x)(λ,τ,x) is optimal for (32) if and only if xxx is an SRLS solution, λ=rS(A,b,x)2\lambda = r_S(\mathbf A, \mathbf b, x)^2λ=rS​(A,b,x)2, and (λ,τ,x)(\lambda, \tau, x)(λ,τ,x) is feasible. This is the precise content of the paper's "the SRLS can be solved by computing an optimal solution of (32)".

Milestones

  1. Lemma 2.1 (S-procedure), in two items: the multiplier condition is sufficient for every ppp; for p=1p = 1p=1 it is also necessary when F1(ζ0)>0F_1(\zeta_0) > 0F1​(ζ0​)>0 for some ζ0\zeta_0ζ0​.
  2. Eq. (28): rS(A,b,x)2=max⁡δTδ≤1[1;δ]T[hgTgF][1;δ]r_S(\mathbf A, \mathbf b, x)^2 = \max_{\delta^T\delta \le 1} [1;\delta]^T \begin{bmatrix} h & g^T \\ g & F\end{bmatrix} [1;\delta]rS​(A,b,x)2=maxδTδ≤1​[1;δ]T[hg​gTF​][1;δ].
  3. Eq. (29): for λ≥0\lambda \ge 0λ≥0, that quadratic form is ≤λ\le \lambda≤λ on the unit ball if and only if F(λ,τ)⪰0\mathcal F(\lambda, \tau) \succeq 0F(λ,τ)⪰0 for some τ\tauτ.
  4. Theorem 4.1, first assertion: rS(A,b,x)2=min⁡{λ:∃τ, F(λ,τ)⪰0}r_S(\mathbf A, \mathbf b, x)^2 = \min\{\lambda : \exists \tau,\ \mathcal F(\lambda, \tau) \succeq 0\}rS​(A,b,x)2=min{λ:∃τ, F(λ,τ)⪰0}, the minimum attained.
  5. §4.2, Schur-complement step: the matrix of (32) is positive semidefinite if and only if F(λ,τ)\mathcal F(\lambda, \tau)F(λ,τ) is.

Significance

The result shows that a min–max problem over a nonconvex worst case (the inner problem maximizes a convex quadratic over a ball) is equivalent to a single convex SDP whose size is linear in nnn, mmm and ppp, and hence solvable in polynomial time by interior-point methods. It covers as special cases the unstructured problem of §3, least squares with uncertainty in selected entries, and Toeplitz or otherwise patterned perturbations. The exactness contrasts with the next section of the paper, where the linear-fractional and ℓ∞\ell_\inftyℓ∞​-bounded versions are in general only bounded from above, or shown NP-hard.

The result is proved in the paper; to the best of current knowledge it has not been formalized. The platform already has the one-constraint S-procedure (ConvexOptimization.s_procedure, proved, in a different sign and block convention); this mission adds the robust least-squares objects, the reduction to the S-procedure, the Schur-complement step, and the optimal-solution correspondence of Theorem 4.2. The worst-case residual and SDP (32) definitions are reusable by later robust-regression missions.

Difficulty

The obvious approach is to compute the inner maximum directly. The function δ↦h+2gTδ+δTFδ\delta \mapsto h + 2g^T\delta + \delta^TF\deltaδ↦h+2gTδ+δTFδ is convex, so its maximum over the unit ball is attained on the boundary, but it is not given by any closed-form expression in general, and maximizing a convex function is not a convex problem. Exactness therefore rests on the lossless S-procedure for one quadratic constraint, a nonconvex duality statement that fails for two or more constraints; the sufficient direction alone only yields an upper bound.

A second point is passing from "for fixed xxx" (Theorem 4.1) to "optimal over xxx" (Theorem 4.2): F(λ,τ)\mathcal F(\lambda, \tau)F(λ,τ) is quadratic in xxx, and only the Schur-complement lift (32) is jointly affine in (λ,τ,x)(\lambda, \tau, x)(λ,τ,x). The correspondence of optimal solutions must then be checked in both directions, including that the optimal λ\lambdaλ is the squared residual and not the residual.

Formalization scope

  • Data are A0 : Matrix (Fin n) (Fin m) ℝ, A : Fin p → Matrix (Fin n) (Fin m) ℝ, b0 : Fin n → ℝ, b : Fin p → Fin n → ℝ; A i is the paper's Ai+1A_{i+1}Ai+1​ (0-based index). Vectors live in Fin k → ℝ with the Euclidean norm written out as ∑ivi2\sqrt{\sum_i v_i^2}∑i​vi2​​, never Mathlib's sup norm.
  • The maximum defining rSr_SrS​ is sSup of the set of attained residuals over the closed ball; for ρ≥0\rho \ge 0ρ≥0 this set is nonempty and bounded, so sSup is the true maximum. The theorems use ρ=1\rho = 1ρ=1, as the paper does; the paper derives general ρ\rhoρ by scaling and that is not stated here.
  • Block matrices are Matrix.fromBlocks in the printed order (scalar block first: Unit ⊕ Fin p; for (32), (Unit ⊕ Fin p) ⊕ Fin n). "⪰0\succeq 0⪰0" is Mathlib's PosSemidef, which includes symmetry; all matrices here are symmetric by construction.
  • p≥1p \ge 1p≥1 is assumed in (29), Theorem 4.1 and Theorem 4.2, although the paper does not state it: for p=0p = 0p=0 the block τI\tau IτI is empty, τ\tauτ is unconstrained, every λ\lambdaλ is feasible and both SDPs lose their meaning. Eq. (28), Lemma 2.1 and the Schur-complement step hold for every ppp and are stated without it.
  • Optimality in (32) is stated as feasibility plus λ≤λ′\lambda \le \lambda'λ≤λ′ for every feasible (λ′,τ′,x′)(\lambda', \tau', x')(λ′,τ′,x′). A formalization that only proves existence of some feasible τ\tauτ, or only an inequality between the optimal values, is weaker than Theorem 4.2 and does not close the goal.
  • Theorem 4.1's second and third assertions (the one-dimensional reformulation (30)–(31) and the worst-case perturbation) are not included: they use the notion "(F,g)(F, g)(F,g)-controllable", which the paper does not define.
  • Useful infrastructure: Mathlib's Schur-complement lemmas (Matrix.PosSemidef.fromBlocks₂₂ and relatives in LinearAlgebra.Matrix.SchurComplement); the platform's ConvexOptimization.s_procedure and ConvexOptimization.single_constraint_quadratic_strong_duality with their definitions ConvexOptimization_quadraticForms, included as reference items. A bridge lemma between the platform's block convention and this mission's is a welcome contribution, as is a general-ρ\rhoρ version.

Selected references

  • L. El Ghaoui and H. Lebret, Robust Solutions to Least-Squares Problems with Uncertain Data, SIAM J. Matrix Anal. Appl. 18(4):1035–1064, 1997. https://doi.org/10.1137/S0895479896298130
  • S. Boyd, L. El Ghaoui, E. Feron and V. Balakrishnan, Linear Matrix Inequalities in System and Control Theory, SIAM, 1994 (the S-procedure, p. 24). https://doi.org/10.1137/1.9781611970777
  • A. Ben-Tal and A. Nemirovski, Robust Convex Optimization, Math. Oper. Res. 23(4):769–805, 1998. https://doi.org/10.1287/moor.23.4.769
  • I. Pólik and T. Terlaky, A Survey of the S-Lemma, SIAM Review 49(3):371–418, 2007. https://doi.org/10.1137/S003614450444614X
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Robust Solutions to Least-Squares Problems with Uncertain Data I: The Worst-Case Residual and Its Unique MinimizerResearch Paper

Motivation

The least-squares (LS) problem min⁡x∥Ax−b∥\min_x \|Ax - b\|minx​∥Ax−b∥ assumes that the data A∈Rn×mA \in \mathbb{R}^{n\times m}A∈Rn×m, b∈Rnb \in \mathbb{R}^nb∈Rn are exact. In applications they rarely are: they come from measurements, from linearizations, or from models with neglected dynamics. A classical response is sensitivity analysis or regularization (Tikhonov), where a weight trades the size of the solution against the fit, and the choice of that weight is left to the user. El Ghaoui and Lebret (SIAM J. Matrix Anal. Appl. 18(4), 1997) take a deterministic view instead: the true data lie in a known ball around (A,b)(A, b)(A,b), and the solution should minimize the residual it can be forced to have in the worst case over that ball. The paper shows that this robust least-squares (RLS) problem is solvable exactly, in the unstructured case by a second-order cone program (SOCP). The same worst-case idea, applied to regression, underlies the later equivalence between robustness and regularization (Xu, Caramanis and Mannor, 2009) and is a standard entry point to robust optimization (Ben-Tal, El Ghaoui and Nemirovski, Robust Optimization, 2009).

This mission formalizes the first main result of the paper, Theorem 3.1: the worst-case residual has a closed form, its minimizer is unique, and minimizing it is an SOCP.

Setting

Vectors carry the Euclidean norm ∥v∥=(∑ivi2)1/2\|v\| = (\sum_i v_i^2)^{1/2}∥v∥=(∑i​vi2​)1/2. For a matrix XXX, ∥X∥F=(∑i,jXij2)1/2\|X\|_F = (\sum_{i,j} X_{ij}^2)^{1/2}∥X∥F​=(∑i,j​Xij2​)1/2 is the Frobenius norm and ∥X∥\|X\|∥X∥ the largest singular value, i.e. the smallest c≥0c \ge 0c≥0 with ∥Xv∥≤c∥v∥\|Xv\| \le c\|v\|∥Xv∥≤c∥v∥ for all vvv.

Fix A∈Rn×mA \in \mathbb{R}^{n\times m}A∈Rn×m and b∈Rnb \in \mathbb{R}^nb∈Rn. A perturbation is a pair ΔA∈Rn×m\Delta A \in \mathbb{R}^{n\times m}ΔA∈Rn×m, Δb∈Rn\Delta b \in \mathbb{R}^nΔb∈Rn, collected in the augmented matrix Δ=[ΔA Δb]∈Rn×(m+1)\Delta = [\Delta A\ \Delta b] \in \mathbb{R}^{n\times(m+1)}Δ=[ΔA Δb]∈Rn×(m+1). For a bound ρ≥0\rho \ge 0ρ≥0 and x∈Rmx \in \mathbb{R}^mx∈Rm, the worst-case residual is (paper, eq. (1))

r(A,b,ρ,x)=max⁡∥[ΔA Δb]∥F≤ρ∥(A+ΔA)x−(b+Δb)∥,r(A,b,\rho,x) = \max_{\|[\Delta A\ \Delta b]\|_F \le \rho} \|(A+\Delta A)x - (b+\Delta b)\|,r(A,b,ρ,x)=∥[ΔA Δb]∥F​≤ρmax​∥(A+ΔA)x−(b+Δb)∥,

and xxx is an RLS solution if it minimizes r(A,b,ρ,⋅)r(A,b,\rho,\cdot)r(A,b,ρ,⋅). The bound constrains the augmented matrix jointly, not ΔA\Delta AΔA and Δb\Delta bΔb separately. The paper normalizes ρ=1\rho = 1ρ=1 and writes r(A,b,x)=r(A,b,1,x)r(A,b,x) = r(A,b,1,x)r(A,b,x)=r(A,b,1,x). Finally, [x;1]∈Rm+1[x;1] \in \mathbb{R}^{m+1}[x;1]∈Rm+1 denotes xxx stacked over 111. In the Lean development these are RobustLS.Unstructured.eucNorm, frobNorm, specNorm, augment, stackOne, worstCaseResidual A b ρ x, its largest-singular-value variant worstCaseResidualSpec, and the SOCP constraint predicate SocpFeasible A b x λ τ.

Formalization targets

Goal: Theorem 3.1 (p. 1040)

For n≥1n \ge 1n≥1, every AAA, bbb:

r(A,b,x)=∥Ax−b∥+∥x∥2+1for all x∈Rm,r(A,b,x) = \|Ax-b\| + \sqrt{\|x\|^2+1} \quad \text{for all } x \in \mathbb{R}^m,r(A,b,x)=∥Ax−b∥+∥x∥2+1​for all x∈Rm,

the problem min⁡x∈Rmr(A,b,x)\min_{x \in \mathbb{R}^m} r(A,b,x)minx∈Rm​r(A,b,x) has exactly one solution xRLSx_{\mathrm{RLS}}xRLS​, and it is the SOCP

minimize λsubject to∥Ax−b∥≤λ−τ,∥[x;1]∥≤τ,(15)\text{minimize } \lambda \quad\text{subject to}\quad \|Ax-b\| \le \lambda-\tau,\quad \|[x;1]\| \le \tau, \tag{15}minimize λsubject to∥Ax−b∥≤λ−τ,∥[x;1]∥≤τ,(15)

in the sense that r(A,b,x)r(A,b,x)r(A,b,x) is the least λ\lambdaλ for which some τ\tauτ makes (x,λ,τ)(x,\lambda,\tau)(x,λ,τ) feasible.

Milestones

  1. Eq. (16). Every perturbation with ∥[ΔA Δb]∥F≤1\|[\Delta A\ \Delta b]\|_F \le 1∥[ΔA Δb]∥F​≤1 has residual at most ∥Ax−b∥+∥x∥2+1\|Ax-b\| + \sqrt{\|x\|^2+1}∥Ax−b∥+∥x∥2+1​.
  2. The worst-case perturbation. For a unit vector uuu aligned with Ax−bAx - bAx−b (arbitrary if Ax=bAx = bAx=b), the rank-one matrix Δ=u[xT −1]/∥x∥2+1\Delta = u[x^T\ {-1}]/\sqrt{\|x\|^2+1}Δ=u[xT −1]/∥x∥2+1​ has ∥Δ∥F=∥Δ∥=1\|\Delta\|_F = \|\Delta\| = 1∥Δ∥F​=∥Δ∥=1 and attains the bound.
  3. Spectral norm. The worst case over the larger ball ∥[ΔA Δb]∥≤1\|[\Delta A\ \Delta b]\| \le 1∥[ΔA Δb]∥≤1 is the same value.
  4. Strict convexity. x↦r(A,b,x)x \mapsto r(A,b,x)x↦r(A,b,x) is strictly convex on Rm\mathbb{R}^mRm.
  5. The SOCP (15). For every xxx, r(A,b,x)r(A,b,x)r(A,b,x) is the optimal λ\lambdaλ of (15) with xxx fixed, and xxx is an RLS solution exactly when it is the xxx-part of an optimal solution of (15).

Significance

The closed form replaces a maximization over a matrix ball of dimension n(m+1)n(m+1)n(m+1) by two Euclidean norms. It shows that the RLS objective is the LS residual plus a penalty ∥x∥2+1\sqrt{\|x\|^2+1}∥x∥2+1​ that does not depend on AAA or bbb, which is the starting point for the paper's Theorem 3.2 (the RLS solution is a Tikhonov-regularized LS solution with a data-dependent weight) and its analysis of continuity and conditioning. The SOCP formulation places the problem in the class solved by interior-point methods, at a cost the paper compares with one singular value decomposition of AAA. The spectral-norm statement says the worst case does not depend on which of the two standard matrix norms bounds the perturbation.

The result is proved in the paper; the proof is short. To the best of the planning survey (September 2026), no machine-checked proof exists, and Prove2Me has no statement about worst-case residuals or robust least squares. The mission produces a verified closed form that later missions of this series (Tikhonov form of the solution, structured and linear-fractional perturbations) and any formalization of robust regression can import.

Difficulty

The upper bound alone does not give the theorem: the statement is an equality, and the equality needs an explicit maximizer. The paper's printed maximizer is wrong by a sign: with [xT 1][x^T\ 1][xT 1] in place of [xT −1][x^T\ {-1}][xT −1] the perturbation does not attain the bound (for A=0A = 0A=0, x=0x = 0x=0, b=e1b = e_1b=e1​ it gives residual 000 instead of 222), so a transcription of the printed proof fails. Two further points are silent in the paper. The operator norm of a rank-one matrix has to be computed from the definition of the largest singular value. Uniqueness of the minimizer needs existence first, which follows from growth of rrr at infinity and is not stated. Working with the sSup definition of the worst case requires showing the set of residuals is bounded, which is milestone 1.

Formalization scope

  • Dimensions are Fin n, Fin m; AAA is Matrix (Fin n) (Fin m) ℝ, bbb and xxx are functions Fin n → ℝ, Fin m → ℝ. The augmented matrix [ΔA Δb][\Delta A\ \Delta b][ΔA Δb] is indexed by Fin m ⊕ Unit, and so is [x;1][x;1][x;1].
  • Vector norms are the Euclidean norm written as ∑ivi2\sqrt{\sum_i v_i^2}∑i​vi2​​ (eucNorm), never Mathlib's ‖·‖ on Fin n → ℝ, which is the sup norm. The Frobenius norm and the largest singular value are explicit definitions (frobNorm, specNorm); specNorm is the infimum of admissible operator constants.
  • The maximum in (1) is sSup of the set of attained residuals. For ρ≥0\rho \ge 0ρ≥0 the set is nonempty and bounded, so this is the true maximum; milestones 1 and 2 state the bound and the attaining perturbation directly, so no statement relies on the value of sSup on an unbounded set.
  • The paper's normalization ρ=1\rho = 1ρ=1 is kept; general ρ>0\rho > 0ρ>0 follows from the scaling ϕ(A,b,ρ)=ρ ϕ(A/ρ,b/ρ,1)\phi(A,b,\rho) = \rho\,\phi(A/\rho,b/\rho,1)ϕ(A,b,ρ)=ρϕ(A/ρ,b/ρ,1) the paper records on p. 1039 and is not a target.
  • The goal assumes n≥1n \ge 1n≥1. For n=0n = 0n=0 the only perturbation is the empty matrix, the worst case is 000, and the closed form fails; the paper's setting (Ax≃bAx \simeq bAx≃b with data b∈Rnb \in \mathbb{R}^nb∈Rn) has n≥1n \ge 1n≥1. Milestones 3–5 carry the same hypothesis.
  • Milestone 2 states the corrected perturbation [xT −1][x^T\ {-1}][xT −1]; the printed [xT 1][x^T\ 1][xT 1] is false.
  • A trivializing formalization — an upper bound in place of the equality, a worst case over ΔA\Delta AΔA and Δb\Delta bΔb bounded separately, or uniqueness among critical points only — is ruled out: the goal is the equality for the jointly bounded augmented matrix and ∃! of a global minimizer over all of Rm\mathbb{R}^mRm.

Contributions welcome: lemmas on Frobenius and operator norms of rank-one matrices, the inequality ∥Mz∥≤∥M∥F∥z∥\|Mz\| \le \|M\|_F\|z\|∥Mz∥≤∥M∥F​∥z∥ in this explicit setting, and strict convexity of x↦∥x∥2+1x \mapsto \sqrt{\|x\|^2+1}x↦∥x∥2+1​; these are reusable beyond the mission.

Selected references

  • L. El Ghaoui and H. Lebret, Robust Solutions to Least-Squares Problems with Uncertain Data, SIAM Journal on Matrix Analysis and Applications 18(4):1035–1064, 1997. https://doi.org/10.1137/S0895479896298130
  • A. Ben-Tal, L. El Ghaoui and A. Nemirovski, Robust Optimization, Princeton University Press, 2009. https://doi.org/10.1515/9781400831050
  • H. Xu, C. Caramanis and S. Mannor, Robust Regression and Lasso, Journal of Machine Learning Research 10:1485–1510, 2009 (IEEE Trans. Inf. Theory 56(7), 2010). https://jmlr.org/papers/v10/xu09b.html
  • M. S. Lobo, L. Vandenberghe, S. Boyd and H. Lebret, Applications of Second-Order Cone Programming, Linear Algebra and its Applications 284:193–228, 1998. https://doi.org/10.1016/S0024-3795(98)10032-0
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Convex OptimizationOperations ResearchOptimization·Captain: mikedeng1

Projected Gradient Methods for Linearly Constrained Problems I: The Gradient Projection Method Drives the Projected Gradients to ZeroResearch Paper

Motivation

The gradient projection method minimizes a continuously differentiable function over a closed convex set by alternating a gradient step with a projection back onto the set. It was proposed by Goldstein (1964) and by Levitin and Polyak (1966), and it is the basic step of many algorithms for bound constrained and linearly constrained optimization, including large-scale quadratic programming codes.

The classical convergence results either need a Lipschitz constant for the gradient to choose the step (Goldstein; Levitin–Polyak), or assume a bounded sequence of iterates and conclude only that limit points are stationary (Bertsekas, 1976, for the Armijo rule on a box; Dunn, 1981). Calamai and Moré (1987) introduced a general step-size rule that contains the Armijo procedure, and proved a convergence statement that needs no boundedness of the iterates: the projected gradients tend to zero. This statement is what later results on finite identification of the active constraints use as their hypothesis, so it is the natural entry point to the paper.

Setting

Let EEE be a finite-dimensional real inner product space with norm ∥⋅∥\|\cdot\|∥⋅∥, let Ω⊆E\Omega \subseteq EΩ⊆E be nonempty, closed and convex, and let f:E→Rf : E \to \mathbb Rf:E→R be continuously differentiable on Ω\OmegaΩ, with gradient ∇f\nabla f∇f taken with respect to the inner product. The problem is

min⁡{f(x):x∈Ω}.(1.1)\min\{f(x) : x \in \Omega\}. \qquad (1.1)min{f(x):x∈Ω}.(1.1)
  • The projection into Ω\OmegaΩ is P(x)=argmin⁡{∥z−x∥:z∈Ω}P(x) = \operatorname{argmin}\{\|z - x\| : z \in \Omega\}P(x)=argmin{∥z−x∥:z∈Ω}, the unique nearest point of Ω\OmegaΩ to xxx (Eq. (1.3)).
  • A point x∗∈Ωx^* \in \Omegax∗∈Ω is stationary if ⟨∇f(x∗),x−x∗⟩≥0\langle \nabla f(x^*), x - x^* \rangle \ge 0⟨∇f(x∗),x−x∗⟩≥0 for all x∈Ωx \in \Omegax∈Ω (Eq. (1.5)).
  • A direction vvv is feasible at x∈Ωx \in \Omegax∈Ω if x+τv∈Ωx + \tau v \in \Omegax+τv∈Ω for all sufficiently small τ>0\tau > 0τ>0; the tangent cone T(x)T(x)T(x) is the closure of the set of feasible directions.
  • The projected gradient is ∇Ωf(x)=argmin⁡{∥v+∇f(x)∥:v∈T(x)}\nabla_\Omega f(x) = \operatorname{argmin}\{\|v + \nabla f(x)\| : v \in T(x)\}∇Ω​f(x)=argmin{∥v+∇f(x)∥:v∈T(x)} (Eq. (3.1)), the nearest point of T(x)T(x)T(x) to −∇f(x)-\nabla f(x)−∇f(x).

A run of the gradient projection method is a pair of sequences (xk)k≥0(x_k)_{k\ge0}(xk​)k≥0​, (αk)k≥0(\alpha_k)_{k \ge 0}(αk​)k≥0​ with x0∈Ωx_0 \in \Omegax0​∈Ω, αk>0\alpha_k > 0αk​>0 and xk+1=xk(αk)x_{k+1} = x_k(\alpha_k)xk+1​=xk​(αk​), where xk(α)=P(xk−α∇f(xk))x_k(\alpha) = P(x_k - \alpha \nabla f(x_k))xk​(α)=P(xk​−α∇f(xk​)). For fixed constants γ1,γ2>0\gamma_1, \gamma_2 > 0γ1​,γ2​>0 and μ1,μ2∈(0,1)\mu_1, \mu_2 \in (0,1)μ1​,μ2​∈(0,1), the steps satisfy the sufficient decrease condition

f(xk+1)≤f(xk)+μ1⟨∇f(xk),xk+1−xk⟩(2.1)f(x_{k+1}) \le f(x_k) + \mu_1 \langle \nabla f(x_k), x_{k+1} - x_k\rangle \qquad (2.1)f(xk+1​)≤f(xk​)+μ1​⟨∇f(xk​),xk+1​−xk​⟩(2.1)

and the condition that the step is not too small: either αk≥γ1\alpha_k \ge \gamma_1αk​≥γ1​, or αk≥γ2αˉk>0\alpha_k \ge \gamma_2 \bar\alpha_k > 0αk​≥γ2​αˉk​>0 for some αˉk\bar\alpha_kαˉk​ at which sufficient decrease fails,

f(xk(αˉk))>f(xk)+μ2⟨∇f(xk),xk(αˉk)−xk⟩.(2.2)–(2.3)f(x_k(\bar\alpha_k)) > f(x_k) + \mu_2 \langle \nabla f(x_k), x_k(\bar\alpha_k) - x_k \rangle. \qquad (2.2)\text{–}(2.3)f(xk​(αˉk​))>f(xk​)+μ2​⟨∇f(xk​),xk​(αˉk​)−xk​⟩.(2.2)–(2.3)

In Lean these objects are proj, projGrad and IsGradientProjectionRun in the namespace CalamaiMore.Convergence, together with the shared definitions tangentCone and IsStationaryPoint in CalamaiMore.Shared.

Formalization targets

Goal: Theorem 3.2

If, in addition, the steps are bounded, αk≤γ3\alpha_k \le \gamma_3αk​≤γ3​ for some constant γ3\gamma_3γ3​ (3.2), fff is bounded below on Ω\OmegaΩ, and ∇f\nabla f∇f is uniformly continuous on Ω\OmegaΩ, then

lim⁡k→∞∥∇Ωf(xk)∥=0.\lim_{k \to \infty} \|\nabla_\Omega f(x_k)\| = 0.k→∞lim​∥∇Ω​f(xk​)∥=0.

No boundedness of {xk}\{x_k\}{xk​} is assumed, and no specific step rule beyond (2.1)–(2.3).

Milestones

  1. Lemma 2.1: PPP satisfies the variational inequality ⟨P(x)−x,z−P(x)⟩≥0\langle P(x) - x, z - P(x)\rangle \ge 0⟨P(x)−x,z−P(x)⟩≥0 for z∈Ωz \in \Omegaz∈Ω, is monotone (strictly when P(y)≠P(x)P(y) \ne P(x)P(y)=P(x)) and nonexpansive.
  2. Eqs. (2.4)–(2.5): ⟨∇f(xk),xk−xk(α)⟩≥∥xk(α)−xk∥2/α\langle \nabla f(x_k), x_k - x_k(\alpha)\rangle \ge \|x_k(\alpha) - x_k\|^2/\alpha⟨∇f(xk​),xk​−xk​(α)⟩≥∥xk​(α)−xk​∥2/α for α>0\alpha > 0α>0, and its instance at α=αk\alpha = \alpha_kα=αk​.
  3. Lemma 2.2: α↦∥P(x+αd)−x∥/α\alpha \mapsto \|P(x + \alpha d) - x\|/\alphaα↦∥P(x+αd)−x∥/α is nonincreasing on (0,∞)(0, \infty)(0,∞).
  4. Theorem 2.3: under the hypotheses of the goal without (3.2), ∥xk+1−xk∥/αk→0\|x_{k+1} - x_k\|/\alpha_k \to 0∥xk+1​−xk​∥/αk​→0.
  5. Lemma 3.1: −⟨∇f(x),∇Ωf(x)⟩=∥∇Ωf(x)∥2-\langle \nabla f(x), \nabla_\Omega f(x) \rangle = \|\nabla_\Omega f(x)\|^2−⟨∇f(x),∇Ω​f(x)⟩=∥∇Ω​f(x)∥2; min⁡{⟨∇f(x),v⟩:v∈T(x),∥v∥≤1}=−∥∇Ωf(x)∥\min\{\langle \nabla f(x), v\rangle : v \in T(x), \|v\| \le 1\} = -\|\nabla_\Omega f(x)\|min{⟨∇f(x),v⟩:v∈T(x),∥v∥≤1}=−∥∇Ω​f(x)∥; and xxx is stationary if and only if ∇Ωf(x)=0\nabla_\Omega f(x) = 0∇Ω​f(x)=0.
  6. Theorem 2.4: if some subsequence {xk:k∈K}\{x_k : k \in K\}{xk​:k∈K} is bounded, ∥xk+1−xk∥/αk→0\|x_{k+1} - x_k\|/\alpha_k \to 0∥xk+1​−xk​∥/αk​→0 along KKK, and every limit point of {xk}\{x_k\}{xk​} is stationary.
  7. Lemma 3.3: x↦∥∇Ωf(x)∥x \mapsto \|\nabla_\Omega f(x)\|x↦∥∇Ω​f(x)∥ is lower semicontinuous on Ω\OmegaΩ.
  8. Theorem 3.4: with (3.2) and a bounded subsequence {xk:k∈K}\{x_k : k \in K\}{xk​:k∈K}, ∥∇Ωf(xk+1)∥→0\|\nabla_\Omega f(x_{k+1})\| \to 0∥∇Ω​f(xk+1​)∥→0 along KKK.

Significance

By Lemma 3.1, ∥∇Ωf(x)∥\|\nabla_\Omega f(x)\|∥∇Ω​f(x)∥ vanishes exactly at stationary points, so Theorem 3.2 says that the method approaches stationarity in a quantitative sense even when the iterates are unbounded. With Lemma 3.3 it gives that every limit point is stationary. For polyhedral Ω\OmegaΩ it is the hypothesis of the paper's Theorem 4.1: any sequence with ∇Ωf(xk)→0\nabla_\Omega f(x_k) \to 0∇Ω​f(xk​)→0 converging to a nondegenerate point identifies the active constraints in finitely many iterations, which is the basis of active-set methods that switch between gradient projection steps and subspace minimization.

The results are proved in the paper. To our knowledge they have no machine-checked proof. This mission produces a formal account of the gradient projection method with a general step rule, a reusable projected gradient and tangent cone on a general finite-dimensional inner product space, and the standard projection estimates of §2, which are also the starting point of the paper's other two main results.

Difficulty

The obvious argument fails at two places. First, the continuity of ∇Ωf\nabla_\Omega f∇Ω​f cannot be used: the map x↦∇Ωf(x)x \mapsto \nabla_\Omega f(x)x↦∇Ω​f(x) is not continuous, and ∥∇Ωf∥\|\nabla_\Omega f\|∥∇Ω​f∥ can be bounded away from zero in every neighborhood of a stationary point, because the tangent cone changes discontinuously at the boundary of Ω\OmegaΩ. So xk→x∗x_k \to x^*xk​→x∗ with x∗x^*x∗ stationary does not by itself force ∇Ωf(xk)→0\nabla_\Omega f(x_k) \to 0∇Ω​f(xk​)→0, and here the iterates need not converge at all. Second, the steps αk\alpha_kαk​ may tend to zero along a subsequence; the step rule gives information only through a trial step αˉk\bar\alpha_kαˉk​, at a point other than xk+1x_{k+1}xk+1​, and comparing the two projected steps is where the argument must work.

Formalization scope

The space is a type E with [NormedAddCommGroup E] [InnerProductSpace ℝ E] [FiniteDimensional ℝ E]; ∇f\nabla f∇f is Mathlib's gradient f. "Continuously differentiable on Ω\OmegaΩ" is ∀ x ∈ Ω, DifferentiableAt ℝ f x together with ContinuousOn (gradient f) Ω. Bounded below is BddBelow (f '' Ω), uniform continuity is UniformContinuousOn (gradient f) Ω. Sequences are ℕ → E indexed from 000; a subsequence is an infinite K : Set ℕ with limits along atTop ⊓ 𝓟 K; a limit point is a MapClusterPt. The projection and the projected gradient are total functions through a nearest-point map that returns 000 when no nearest point exists; every theorem assumes Ω\OmegaΩ nonempty, closed and convex, and evaluates ∇Ωf\nabla_\Omega f∇Ω​f only at points of Ω\OmegaΩ, where the nearest point exists and is unique. The step rule is a predicate on the pair of sequences, so the theorems cover every rule satisfying (2.1)–(2.3); the auxiliary condition μ1≤μ2\mu_1 \le \mu_2μ1​≤μ2​, which the paper uses only to show that an admissible step exists, is not imposed.

The run predicate is satisfiable: for a constant fff, the constant sequence xk=x0∈Ωx_k = x_0 \in \Omegaxk​=x0​∈Ω with αk=γ1\alpha_k = \gamma_1αk​=γ1​ is a run, so the goal is not vacuous. A formalization that states the goal for an arbitrary map in place of the projection, drops the bound αk≤γ3\alpha_k \le \gamma_3αk​≤γ3​, or replaces ∥∇Ωf(xk)∥\|\nabla_\Omega f(x_k)\|∥∇Ω​f(xk​)∥ by ∥xk+1−xk∥/αk\|x_{k+1} - x_k\|/\alpha_k∥xk+1​−xk​∥/αk​ proves a different theorem and is not accepted.

Contributions welcome: the projection estimates (reusable for any projection-based method), existence and uniqueness of the projected gradient, the characterization of stationarity, and the two limit theorems.

Selected references

  • P. H. Calamai, J. J. Moré, Projected gradient methods for linearly constrained problems, Mathematical Programming 39 (1987) 93–116. https://doi.org/10.1007/BF02592073
  • A. A. Goldstein, Convex programming in Hilbert space, Bulletin of the AMS 70 (1964) 709–710. https://doi.org/10.1090/S0002-9904-1964-11178-2
  • E. S. Levitin, B. T. Polyak, Constrained minimization methods, USSR Computational Mathematics and Mathematical Physics 6 (1966) 1–50. https://doi.org/10.1016/0041-5553(66)90114-5
  • D. P. Bertsekas, On the Goldstein–Levitin–Polyak gradient projection method, IEEE Transactions on Automatic Control 21 (1976) 174–184. https://doi.org/10.1109/TAC.1976.1101194
  • J. C. Dunn, Global and asymptotic convergence rate estimates for a class of projected gradient processes, SIAM Journal on Control and Optimization 19 (1981) 368–400. https://doi.org/10.1137/0319022
  • E. M. Gafni, D. P. Bertsekas, Two-metric projection methods for constrained optimization, SIAM Journal on Control and Optimization 22 (1984) 936–964. https://doi.org/10.1137/0322061
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Linear algebraProbabilityRandom Matrix Theory·Captain: mikedeng1

Randomized Algorithms for Estimating the Trace of an Implicit Symmetric Positive Semi-Definite Matrix I: Sample Bound for the Gaussian Trace EstimatorResearch Paper

Motivation

Many computations in scientific computing, statistics and machine learning need the trace of a matrix AAA that is never formed explicitly: AAA may be f(B)f(B)f(B) for a large sparse BBB, an inverse B−1B^{-1}B−1, or a product of operators, and the only access to it is the ability to compute products AzAzAz for chosen vectors zzz. Examples are log-determinant estimation in Gaussian process regression, counting triangles in graphs through trace(B3)\mathrm{trace}(B^3)trace(B3), computing charge densities in electronic structure calculations, and generalized cross-validation in regularized regression. For such matrices the nnn diagonal entries are not available, and computing them one at a time costs nnn matrix–vector products.

Randomized trace estimators replace this by a small number MMM of products: draw random vectors z1,…,zMz_1,\ldots,z_Mz1​,…,zM​ from a fixed distribution with E(ziTAzi)=trace(A)\mathrm{E}(z_i^T A z_i) = \mathrm{trace}(A)E(ziT​Azi​)=trace(A) and average the quadratic forms. Hutchinson (1989) introduced the estimator with Rademacher vectors and computed its variance; Silver and Röder (1997) used Gaussian vectors. Before Avron and Toledo (2011), the analyses of these estimators were variance computations, which do not say how many samples guarantee a given relative accuracy with a given probability. Avron and Toledo gave the first such sample bounds for several estimators, stated in terms of an (ϵ,δ)(\epsilon,\delta)(ϵ,δ) guarantee; this mission formalizes their bound for the Gaussian estimator. Later work (Roosta-Khorasani and Ascher 2015; Cortinovis and Kressner 2022) sharpened these bounds and extended them to indefinite matrices.

Setting

Let A∈Rn×nA \in \mathbb{R}^{n\times n}A∈Rn×n be symmetric positive semi-definite, and write τ=trace(A)\tau = \mathrm{trace}(A)τ=trace(A). Fix a number of samples M≥1M \ge 1M≥1. Let z1,…,zM∈Rnz_1, \ldots, z_M \in \mathbb{R}^nz1​,…,zM​∈Rn be random vectors whose MnMnMn entries are independent standard normal random variables. The Gaussian trace estimator (Definition 3.1) is

GM=1M∑i=1MziTAzi.G_M = \frac{1}{M}\sum_{i=1}^{M} z_i^T A z_i .GM​=M1​i=1∑M​ziT​Azi​.

Each term ziTAziz_i^TAz_iziT​Azi​ has expectation trace(A)\mathrm{trace}(A)trace(A), so GMG_MGM​ is unbiased. A randomized trace estimator TTT is an (ϵ,δ)(\epsilon,\delta)(ϵ,δ)-approximator of trace(A)\mathrm{trace}(A)trace(A) (Definition 4.1) if

Pr⁡(∣T−trace(A)∣≤ϵ trace(A))≥1−δ,\Pr\bigl(|T - \mathrm{trace}(A)| \le \epsilon\,\mathrm{trace}(A)\bigr) \ge 1-\delta ,Pr(∣T−trace(A)∣≤ϵtrace(A))≥1−δ,

that is, if its relative error is at most ϵ\epsilonϵ except on an event of probability at most δ\deltaδ.

The analysis uses the eigenvalues λ1,…,λn≥0\lambda_1,\ldots,\lambda_n \ge 0λ1​,…,λn​≥0 of AAA, listed with multiplicity, and the polynomial h(t)=∑s=2n(−2)sts∑∣S∣=s∏i∈Sλih(t) = \sum_{s=2}^{n}(-2)^s t^s \sum_{|S| = s}\prod_{i\in S}\lambda_ih(t)=∑s=2n​(−2)sts∑∣S∣=s​∏i∈S​λi​, where SSS ranges over subsets of {1,…,n}\{1,\ldots,n\}{1,…,n}; it satisfies ∏i(1−2λit)=1−2τt+h(t)\prod_i(1-2\lambda_i t) = 1 - 2\tau t + h(t)∏i​(1−2λi​t)=1−2τt+h(t).

Formalization targets

Goal: Theorem 5.2 (corrected)

For every symmetric positive semi-definite AAA, every 0<ϵ≤1/100 < \epsilon \le 1/100<ϵ≤1/10, every 0<δ<10<\delta<10<δ<1 and every natural number MMM with

M≥20 ϵ−2ln⁡(2/δ),M \ge 20\,\epsilon^{-2}\ln(2/\delta),M≥20ϵ−2ln(2/δ),

the estimator GMG_MGM​ is an (ϵ,δ)(\epsilon,\delta)(ϵ,δ)-approximator of trace(A)\mathrm{trace}(A)trace(A). The sample count depends on neither nnn nor AAA.

Milestones

  1. Lemma 5.1. For symmetric AAA, E(G1)=trace(A)\mathrm{E}(G_1) = \mathrm{trace}(A)E(G1​)=trace(A) and Var(G1)=2∥A∥F2\mathrm{Var}(G_1) = 2\|A\|_F^2Var(G1​)=2∥A∥F2​.
  2. Eq. (1). For symmetric AAA and every ttt with 2λit<12\lambda_i t < 12λi​t<1 for all iii, the moment generating function of Z=MGMZ = MG_MZ=MGM​ is
mZ(t)=∏i=1n(1−2λit)−M/2=(1−2τt+h(t))−M/2.m_Z(t) = \prod_{i=1}^{n}(1-2\lambda_i t)^{-M/2} = (1 - 2\tau t + h(t))^{-M/2}.mZ​(t)=i=1∏n​(1−2λi​t)−M/2=(1−2τt+h(t))−M/2.
  1. Elementary symmetric sums (p. 8:8). For non-negative x1,…,xnx_1,\ldots,x_nx1​,…,xn​ and 1≤i≤n1\le i\le n1≤i≤n, ∑∣S∣=i∏j∈Sxj≤(∑jxj)i\sum_{|S|=i}\prod_{j\in S}x_j \le (\sum_j x_j)^i∑∣S∣=i​∏j∈S​xj​≤(∑j​xj​)i; hence ∣h(t)∣≤∑j=2n(2τt)j|h(t)| \le \sum_{j=2}^{n}(2\tau t)^j∣h(t)∣≤∑j=2n​(2τt)j for t≥0t\ge0t≥0 when all λi≥0\lambda_i\ge0λi​≥0.
  2. Upper tail (pp. 8:8–8:9). If τ>0\tau > 0τ>0, M≥1M\ge1M≥1 and 0<ϵ≤0.10<\epsilon\le 0.10<ϵ≤0.1, then
Pr⁡(GM≥τ(1+ϵ))≤exp⁡(−Mϵ2/20).\Pr\bigl(G_M \ge \tau(1+\epsilon)\bigr) \le \exp(-M\epsilon^2/20).Pr(GM​≥τ(1+ϵ))≤exp(−Mϵ2/20).
  1. Both tails (p. 8:9). If τ>0\tau>0τ>0, 0<ϵ≤0.10<\epsilon\le0.10<ϵ≤0.1 and M≥20ϵ−2ln⁡(2/δ)M \ge 20\epsilon^{-2}\ln(2/\delta)M≥20ϵ−2ln(2/δ), then Pr⁡(GM≥τ(1+ϵ))≤δ/2\Pr(G_M \ge \tau(1+\epsilon)) \le \delta/2Pr(GM​≥τ(1+ϵ))≤δ/2 and Pr⁡(GM≤τ(1−ϵ))≤δ/2\Pr(G_M \le \tau(1-\epsilon)) \le \delta/2Pr(GM​≤τ(1−ϵ))≤δ/2.

Significance

The theorem gives a number of matrix–vector products, O(ϵ−2ln⁡(1/δ))O(\epsilon^{-2}\ln(1/\delta))O(ϵ−2ln(1/δ)), that suffices for a relative-error guarantee on the trace of any positive semi-definite matrix, independent of its dimension and spectrum. It is the reference row of the paper's Table I, against which the Hutchinson, normalized Rayleigh-quotient and unit-vector estimators are compared, and it is the form in which trace estimation enters the analysis of randomized algorithms for log-determinants, spectral densities and matrix functions.

The result is proved in the paper; to our knowledge it has not been formalized in any proof assistant. The mission produces a machine-checked version with the constant 202020 and the range of ϵ\epsilonϵ made explicit, and with the misprints of the printed argument resolved (see Formalization scope). It also produces reusable pieces: the moment generating function of a Gaussian quadratic form, and the bound on elementary symmetric sums by powers of the power sum. Sharper constants, the removal of the restriction ϵ≤0.1\epsilon\le 0.1ϵ≤0.1, or a direct formalization of the lower tail through a χ2\chi^2χ2 tail bound are welcome as further theorems.

Difficulty

Unbiasedness and the variance formula do not give the result: Chebyshev's inequality with Var(GM)=2∥A∥F2/M≤2τ2/M\mathrm{Var}(G_M) = 2\|A\|_F^2/M \le 2\tau^2/MVar(GM​)=2∥A∥F2​/M≤2τ2/M yields M≥2ϵ−2δ−1M \ge 2\epsilon^{-2}\delta^{-1}M≥2ϵ−2δ−1, with a polynomial rather than logarithmic dependence on 1/δ1/\delta1/δ. A logarithmic bound needs exponential moments of GMG_MGM​, and the exponential moment of zTAzz^TAzzTAz is finite only for ttt below 1/(2λmax⁡)1/(2\lambda_{\max})1/(2λmax​); the argument has to choose ttt inside that range uniformly in the spectrum, using only λmax⁡≤τ\lambda_{\max}\le\tauλmax​≤τ. The second obstacle is distributional: zTAzz^TAzzTAz is not a sum of independent terms in the coordinates of zzz, and reducing it to a weighted sum of independent χ2\chi^2χ2 variables requires the rotation invariance of the standard Gaussian vector. The paper proves only the upper tail with an explicit constant and states that the lower tail follows "using the same technique"; that step has to be supplied.

Formalization scope

Matrices are Matrix (Fin n) (Fin n) ℝ; "symmetric positive semi-definite" is A.PosSemidef, "symmetric" is A.IsHermitian, and eigenvalues are Matrix.IsHermitian.eigenvalues. The sample space is Fin M → Fin n → ℝ with the product measure of MnMnMn copies of gaussianReal 0 1, so the law of the samples is constructed, not assumed; GM(ω)=(M:R)−1∑iωi⋅(Aωi)G_M(\omega) = (M:\mathbb{R})^{-1}\sum_i \omega_i\cdot(A\omega_i)GM​(ω)=(M:R)−1∑i​ωi​⋅(Aωi​). Probabilities are Measure.real; the moment generating function is Mathlib's mgf; the variance is Mathlib's variance, and Lemma 5.1 asserts square integrability so that neither the integral nor the variance takes its default value. The sample count is a natural number M≥1M\ge1M≥1; ϵ\epsilonϵ and δ\deltaδ are real.

Corrections of the printed text, each recorded in the item's Formalization Note:

  • Theorem 5.2 is printed without a range for ϵ\epsilonϵ and is false without one (for rank-one AAA, ϵ=100\epsilon=100ϵ=100, δ=e−400\delta=e^{-400}δ=e−400 the threshold allows M=1M=1M=1, while Pr⁡(χ12>101)≈e−50>δ\Pr(\chi^2_1>101)\approx e^{-50}>\deltaPr(χ12​>101)≈e−50>δ). The proof gives its key bound "for ϵ≤0.1\epsilon\le0.1ϵ≤0.1"; the goal is stated for 0<ϵ≤1/100<\epsilon\le 1/100<ϵ≤1/10.
  • Eq. (1) is printed for ∣λit∣≤12|\lambda_i t|\le\frac12∣λi​t∣≤21​, which admits 1−2λit=01-2\lambda_it = 01−2λi​t=0, where the moment generating function is infinite. It is stated for 2λit<12\lambda_i t<12λi​t<1. The page's sum over subsets of "the set Λ\LambdaΛ of eigenvalues" is taken over index sets, so repeated eigenvalues count with multiplicity.
  • The last paragraph of the proof prints Pr⁡(GM≤τ(1+ϵ))≤δ/2\Pr(G_M\le\tau(1+\epsilon))\le\delta/2Pr(GM​≤τ(1+ϵ))≤δ/2 for the upper tail and Pr⁡(∣GM−τ∣≤τ(1+ϵ))≤δ\Pr(|G_M-\tau|\le\tau(1+\epsilon))\le\deltaPr(∣GM​−τ∣≤τ(1+ϵ))≤δ for the conclusion; the intended statements are Pr⁡(GM≥τ(1+ϵ))≤δ/2\Pr(G_M\ge\tau(1+\epsilon))\le\delta/2Pr(GM​≥τ(1+ϵ))≤δ/2 and Pr⁡(∣GM−τ∣>ϵτ)≤δ\Pr(|G_M-\tau|>\epsilon\tau)\le\deltaPr(∣GM​−τ∣>ϵτ)≤δ. Milestone 5 states the upper and lower tail bounds.
  • Lemma 5.1 is followed by the remark that it "also applies when AAA is non-symmetric"; this is false for the variance and is not formalized. Definition 3.1 says "positive-definite"; the estimator is defined for every matrix and each theorem carries its own hypothesis.
  • The one-sided tail milestones assume trace(A)>0\mathrm{trace}(A)>0trace(A)>0; for A=0A=0A=0 their events are certain, while the goal holds trivially.

A formalization that makes the goal trivial is ruled out: the estimator's law is the explicit product Gaussian measure rather than a hypothesis, MMM ranges over all natural numbers above the threshold, and the approximator predicate is evaluated on the genuine event ∣GM−trace(A)∣≤ϵ trace(A)|G_M - \mathrm{trace}(A)|\le\epsilon\,\mathrm{trace}(A)∣GM​−trace(A)∣≤ϵtrace(A).

A complete development needs rotation invariance of the standard Gaussian on Rn\mathbb{R}^nRn (Mathlib's stdGaussian_map), the moment generating function of a squared standard normal, independence of products of Gaussian vectors, and a Chernoff bound from the moment generating function. The Gaussian quadratic-form results (milestones 1 and 2) are reusable for the other Gaussian estimators of the paper, such as the rank estimator of Lemma 5.3. Proofs of any milestone, alternative proofs of the lower tail, and helper lemmas on χ2\chi^2χ2 moment generating functions are welcome.

Selected references

  • H. Avron and S. Toledo, Randomized algorithms for estimating the trace of an implicit symmetric positive semi-definite matrix, Journal of the ACM 58(2), Article 8, 2011. https://doi.org/10.1145/1944345.1944349
  • M. F. Hutchinson, A stochastic estimator of the trace of the influence matrix for Laplacian smoothing splines, Communications in Statistics – Simulation and Computation 18(3), 1059–1076, 1989. https://doi.org/10.1080/03610918908812806
  • R. N. Silver and H. Röder, Calculation of densities of states and spectral functions by Chebyshev recursion and maximum entropy, Physical Review E 56(4), 4822–4829, 1997. https://doi.org/10.1103/PhysRevE.56.4822
  • F. Roosta-Khorasani and U. Ascher, Improved bounds on sample size for implicit matrix trace estimators, Foundations of Computational Mathematics 15, 1187–1212, 2015. https://doi.org/10.1007/s10208-014-9220-1
  • A. Cortinovis and D. Kressner, On randomized trace estimates for indefinite matrices with an application to determinants, Foundations of Computational Mathematics 22, 875–903, 2022. https://doi.org/10.1007/s10208-021-09525-9
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Analysis of Generalized Pattern Searches: Nonnegative Clarke Derivatives at Limits of Refining SubsequencesResearch Paper

Motivation

Generalized pattern search (GPS) is a class of derivative-free methods for minimizing a function that can only be evaluated, not differentiated. Such objectives arise in engineering design, where one evaluation is an expensive simulation that may fail and return no value at all. The helicopter rotor design problem of Booker et al. is one example: no value was returned for roughly 66% of the trial points (Booker et al., 1999). A method for such problems has to tolerate objectives that are discontinuous or take the value +∞+\infty+∞.

Earlier convergence theory for GPS assumed continuous differentiability of the objective on a neighbourhood of the level set. Torczon established it for unconstrained problems (SIAM J. Optim. 7, 1997), and Lewis and Torczon extended it to bound constraints (1999) and to finitely many linear constraints (SIAM J. Optim. 10, 2000). Audet and Dennis (SIAM J. Optim. 13, 2003) replaced these analyses with a single argument. Its conclusions are local and are graded by the smoothness of the objective at the limit point only, through Clarke's generalized directional derivative. That paper is the source of this mission. Its analysis is the basis of the later mesh adaptive direct search (MADS) theory (Audet, Dennis, SIAM J. Optim. 17, 2006).

Setting

The problem is

min⁡x∈Ωf(x),f:Rn→R∪{+∞},Ω={x∈Rn:ℓ≤Ax≤u},\min_{x\in\Omega} f(x),\qquad f:\mathbb R^n\to\mathbb R\cup\{+\infty\},\qquad \Omega=\{x\in\mathbb R^n:\ell\le Ax\le u\},x∈Ωmin​f(x),f:Rn→R∪{+∞},Ω={x∈Rn:ℓ≤Ax≤u},

with A∈Rm×nA\in\mathbb R^{m\times n}A∈Rm×n and ℓ≤u\ell\le uℓ≤u in (R∪{±∞})m(\mathbb R\cup\{\pm\infty\})^m(R∪{±∞})m. The algorithm works with the barrier function fΩf_\OmegafΩ​, equal to fff on Ω\OmegaΩ and to +∞+\infty+∞ elsewhere.

The algorithm uses a finite set of directions D=GZˉD=G\bar ZD=GZˉ, the columns dj=Gzˉjd_j=G\bar z_jdj​=Gzˉj​ of the product of a nonsingular G∈Rn×nG\in\mathbb R^{n\times n}G∈Rn×n and an integer matrix Zˉ∈Zn×p\bar Z\in\mathbb Z^{n\times p}Zˉ∈Zn×p. The directions form a positive spanning set: their nonnegative combinations give all of Rn\mathbb R^nRn. At iteration kkk, with iterate xkx_kxk​ and mesh size parameter Δk>0\Delta_k>0Δk​>0, the mesh is Mk={xk+ΔkDz:z∈Z+p}M_k=\{x_k+\Delta_k Dz: z\in\mathbb Z_+^{p}\}Mk​={xk​+Δk​Dz:z∈Z+p​}. A poll set {xk+Δkd:d∈Dk}\{x_k+\Delta_k d: d\in D_k\}{xk​+Δk​d:d∈Dk​} is drawn from a positive spanning subset Dk⊆DD_k\subseteq DDk​⊆D. Each iteration ends in one of two ways:

  1. Improved mesh point. Some xk+1∈Mk∩Ωx_{k+1}\in M_k\cap\Omegaxk+1​∈Mk​∩Ω with fΩ(xk+1)<fΩ(xk)f_\Omega(x_{k+1})<f_\Omega(x_k)fΩ​(xk+1​)<fΩ​(xk​) was found, by the free SEARCH step or by the poll. Then Δk+1=τwkΔk\Delta_{k+1}=\tau^{w_k}\Delta_kΔk+1​=τwk​Δk​ with 0≤wk≤w+0\le w_k\le w^+0≤wk​≤w+.
  2. Mesh local optimizer. fΩ(xk)≤fΩ(xk+Δkd)f_\Omega(x_k)\le f_\Omega(x_k+\Delta_k d)fΩ​(xk​)≤fΩ​(xk​+Δk​d) for every d∈Dkd\in D_kd∈Dk​. Then xk+1=xkx_{k+1}=x_kxk+1​=xk​ and Δk+1=τwkΔk\Delta_{k+1}=\tau^{w_k}\Delta_kΔk+1​=τwk​Δk​ with w−≤wk≤−1w^-\le w_k\le-1w−≤wk​≤−1.

Here τ>1\tau>1τ>1 is rational and w−≤−1≤0≤w+w^-\le-1\le 0\le w^+w−≤−1≤0≤w+ are integers. The assumptions are A1 fΩ(x0)<∞f_\Omega(x_0)<\inftyfΩ​(x0​)<∞, A2 AAA is rational, and A3 all iterates lie in a compact set. A refining subsequence is an infinite set of mesh local optimizers {xk}k∈K\{x_k\}_{k\in K}{xk​}k∈K​ along which Δk→0\Delta_k\to 0Δk​→0 (Definition 3.5). For fff Lipschitz near x^\hat xx^, Clarke's derivative is

f∘(x^;d)=lim sup⁡y→x^, t↓0f(y+td)−f(y)t.f^\circ(\hat x;d)=\limsup_{y\to\hat x,\ t\downarrow 0}\frac{f(y+td)-f(y)}{t}.f∘(x^;d)=y→x^, t↓0limsup​tf(y+td)−f(y)​.

Formalization targets

Goal: Theorem 3.7

Assume A1–A3. Let x^\hat xx^ be the limit of a refining subsequence, and let d∈Dd\in Dd∈D be a direction polled at a feasible point xk+Δkdx_k+\Delta_k dxk​+Δk​d for infinitely many kkk in the subsequence. If fff is Lipschitz near x^\hat xx^, then

f∘(x^;d) ≥ 0.f^\circ(\hat x;d)\ \ge\ 0 .f∘(x^;d) ≥ 0.

Milestones on the way

  • Theorem 3.1: the iterates have a limit point, lim⁡kf(xk)\lim_k f(x_k)limk​f(xk​) exists and dominates fff at lower semicontinuity limit points, and all continuity limit points share one value.
  • Lemma 3.2: min⁡u≠v∈Mk∥u−v∥≥Δk/∥G−1∥\min_{u\ne v\in M_k}\|u-v\|\ge\Delta_k/\|G^{-1}\|minu=v∈Mk​​∥u−v∥≥Δk​/∥G−1∥ for every norm giving nonzero integer vectors norm at least 111.
  • Lemma 3.3: Δk≤Δ0τr+\Delta_k\le\Delta_0\tau^{r^+}Δk​≤Δ0​τr+ for some positive integer r+r^+r+.
  • Proposition 3.4: lim inf⁡k→∞Δk=0\liminf_{k\to\infty}\Delta_k=0liminfk→∞​Δk​=0.
  • Theorem 3.6: a convergent refining subsequence exists.

Corollaries

  • Theorem 3.9: if Ω=Rn\Omega=\mathbb R^nΩ=Rn and fff is strictly differentiable at x^\hat xx^, then ∇f(x^)=0\nabla f(\hat x)=0∇f(x^)=0.
  • Theorem 3.14: if the poll sets conform to the boundary of Ω\OmegaΩ (Definition 3.13) and fff is strictly differentiable at x^\hat xx^, then ∇f(x^)Tw≥0\nabla f(\hat x)^Tw\ge 0∇f(x^)Tw≥0 on the tangent cone TΩ(x^)T_\Omega(\hat x)TΩ​(x^) and −∇f(x^)∈NΩ(x^)-\nabla f(\hat x)\in N_\Omega(\hat x)−∇f(x^)∈NΩ​(x^). So x^\hat xx^ is a KKT point.

Significance

Theorem 3.7 gives a first-order conclusion at a limit point from a local hypothesis at that point alone. It does not require smoothness elsewhere, finiteness of fff elsewhere, or continuity. It turns the heuristic "the method stopped improving on ever finer meshes" into a statement about generalized derivatives. The unconstrained stationarity result (Theorem 3.9) and the linearly constrained KKT result (Theorem 3.14) follow from it, and they recover the Torczon and Lewis–Torczon theorems under weaker smoothness assumptions. The chain Lemma 3.2 → Lemma 3.3 → Proposition 3.4 → Theorem 3.6 shows that the goal's hypothesis is always met. Every run satisfying A1 and A3 has a refining subsequence, which rests on the rationality of τ\tauτ and on the integer structure of DDD.

All results in this mission are proved in the source paper. None of them has, to the best of our knowledge, a machine-checked proof. The mission contributes a formal model of the GPS algorithm class as a class of runs, a formal Clarke directional derivative, and checked proofs of the mesh-refinement chain and the main theorem.

Difficulty

Given a refining subsequence, the goal is a comparison of limsups: the poll inequalities give nonnegative difference quotients at the points (xk,Δk)(x_k,\Delta_k)(xk​,Δk​), which converge to (x^,0+)(\hat x,0^+)(x^,0+). The difficulty lies in two places. First, the objective is extended-valued, and the barrier hides fff at infeasible poll points, where the poll inequality fΩ(xk)≤+∞f_\Omega(x_k)\le+\inftyfΩ​(xk​)≤+∞ says nothing. The hypothesis on ddd has to supply feasibility, and the Lipschitz hypothesis has to supply finiteness near x^\hat xx^. Second, the existence of refining subsequences is not a compactness argument alone. Coarsening is allowed, so Δk\Delta_kΔk​ need not decrease, and with an irrational τ\tauτ or a direction set that is not an integer lattice image (for instance D=[−1,+π]D=[-1,+\pi]D=[−1,+π] in R\mathbb RR) the meshes can be dense and lim inf⁡Δk\liminf\Delta_kliminfΔk​ can be positive. The lattice argument behind Proposition 3.4 is where the integrality hypotheses are used.

Formalization scope

Points of Rn\mathbb R^nRn are Fin n → ℝ, fff takes values in WithTop ℝ, and the bounds ℓ,u\ell,uℓ,u are EReal-valued, so m=0m=0m=0 gives Ω=Rn\Omega=\mathbb R^nΩ=Rn. The barrier is defined by cases, never by extended addition. Directions are the columns of G * Zbar indexed by Fin p, and DkD_kDk​ is a Finset (Fin p). A GPS run is a structure of sequences xk,Δk,Dk,wkx_k,\Delta_k,D_k,w_kxk​,Δk​,Dk​,wk​ and a per-iteration predicate "mesh local optimizer", subject to exactly the two update rules above, Δ0>0\Delta_0>0Δ0​>0, rational τ>1\tau>1τ>1 and the exponent bounds. The SEARCH step, the choice of DkD_kDk​ and the exponents are left free, since the paper allows any strategy. A subsequence is a strictly increasing map K:N→NK:\mathbb N\to\mathbb NK:N→N. The Clarke derivative of a real function is an EReal-valued limit superior along y→x^y\to\hat xy→x^, t→0+t\to 0^+t→0+. "fff Lipschitz near x^\hat xx^" means that fff agrees near x^\hat xx^ with a real function Lipschitz there, and the conclusions are stated for every such function. Strict differentiability is the directional notion of Section 3.4 of the paper.

The goal is not trivialized by an empty run class: Theorem 3.6, on the same class, asserts that refining subsequences exist. The mesh-local-optimizer branch requires the complete poll inequality over DkD_kDk​. The Clarke limit superior cannot take a default value. The direction ddd must be polled at feasible points infinitely often, which is the paper's "fff was evaluated".

Contributions welcome: proofs of any milestone, and reusable lemmas on positive spanning sets, lattice points in compact sets, and the Clarke derivative (for instance, that it equals ∇f(x^)Td\nabla f(\hat x)^Td∇f(x^)Td under strict differentiability).

Selected references

  • C. Audet, J. E. Dennis Jr., Analysis of Generalized Pattern Searches, SIAM J. Optim. 13(3):889–903, 2003. https://doi.org/10.1137/S1052623400378742
  • V. Torczon, On the Convergence of Pattern Search Algorithms, SIAM J. Optim. 7(1):1–25, 1997. https://doi.org/10.1137/S1052623493250780
  • R. M. Lewis, V. Torczon, Pattern Search Methods for Linearly Constrained Minimization, SIAM J. Optim. 10(3):917–941, 2000. https://doi.org/10.1137/S1052623497331373
  • F. H. Clarke, Optimization and Nonsmooth Analysis, Wiley, 1983; reprinted SIAM Classics in Applied Mathematics 5, 1990. https://doi.org/10.1137/1.9781611971309
  • A. J. Booker, J. E. Dennis Jr., P. D. Frank, D. B. Serafini, V. Torczon, M. W. Trosset, A rigorous framework for optimization of expensive functions by surrogates, Structural Optimization 17:1–13, 1999. https://doi.org/10.1007/BF01197559
  • C. Audet, J. E. Dennis Jr., Mesh Adaptive Direct Search Algorithms for Constrained Optimization, SIAM J. Optim. 17(1):188–217, 2006. https://doi.org/10.1137/040603371
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A Nonsmooth Version of Newton's Method I: local superlinear convergence of the generalized-Jacobian Newton method at a semismooth regular rootResearch Paper

Motivation

Many problems in optimization and equilibrium modelling reduce to a system of equations F(x)=0F(x) = 0F(x)=0 whose map F:Rn→RnF : \mathbb R^n \to \mathbb R^nF:Rn→Rn is Lipschitz but not differentiable: reformulations of nonlinear complementarity problems through the componentwise minimum or the Fischer–Burmeister function, Karush–Kuhn–Tucker systems of constrained programs, and gradients of augmented Lagrangians all have kinks. Newton's method, xk+1=xk−F′(xk)−1F(xk)x^{k+1} = x^k - F'(x^k)^{-1}F(x^k)xk+1=xk−F′(xk)−1F(xk), is the standard fast local solver for smooth systems, but it needs a derivative at every iterate.

Qi and Sun (Math. Programming 58, 1993) replaced the Jacobian by an arbitrary element of Clarke's generalized Jacobian and showed that the resulting method converges locally superlinearly under a regularity condition they called semismoothness, extending Mifflin's notion for functionals (Mifflin, SIAM J. Control Optim. 15, 1977) to vector-valued maps. This theorem is the foundation of the family of semismooth Newton methods used in complementarity, variational inequalities and PDE-constrained optimization.

Timeline. Robinson (1988) and Pang (Math. OR 15, 1990) studied Newton methods built on B-derivatives, with convergence proved under a strong Fréchet derivative at the solution; Kummer (1988) gave an abstract framework for Newton methods for nonsmooth equations; Qi and Sun (1993) proved local superlinear convergence for the generalized-Jacobian iteration under semismoothness and nonsingularity of ∂F(x∗)\partial F(x^*)∂F(x∗), with order 1+p1+p1+p under ppp-order semismoothness.

Setting

Let F:Rn→RmF : \mathbb R^n \to \mathbb R^mF:Rn→Rm be locally Lipschitz. By Rademacher's theorem FFF is differentiable on a set DFD_FDF​ of full measure; write JF(y)JF(y)JF(y) for the Jacobian at y∈DFy \in D_Fy∈DF​. The generalized Jacobian is

∂F(x)=co{lim⁡i→∞JF(xi):xi→x, xi∈DF},\partial F(x) = \mathrm{co}\Big\{\lim_{i\to\infty} JF(x_i) : x_i \to x,\ x_i \in D_F\Big\},∂F(x)=co{i→∞lim​JF(xi​):xi​→x, xi​∈DF​},

the convex hull of all limits of Jacobians along sequences of differentiability points converging to xxx. The one-sided directional derivative is F′(x;h)=lim⁡t↓0(F(x+th)−F(x))/tF'(x;h) = \lim_{t\downarrow 0}(F(x+th)-F(x))/tF′(x;h)=limt↓0​(F(x+th)−F(x))/t.

FFF is semismooth at xxx if it is Lipschitz near xxx and, for every hhh, the limit of Vh′Vh'Vh′ over V∈∂F(x+th′)V \in \partial F(x+th')V∈∂F(x+th′), h′→hh' \to hh′→h, t↓0t \downarrow 0t↓0 exists. For 0<p≤10 < p \le 10<p≤1, FFF is ppp-order semismooth at xxx if in addition Vh−F′(x;h)=O(∥h∥1+p)Vh - F'(x;h) = O(\|h\|^{1+p})Vh−F′(x;h)=O(∥h∥1+p) for V∈∂F(x+h)V \in \partial F(x+h)V∈∂F(x+h), h→0h \to 0h→0.

For m=nm = nm=n, the nonsmooth Newton method is

xk+1=xk−Vk−1F(xk),Vk∈∂F(xk),(3.2)x^{k+1} = x^k - V_k^{-1}F(x^k), \qquad V_k \in \partial F(x^k), \tag{3.2}xk+1=xk−Vk−1​F(xk),Vk​∈∂F(xk),(3.2)

where any element of ∂F(xk)\partial F(x^k)∂F(xk) may be chosen at each step. A run is a pair of sequences (xk)(x^k)(xk), (Vk)(V_k)(Vk​) with Vk∈∂F(xk)V_k \in \partial F(x^k)Vk​∈∂F(xk) and Vk(xk+1−xk)=−F(xk)V_k(x^{k+1}-x^k) = -F(x^k)Vk​(xk+1−xk)=−F(xk) for all kkk. A root x∗x^*x∗ (F(x∗)=0F(x^*) = 0F(x∗)=0) is regular when every V∈∂F(x∗)V \in \partial F(x^*)V∈∂F(x∗) is nonsingular.

Formalization targets

Goal: Theorem 3.2, local superlinear convergence

Let FFF be locally Lipschitz, F(x∗)=0F(x^*) = 0F(x∗)=0, FFF semismooth at x∗x^*x∗, and every V∈∂F(x∗)V \in \partial F(x^*)V∈∂F(x∗) nonsingular. Then there is δ>0\delta > 0δ>0 such that every V∈∂F(y)V \in \partial F(y)V∈∂F(y) with ∥y−x∗∥<δ\|y - x^*\| < \delta∥y−x∗∥<δ is nonsingular, a Newton step from such a yyy stays within δ\deltaδ of x∗x^*x∗, and every run with ∥x0−x∗∥<δ\|x^0 - x^*\| < \delta∥x0−x∗∥<δ satisfies

xk→x∗,∥xk+1−x∗∥=o(∥xk−x∗∥).x^k \to x^*, \qquad \|x^{k+1} - x^*\| = o(\|x^k - x^*\|).xk→x∗,∥xk+1−x∗∥=o(∥xk−x∗∥).

The goal asserts only the shape of the convergence (superlinear) and fixes no constants.

Stronger: Theorem 3.2, order 1+p1 + p1+p

If moreover FFF is ppp-order semismooth at x∗x^*x∗, 0<p≤10 < p \le 10<p≤1, there are δ>0\delta > 0δ>0 and CCC with

∥xk+1−x∗∥≤C∥xk−x∗∥1+p\|x^{k+1} - x^*\| \le C\|x^k - x^*\|^{1+p}∥xk+1−x∗∥≤C∥xk−x∗∥1+p

for every run started within δ\deltaδ of x∗x^*x∗.

Milestones

The milestones follow the paper's route: Proposition 2.1 (the limit in the definition of semismoothness is the directional derivative), Lemma 2.2 (Lipschitz continuity of F′(x;⋅)F'(x;\cdot)F′(x;⋅) and its realisation by an element of ∂F(x)\partial F(x)∂F(x)), Theorem 2.3 (semismoothness is equivalent to Vh−F′(x;h)=o(∥h∥)Vh - F'(x;h) = o(\|h\|)Vh−F′(x;h)=o(∥h∥) and to the corresponding condition at differentiability points), the Remark's expansion (2.17), Proposition 3.1 (uniform invertibility near a regular point), the order-(1+p)(1+p)(1+p) sentence of Theorem 3.2, and Corollary 2.5 (strong Fréchet differentiability implies semismoothness).

Significance

The theorem gives a locally superlinearly convergent method for Lipschitz equations with no smoothness beyond semismoothness at the root. Convex, smooth and subsmooth functions are semismooth, as are sums and scalar products of semismooth functions (the paper, citing Mifflin), and later work showed that the complementarity and KKT reformulations on which semismooth Newton solvers are built are semismooth as well; the order-(1+p)(1+p)(1+p) variant gives local quadratic convergence for strongly semismooth maps. Mission II of this series treats the paper's global convergence theorem on a ball, and Mission III the semismoothness of augmented Lagrangian gradients, which supplies the application.

The results are proved in the paper. No machine-checked version of the generalized Jacobian, of semismoothness or of the nonsmooth Newton method is known to exist in Mathlib or on this platform; the platform's formalized Newton results concern one-dimensional C2C^2C2 functions (MetodosNumericos.newton_local_convergence) and smooth convex minimization. A complete development would provide the first formal library for Clarke's generalized Jacobian and semismooth maps.

Difficulty

The classical Newton proof compares F(xk)F(x^k)F(xk) with its linearization JF(x∗)(xk−x∗)JF(x^*)(x^k - x^*)JF(x∗)(xk−x∗) and uses continuity of the Jacobian at x∗x^*x∗. Here neither is available: FFF need not be differentiable at x∗x^*x∗ or at any iterate, the element VkV_kVk​ is chosen arbitrarily from a set, and VkV_kVk​ need not be close to any fixed linear map. The comparison has to go through the directional derivative F′(x∗;⋅)F'(x^*; \cdot)F′(x∗;⋅), which is only positively homogeneous, not linear. The analytic content therefore sits in Section 2: showing that semismoothness, defined through a limit over a set-valued map, controls Vh−F′(x;h)Vh - F'(x;h)Vh−F′(x;h) uniformly in the direction, and that F(x+h)−F(x)−F′(x;h)F(x+h) - F(x) - F'(x;h)F(x+h)−F(x)−F′(x;h) is small. Both rest on Clarke's mean-value inclusion and on compactness and upper semicontinuity of ∂F\partial F∂F, none of which is in Mathlib. The superlinear rate also requires a uniform bound on ∥V−1∥\|V^{-1}\|∥V−1∥ in a whole neighbourhood, not just at x∗x^*x∗.

Formalization scope

Everything lives in the namespace NonsmoothNewton.Local. Section 2 results are stated for maps between finite-dimensional real normed spaces E→GE \to GE→G (the paper's Rn→Rm\mathbb R^n \to \mathbb R^mRn→Rm is the Euclidean instance); Section 3 results use EuclideanSpace ℝ (Fin n). Conventions fixed by the Lean statements:

  • JFJFJF is fderiv; the generalized Jacobian is the convex hull (no closure) of limits of fderiv along sequences xi→xx_i \to xxi​→x of differentiability points.
  • F′(x;h)F'(x;h)F′(x;h) is the one-sided limit over t↓0t \downarrow 0t↓0, never the two-sided lineDeriv; its value is a limUnder, used only where existence is a hypothesis or a consequence.
  • Nonsingular means IsUnit in the ring of continuous linear endomorphisms; ∥V−1∥≤C\|V^{-1}\| \le C∥V−1∥≤C is a two-sided inverse of operator norm at most CCC.
  • A run of (3.2) is encoded by the linear equation Vk(xk+1−xk)=−F(xk)V_k(x^{k+1} - x^k) = -F(x^k)Vk​(xk+1−xk)=−F(xk) with Vk∈∂F(xk)V_k \in \partial F(x^k)Vk​∈∂F(xk); all choices of VkV_kVk​ are quantified, and δ\deltaδ is chosen before the run.
  • Pinned asymptotics. The goal's rate is the proof's display (3.3), stated as IsLittleO along atTop; the printed Theorem 3.2 states only well-definedness and convergence. "Order 1+p1+p1+p" is pinned as ∥xk+1−x∗∥≤C∥xk−x∗∥1+p\|x^{k+1}-x^*\| \le C\|x^k-x^*\|^{1+p}∥xk+1−x∗∥≤C∥xk−x∗∥1+p with δ\deltaδ and CCC uniform over runs. Every o(∥h∥)o(\|h\|)o(∥h∥) in (2.8), (2.9) and (2.17) is its ε\varepsilonε–δ\deltaδ form with a non-strict inequality ≤ε∥h∥\le \varepsilon\|h\|≤ε∥h∥, and every O(∥h∥1+p)O(\|h\|^{1+p})O(∥h∥1+p) is an explicit constant and radius.
  • The standing assumptions "FFF locally Lipschitzian" of Sections 2 and 3 are hypotheses of every statement.
  • The strong Fréchet derivative of Corollary 2.5 is Mathlib's HasStrictFDerivAt, which corrects the misprint F(x)F(x)F(x) for F(z)F(z)F(z) in the paper's display (2.16).

A trivializing formalization is ruled out: the update is not written with a junk inverse (which would make a singular step "well defined"), the generalized Jacobian is the paper's nonempty set rather than one that could be empty, and the theorem quantifies over every run rather than asserting that some run converges.

A complete development needs Clarke's mean-value inclusion (2.2), compactness and upper semicontinuity of ∂F\partial F∂F for locally Lipschitz maps (via Rademacher's theorem, available in Mathlib), and perturbation bounds for inverses of linear maps. The generalized-Jacobian and semismoothness layer is reusable beyond this mission, in particular for Missions II and III of this series. Contributions of proofs of any milestone, and of general lemmas about ∂F\partial F∂F, are welcome.

Selected references

  • L. Qi, J. Sun, A nonsmooth version of Newton's method, Mathematical Programming 58 (1993) 353–367. https://doi.org/10.1007/BF01581275
  • F. H. Clarke, Optimization and Nonsmooth Analysis, Wiley, 1983 (SIAM reprint 1990). https://doi.org/10.1137/1.9781611971309
  • R. Mifflin, Semismooth and semiconvex functions in constrained optimization, SIAM Journal on Control and Optimization 15 (1977) 959–972. https://doi.org/10.1137/0315061
  • J.-S. Pang, Newton's method for B-differentiable equations, Mathematics of Operations Research 15 (1990) 311–341. https://doi.org/10.1287/moor.15.2.311
  • J. M. Ortega, W. C. Rheinboldt, Iterative Solution of Nonlinear Equations in Several Variables, Academic Press, 1970 (SIAM reprint 2000). https://doi.org/10.1137/1.9780898719468
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Updating Quasi-Newton Matrices with Limited Storage: The Limited-Storage BFGS Method Reaches the Minimizer of a Strictly Convex Quadratic in at Most n StepsResearch Paper

Motivation

Quasi-Newton methods minimize a smooth function fff on Rn\mathbb{R}^nRn by moving along dk=−Hkgkd_k = -H_k g_kdk​=−Hk​gk​, where gkg_kgk​ is the gradient and HkH_kHk​ is an approximation of the inverse Hessian built from observed gradient differences. The BFGS update is the most widely used way of building HkH_kHk​, but it stores a dense n×nn \times nn×n matrix, which is prohibitive for large nnn.

Nocedal's 1980 paper (Math. Comp. 35, 773–782) proposed keeping only the last mmm correction pairs and rebuilding the matrix from a simple initial matrix H0H_0H0​ at every step. The resulting method, called SQN in the paper, is now known as L-BFGS, and it is the default large-scale unconstrained optimizer in many numerical libraries and in machine learning. The paper's main theoretical claim is that this truncation does not destroy the finite termination of BFGS on quadratics.

Timeline:

  • 1970: Broyden, Fletcher, Goldfarb and Shanno introduce the BFGS update (references [1] and [5] of the paper).
  • 1977: Nazareth relates BFGS to conjugate gradients (Argonne Tech. Memo 282, reference [7]); his form of preconditioned conjugate gradients is the one the paper uses.
  • 1977–1978: Shanno studies the memoryless BFGS update, the case m=1m = 1m=1 (reference [11]; journal version Math. Oper. Res. 3, 1978).
  • 1980: Nocedal defines the special BFGS matrices and the SQN method and states that on quadratics with exact line searches SQN is identical to preconditioned conjugate gradients, hence has quadratic termination.
  • 1989: Liu and Nocedal (Math. Programming 45) study the method, now called L-BFGS, for large-scale problems.
  • 1998: Kolda, O'Leary and Nazareth (SIAM J. Optim. 8) treat limited-memory and update-skipping BFGS variants with exact line searches on quadratics.

Setting

Let AAA be a symmetric positive definite n×nn \times nn×n matrix and b∈Rnb \in \mathbb{R}^nb∈Rn, and let f(x)=12xTAx+bTxf(x) = \tfrac12 x^T A x + b^T xf(x)=21​xTAx+bTx, a strictly convex quadratic with gradient g(x)=Ax+bg(x) = Ax + bg(x)=Ax+b and unique minimizer x∗=−A−1bx^\ast = -A^{-1} bx∗=−A−1b.

Exact line search. Along a direction d≠0d \neq 0d=0 from xxx, the step α=−g(x)Td/dTAd\alpha = -g(x)^T d / d^T A dα=−g(x)Td/dTAd minimizes f(x+αd)f(x + \alpha d)f(x+αd).

BFGS update. For a pair (s,y)(s, y)(s,y) with ρ=1/yTs\rho = 1/y^T sρ=1/yTs and v=I−ρysTv = I - \rho y s^Tv=I−ρysT, the BFGS update of HHH is

Hˉ=vTHv+ρssT.\bar H = v^T H v + \rho s s^T .Hˉ=vTHv+ρssT.

Special BFGS matrices. Fix H0H_0H0​ symmetric positive definite and a number m≥1m \ge 1m≥1 of stored corrections. Given pairs (sj,yj)(s_j, y_j)(sj​,yj​), the special matrix HKH_KHK​ is H0H_0H0​ updated by the pairs j=K−min⁡(K,m),…,K−1j = K - \min(K, m), \dots, K-1j=K−min(K,m),…,K−1, oldest first (the paper's (4)–(5)). Only the mmm most recent pairs enter, and the matrix is rebuilt from H0H_0H0​.

SQN. Starting from x0x_0x0​, with gi=g(xi)g_i = g(x_i)gi​=g(xi​):

di=−Higi,xi+1=xi+αidi,si=xi+1−xi,yi=gi+1−gi,d_i = -H_i g_i, \qquad x_{i+1} = x_i + \alpha_i d_i, \qquad s_i = x_{i+1} - x_i,\quad y_i = g_{i+1} - g_i,di​=−Hi​gi​,xi+1​=xi​+αi​di​,si​=xi+1​−xi​,yi​=gi+1​−gi​,

with αi\alpha_iαi​ the exact step and Hi+1H_{i+1}Hi+1​ the special matrix built from the last min⁡(i+1,m)\min(i+1, m)min(i+1,m) pairs.

PCG with fixed preconditioner H0H_0H0​. d0=−H0g0d_0 = -H_0 g_0d0​=−H0​g0​, xi+1=xi+αidix_{i+1} = x_i + \alpha_i d_ixi+1​=xi​+αi​di​, di+1=−H0gi+1+βi+1did_{i+1} = -H_0 g_{i+1} + \beta_{i+1} d_idi+1​=−H0​gi+1​+βi+1​di​ with βi+1=yiTH0gi+1/yiTdi\beta_{i+1} = y_i^T H_0 g_{i+1} / y_i^T d_iβi+1​=yiT​H0​gi+1​/yiT​di​.

Formalization targets

Goal: quadratic termination of SQN

For every nnn, every symmetric positive definite AAA and H0H_0H0​, every bbb, x0x_0x0​ and every m≥1m \ge 1m≥1,

∃ k≤n:Axk+b=0,\exists\, k \le n : \quad A x_k + b = 0 ,∃k≤n:Axk​+b=0,

where xkx_kxk​ are the SQN iterates. The statement fixes no constant beyond the dimension bound nnn.

Milestones

  1. Property (a): the special matrices are positive definite whenever yiTsi>0y_i^T s_i > 0yiT​si​>0 for all iii.
  2. Eq. (7): along conjugate steps, viyi=0v_i y_i = 0vi​yi​=0 and viyj=yjv_i y_j = y_jvi​yj​=yj​ for i>ji > ji>j.
  3. Eq. (6): along conjugate steps, Hkyj=sjH_k y_j = s_jHk​yj​=sj​ for the mmm most recent jjj (when k>mk > mk>m).
  4. Eq. (10): the special matrix equals mmm sum-form BFGS corrections applied to H0H_0H0​.
  5. Eq. (15): the PCG directions satisfy diTyj=0d_i^T y_j = 0diT​yj​=0 for i≠ji \neq ji=j.
  6. Eq. (16): giTH0gj=0g_i^T H_0 g_j = 0giT​H0​gj​=0 for i≠ji \neq ji=j and giTdj=0g_i^T d_j = 0giT​dj​=0 for j<ij < ij<i.
  7. The PCG with fixed preconditioner H0H_0H0​ reaches the minimizer in at most nnn steps.
  8. SQN and this PCG produce identical iterates and directions at every step.

Significance

The result shows that storing only mmm correction pairs costs nothing on quadratics: for any m≥1m \ge 1m≥1, SQN terminates in at most nnn steps, like full BFGS and conjugate gradients. It explains why L-BFGS with small mmm is competitive, and it is the model case for later analyses of limited-memory methods (their linear convergence on uniformly convex functions, and their relation to Krylov methods). Property (b) is the reason one expects efficiency to grow with mmm: the matrix satisfies the secant equation on the mmm most recent directions.

The claims are classical and generally accepted, but the paper argues them in a few lines ("it is straightforward to show"), deferring the PCG facts (15)–(16) to a reference. No machine-checked proof of the termination of BFGS, L-BFGS or preconditioned conjugate gradients is known to this mission. A formalization would provide a verified model of L-BFGS on quadratics and a reusable development of conjugate-direction methods with a preconditioner.

Difficulty

The obvious route, "SQN is BFGS and BFGS terminates", fails: SQN discards old corrections, so the classical BFGS argument (hereditary secant conditions on all past directions) does not apply once more than mmm steps have been taken. The paper asserts the identity of SQN with preconditioned conjugate gradients in one sentence ("using a similar argument as for the SCG"), and the PCG relations it relies on are quoted from a technical report. The other difficulty is bookkeeping: the window of stored pairs shifts, the matrix is a nested product, and the runs must remain meaningful after the minimizer is reached.

Formalization scope

Vectors are Fin n → ℝ, matrices Matrix (Fin n) (Fin n) ℝ, xTyx^T yxTy is dotProduct, and syTs y^TsyT is Matrix.vecMulVec. Symmetric positive definiteness is Matrix.PosDef. Indices are 0-based, as in the paper. The exact line search is the closed-form step −gTd/dTAd-g^T d / d^T A d−gTd/dTAd. The iterations have no stopping rule: once the gradient vanishes the direction and step are zero and the iterate stays at the minimizer (Lean's 0/0=00/0 = 00/0=0). Past that point the zero pair stored by SQN leaves the BFGS step unchanged. The hypotheses are exactly the paper's: A≻0A \succ 0A≻0, H0≻0H_0 \succ 0H0​≻0, m≥1m \ge 1m≥1 and exact line searches. H0H_0H0​ need not be diagonal.

Two misprints are corrected and flagged in the items: the denominator of β\betaβ in (13) is yi−1Tdi−1y_{i-1}^T d_{i-1}yi−1T​di−1​ (as in (12) and p. 778), and the second relation of (16) is stated for j<ij < ij<i (as used on p. 778), since it fails for i<ji < ji<j.

Ruled out: SQN is defined through its own matrices (4)–(5), rebuilt from H0H_0H0​ and the last mmm pairs. It is not defined through the PCG recurrence, not by one BFGS update of the previous matrix, and not with a stop rule that returns −A−1b-A^{-1}b−A−1b. The standing assumption ykTsk>0y_k^T s_k > 0ykT​sk​>0 is not a hypothesis of any statement about a run (it fails after termination and would make the goal vacuous). With m=0m = 0m=0 SQN is steepest descent and the goal is false, so m≥1m \ge 1m≥1 is required.

Needed infrastructure: algebra of rank-one updates and of Matrix.PosDef under congruence, conjugate-direction lemmas for quadratics, and the fact that n+1n+1n+1 mutually H0H_0H0​-orthogonal vectors in Rn\mathbb{R}^nRn include a zero vector. The PCG results (milestones 5–7) are reusable beyond this mission. Proofs of any milestone, or of the goal directly, are welcome.

Selected references

  • J. Nocedal, Updating Quasi-Newton Matrices with Limited Storage, Mathematics of Computation 35(151), 1980, 773–782. https://doi.org/10.1090/s0025-5718-1980-0572855-7
  • 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
  • L. Nazareth, A Relationship Between the BFGS and Conjugate Gradient Algorithms, ANL-AMD Tech. Memo 282 (rev.), Argonne National Laboratory, 1977 (reference [7] of Nocedal 1980; no online copy located).
  • T. G. Kolda, D. P. O'Leary, L. Nazareth, BFGS with update skipping and varying memory, SIAM Journal on Optimization 8(4), 1998, 1060–1083. https://doi.org/10.1137/S1052623496306450
  • D. C. Liu, J. Nocedal, On the limited memory BFGS method for large scale optimization, Mathematical Programming 45, 1989, 503–528. https://doi.org/10.1007/BF01589116
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Methods of Conjugate Gradients for Solving Linear Systems II: Each Conjugate Gradient Step Shortens the Error VectorResearch Paper

Motivation

The conjugate gradient method (cg-method) of Hestenes and Stiefel is the standard iterative solver for linear systems Ax=kAx=kAx=k with a symmetric positive definite matrix AAA. It is used for the large sparse systems of finite-element and finite-difference discretizations, as the inner solver of Newton-type and interior-point methods in optimization, and as the prototype of the Krylov subspace methods. Its original 1952 paper (Hestenes and Stiefel, J. Res. NBS 49(6), 1952) already presented it as two things at once: a direct method that reaches the exact solution in at most nnn steps, and a method of successive approximations whose intermediate estimates are useful in their own right.

The second view needs a guarantee that the intermediate estimates actually approach the solution. The method is built to decrease the AAA-weighted error f(x)=(h−x,A(h−x))f(x)=(h-x,A(h-x))f(x)=(h−x,A(h−x)), and the residual ∣k−Axi∣|k-Ax_i|∣k−Axi​∣ need not decrease (Section 18 of the paper, p. 432, notes that it can increase at every step). Theorem 6:3 of the paper supplies the guarantee in the plain Euclidean length: the distance ∣h−xi∣|h-x_i|∣h−xi​∣ from the estimate to the solution decreases strictly at every step, by an exactly computable amount. This mission formalizes that theorem together with the relations from Sections 5 and 6 of the paper on which its proof rests.

Timeline:

  • 1952: Hestenes and Stiefel introduce the method and prove, in one paper, finite termination (Theorems 4:2 and 5:2), the monotone decrease of the error function fff (Theorem 6:1), and the monotone decrease of the Euclidean error (Theorem 6:3). The later literature on cg as an iterative method for large sparse systems takes these properties as its starting point.

Setting

Let AAA be a real n×nn\times nn×n matrix that is symmetric and positive definite, let k∈Rnk\in\mathbb{R}^nk∈Rn, and let hhh be the solution of Ah=kAh=kAh=k. Write (x,y)=x1y1+⋯+xnyn(x,y)=x_1y_1+\cdots+x_ny_n(x,y)=x1​y1​+⋯+xn​yn​ and ∣x∣2=(x,x)|x|^2=(x,x)∣x∣2=(x,x). From an arbitrary starting point x0x_0x0​, the cg-method (5:1) computes estimates xix_ixi​, residuals rir_iri​ and direction vectors pip_ipi​ by

p0=r0=k−Ax0,ai=∣ri∣2(pi,Api),xi+1=xi+aipi,ri+1=ri−aiApi,bi=∣ri+1∣2∣ri∣2,pi+1=ri+1+bipi.p_0=r_0=k-Ax_0,\quad a_i=\frac{|r_i|^2}{(p_i,Ap_i)},\quad x_{i+1}=x_i+a_ip_i,\quad r_{i+1}=r_i-a_iAp_i,\quad b_i=\frac{|r_{i+1}|^2}{|r_i|^2},\quad p_{i+1}=r_{i+1}+b_ip_i .p0​=r0​=k−Ax0​,ai​=(pi​,Api​)∣ri​∣2​,xi+1​=xi​+ai​pi​,ri+1​=ri​−ai​Api​,bi​=∣ri​∣2∣ri+1​∣2​,pi+1​=ri+1​+bi​pi​.

The error vector of xix_ixi​ is yi=h−xiy_i=h-x_iyi​=h−xi​. The error function (4:5) is f(x)=(h−x,A(h−x))f(x)=(h-x,A(h-x))f(x)=(h−x,A(h−x)), which is nonnegative and vanishes only at x=hx=hx=h. The Rayleigh quotient (4:12) of a vector z≠0z\neq 0z=0 is μ(z)=(z,Az)/∣z∣2\mu(z)=(z,Az)/|z|^2μ(z)=(z,Az)/∣z∣2. The Lean development names these cgIter A k x₀ i (with fields .x, .r, .p), cgAlpha for aia_iai​, errorFun A h x and rayleigh A z.

Formalization targets

Goal: Theorem 6:3

For every step that the method performs, that is, every iii with ri≠0r_i\neq 0ri​=0,

∣yi∣2−∣yi+1∣2=f(xi+1)+f(xi)μ(pi)and∣yi+1∣<∣yi∣.|y_i|^2-|y_{i+1}|^2=\frac{f(x_{i+1})+f(x_i)}{\mu(p_i)}\qquad\text{and}\qquad |y_{i+1}|<|y_i| .∣yi​∣2−∣yi+1​∣2=μ(pi​)f(xi+1​)+f(xi​)​and∣yi+1​∣<∣yi​∣.

The paper writes the step from xi−1x_{i-1}xi−1​ to xix_ixi​; the Lean statement shifts the index by one. The goal holds for every dimension nnn, every symmetric positive definite AAA, every kkk and every x0x_0x0​.

Milestones

  1. Theorems 4:2 and 5:2: some m≤nm\le nm≤n has xm=hx_m=hxm​=h.
  2. Theorem 5:3, (5:6a): (pi,pj)=∣rj∣2∣pi∣2/∣ri∣2(p_i,p_j)=|r_j|^2|p_i|^2/|r_i|^2(pi​,pj​)=∣rj​∣2∣pi​∣2/∣ri​∣2 for i≤ji\le ji≤j.
  3. Theorem 6:1, (6:1): f(xi)−f(xi+1)=ai∣ri∣2=μ(pi)∣xi−xi+1∣2f(x_i)-f(x_{i+1})=a_i|r_i|^2=\mu(p_i)|x_i-x_{i+1}|^2f(xi​)−f(xi+1​)=ai​∣ri​∣2=μ(pi​)∣xi​−xi+1​∣2.
  4. Theorem 6:1, (6:2): f(xi)−f(xj)=∑l=ij−1al∣rl∣2f(x_i)-f(x_j)=\sum_{l=i}^{j-1}a_l|r_l|^2f(xi​)−f(xj​)=∑l=ij−1​al​∣rl​∣2 for i<ji<ji<j.
  5. Section 6, (6:6): (yi+1,xi+1−xi)=f(xi+1)/μ(pi)(y_{i+1},x_{i+1}-x_i)=f(x_{i+1})/\mu(p_i)(yi+1​,xi+1​−xi​)=f(xi+1​)/μ(pi​).

Significance

The theorem is what makes an early stop of the cg-method safe in the norm a user usually cares about. Every intermediate estimate is closer to the solution, in Euclidean distance, than the previous one, and the identity (6:5) states by how much. It also separates the cg-method from methods that minimize the residual: the AAA-norm error, the Euclidean error and the residual behave differently, and only the first two are monotone along cg.

The results are proved in the 1952 paper. They have not been formalized: the Prove2Me library has no statement of the conjugate gradient recursion (5:1), and Mathlib has none either. What this mission adds is a machine-checked version of the paper's Section 6 argument for the recursion exactly as printed, including the case analysis at termination that the paper leaves implicit, and a reusable Lean definition of the cg iteration with its basic identities.

Difficulty

The obvious argument does not reach the conclusion. The method decreases f(x)=(y,Ay)f(x)=(y,Ay)f(x)=(y,Ay) at every step, but a decrease in this AAA-weighted norm does not imply a decrease in the Euclidean norm: for a single step along an arbitrary direction, even the best step for fff can lengthen the Euclidean error. So the theorem cannot be proved one step at a time from the local minimization property. It depends on how the current direction relates to all the later directions of the same run, and those relations in turn rest on the mutual orthogonality of the residuals and the conjugacy of the directions, which are established by an induction over the whole run.

A second difficulty is bookkeeping at the end of the run. The recursion divides by ∣ri∣2|r_i|^2∣ri​∣2 and by (pi,Api)(p_i,Ap_i)(pi​,Api​), which vanish after termination. Every milestone has to hold, or be guarded, past that point, and the goal needs the hypothesis ri≠0r_i\neq 0ri​=0 exactly because the strict inequality fails once xi=hx_i=hxi​=h.

Formalization scope

Vectors are Fin n → ℝ, the scalar product is dotProduct (⬝ᵥ), AxAxAx is Matrix.mulVec (*ᵥ), and the standing assumption is A.PosDef, which in Mathlib includes symmetry. The solution hhh is a variable with the hypothesis A *ᵥ h = k. Indices are 0-based. The cg recursion is the definition cgIter, which computes (5:1b)–(5:1f) literally and in order; it has no stopping rule, and Lean's convention t/0=0t/0=0t/0=0 makes it stay at hhh with ri=pi=0r_i=p_i=0ri​=pi​=0 once rm=0r_m=0rm​=0. Lengths appear squared, as (y,y)(y,y)(y,y). The milestones are stated for every index without a termination guard, because both sides of each identity vanish after termination; only the goal carries ri≠0r_i\neq 0ri​=0.

Two formalizations would trivialize the goal and are ruled out. The goal does not assume termination (xm=hx_m=hxm​=h) or any bound on iii: it quantifies over every cg run and every step that takes place. And it is about the Euclidean length ∣h−xi∣|h-x_i|∣h−xi​∣, not the error function fff (that is Theorem 6:1, a different and weaker statement) and not the residual.

A complete development needs Theorem 5:1 (orthogonality of residuals, conjugacy of directions) for the literal recursion, the identities (5:2) and (5:3c), and the positivity of (p,Ap)(p,Ap)(p,Ap) for p≠0p\neq 0p=0. These are reusable for any further work on the cg-method, including the sister mission on finite termination. Proofs of any milestone, and alternative proofs of Theorem 6:3 through the Krylov-subspace characterization, are welcome.

Selected references

  • M. R. Hestenes and E. Stiefel, Methods of Conjugate Gradients for Solving Linear Systems, J. Res. Natl. Bur. Stand. 49(6), 409–436, 1952. https://doi.org/10.6028/jres.049.044 (publisher's scan: https://nvlpubs.nist.gov/nistpubs/jres/049/jresv49n6p409_A1b.pdf)
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Linear algebraOperations ResearchOptimization·Captain: mikedeng1

Methods of Conjugate Gradients for Solving Linear Systems I: Finite Termination of the Conjugate Gradient MethodResearch Paper

Motivation

Solving a linear system Ax=kAx = kAx=k with a large symmetric positive definite matrix AAA is a basic task of scientific computing: it arises from discretized elliptic equations, least-squares problems and the Newton steps of optimization methods. In 1952 Magnus Hestenes and Eduard Stiefel published the conjugate gradient method (cg-method) (J. Res. Natl. Bur. Stand. 49 (1952) 409–436). The method uses AAA only through matrix–vector products and stores a few vectors. The paper's abstract states its central property in one sentence: "The solution is given in nnn steps."

The paper obtains this property from a more general scheme, the method of conjugate directions (cd-method), which also contains Gaussian elimination as a special case. Its argument has two parts. Every cd-method with nonzero directions reaches the solution within nnn steps (Theorem 4:2). The cg-method is a cd-method (Theorem 5:2), which follows from the orthogonality and conjugacy relations of Theorem 5:1. This mission formalizes that chain.

Setting

Vectors are real nnn-tuples, with scalar product (x,y)=x1y1+⋯+xnyn(x, y) = x_1y_1 + \cdots + x_ny_n(x,y)=x1​y1​+⋯+xn​yn​ and squared length ∣x∣2=(x,x)|x|^2 = (x, x)∣x∣2=(x,x). The matrix AAA is real, n×nn \times nn×n, symmetric and positive definite, which is the paper's standing assumption (p. 410). The solution hhh satisfies Ah=kAh = kAh=k. The residual of an estimate xxx is r=k−Axr = k - Axr=k−Ax. Two vectors x,yx, yx,y are conjugate when (x,Ay)=0(x, Ay) = 0(x,Ay)=0.

The cg-method (eq. (3:1), p. 411) starts from an arbitrary estimate x0x_0x0​ and sets p0=r0=k−Ax0p_0 = r_0 = k - Ax_0p0​=r0​=k−Ax0​. Given xix_ixi​, rir_iri​, pip_ipi​, it computes

ai=∣ri∣2(pi,Api),xi+1=xi+aipi,ri+1=ri−aiApi,bi=∣ri+1∣2∣ri∣2,pi+1=ri+1+bipi.a_i = \frac{|r_i|^2}{(p_i, Ap_i)},\quad x_{i+1} = x_i + a_i p_i,\quad r_{i+1} = r_i - a_i Ap_i,\quad b_i = \frac{|r_{i+1}|^2}{|r_i|^2},\quad p_{i+1} = r_{i+1} + b_i p_i.ai​=(pi​,Api​)∣ri​∣2​,xi+1​=xi​+ai​pi​,ri+1​=ri​−ai​Api​,bi​=∣ri​∣2∣ri+1​∣2​,pi+1​=ri+1​+bi​pi​.

In Lean the iterates are cgIter A k x₀ i, a structure with fields x, r, p. The step length is cgA.

The cd-method (Section 4, p. 412) chooses an arbitrary first direction p0p_0p0​ and then sets xi+1=xi+aipix_{i+1} = x_i + a_i p_ixi+1​=xi​+ai​pi​ with ai=(pi,ri)/(pi,Api)a_i = (p_i, r_i)/(p_i, Ap_i)ai​=(pi​,ri​)/(pi​,Api​) and ri=k−Axir_i = k - Ax_iri​=k−Axi​. Each new direction pi+1p_{i+1}pi+1​ may be any vector conjugate to p0,…,pip_0, \dots, p_ip0​,…,pi​. Because the directions are free, a cd-run is a property of sequences: IsCDRun A k x r p.

Formalization targets

Goal: finite termination of the cg-method

For every nnn, every symmetric positive definite AAA, every kkk and hhh with Ah=kAh = kAh=k, and every initial estimate x0x_0x0​,

∃ m≤n:xm=h,\exists\, m \le n:\quad x_m = h,∃m≤n:xm​=h,

where xmx_mxm​ is the mmm-th cg iterate. This is the statement of the abstract and of Section 3 (p. 410): "one will reach an estimate xmx_mxm​ (m≤nm \le nm≤n) at which rm=0r_m = 0rm​=0. This estimate is the desired solution hhh."

Milestones

  1. Theorem 4:1 (p. 412). For every cd-run, the directions are mutually conjugate (4:3a). The residual rir_iri​ is orthogonal to p0,…,pi−1p_0, \dots, p_{i-1}p0​,…,pi−1​ (4:3b). The products (pi,rj)(p_i, r_j)(pi​,rj​) are the same for all j≤ij \le ij≤i (4:3c). Hence ai=(pi,r0)/(pi,Api)a_i = (p_i, r_0)/(p_i, Ap_i)ai​=(pi​,r0​)/(pi​,Api​) (4:4).
  2. Theorem 4:2 (p. 412). Every cd-run whose directions p0,…,pn−1p_0, \dots, p_{n-1}p0​,…,pn−1​ are nonzero has xm=hx_m = hxm​=h for some m≤nm \le nm≤n.
  3. Theorem 5:1 (p. 414), in four items. For the cg-method:
    • (5:3a) (ri,rj)=0(r_i, r_j) = 0(ri​,rj​)=0 for i≠ji \ne ji=j;
    • (5:3b) (pi,Apj)=0(p_i, Ap_j) = 0(pi​,Apj​)=0 for i≠ji \ne ji=j;
    • (5:3c) (pi,rj)=0(p_i, r_j) = 0(pi​,rj​)=0 for i<ji < ji<j and (pi,rj)=∣ri∣2(p_i, r_j) = |r_i|^2(pi​,rj​)=∣ri​∣2 for i≥ji \ge ji≥j;
    • (5:3d) (ri,Api)=(pi,Api)(r_i, Ap_i) = (p_i, Ap_i)(ri​,Api​)=(pi​,Api​), and (ri,Apj)=0(r_i, Ap_j) = 0(ri​,Apj​)=0 for i≠j,j+1i \ne j, j + 1i=j,j+1.
  4. Theorem 5:5, eq. (5:10) (p. 416):
ai=∣ri∣2(pi,Api)=(pi,ri)(pi,Api)=(pi,r0)(pi,Api).a_i = \frac{|r_i|^2}{(p_i, Ap_i)} = \frac{(p_i, r_i)}{(p_i, Ap_i)} = \frac{(p_i, r_0)}{(p_i, Ap_i)}.ai​=(pi​,Api​)∣ri​∣2​=(pi​,Api​)(pi​,ri​)​=(pi​,Api​)(pi​,r0​)​.
  1. Theorem 5:2, first sentence (p. 415). The cg-method is a cd-method: its iterates satisfy IsCDRun.

Significance

Finite termination is the property that distinguishes the conjugate gradient method from stationary iterations such as Jacobi or Gauss–Seidel. It explains why the method can be used as a direct solver in exact arithmetic. It is the starting point for the later theory of Krylov subspace methods. The relations of Theorem 5:1 are the checks the paper recommends for monitoring a computation (eq. (3:3)). They are also the input to the paper's further results on the monotone decrease of the error (Section 6) and on the connection with orthogonal polynomials (Sections 14–18).

The result has been proved since 1952 and appears in every numerical linear algebra textbook. As far as a search of the Prove2Me catalog shows (September 2026), it has no machine-checked proof there. The only conjugate gradient material on the platform is a Hilbert-space convergence result for a different recurrence. This mission adds a faithful formal version of the original recursion (3:1) and of the cd-method. It also adds the complete termination argument, organized as in the paper. The definitions and the Theorem 5:1 relations are reusable by any later formalization of Krylov methods, including the second mission of this series on the decrease of the error ∣h−xi∣|h - x_i|∣h−xi​∣.

Difficulty

The obvious argument says that the residuals are mutually orthogonal, so at most nnn of them are nonzero. That argument is only as good as the orthogonality, and Theorem 5:1 must be established by a simultaneous induction over four families of relations. The recursion defines ri+1r_{i+1}ri+1​ by an update, not as k−Axi+1k - Ax_{i+1}k−Axi+1​, so even ri=k−Axir_i = k - Ax_iri​=k−Axi​ needs a proof. Orthogonality of ri+1r_{i+1}ri+1​ to the earlier residuals needs the conjugacy of the earlier directions, and conjugacy of pi+1p_{i+1}pi+1​ needs the orthogonality of the earlier residuals. Neither family can be proved first.

A second obstacle is the passage from orthogonality to termination. A cd-run with a zero direction stalls, so Theorem 4:2 needs the directions p0,…,pn−1p_0, \dots, p_{n-1}p0​,…,pn−1​ to be nonzero. The cg directions become zero exactly when the solution is reached, so applying Theorem 4:2 to cg needs a case split at the first vanishing residual.

Formalization scope

Vectors are Fin n → ℝ, the scalar product is dotProduct (⬝ᵥ), and AxAxAx is Matrix.mulVec (*ᵥ). The hypothesis on AAA is Mathlib's Matrix.PosDef, which includes symmetry. The solution enters only through the hypothesis A *ᵥ h = k. Indices are 0-based, as in the paper.

The cg iteration is total and has no stopping test. Once rm=0r_m = 0rm​=0, Lean's convention x/0=0x/0 = 0x/0=0 gives pm=0p_m = 0pm​=0 and am=0a_m = 0am​=0. From then on the iteration stays at xmx_mxm​, with zero residuals and directions. For this reason the relations of Theorem 5:1 are stated for all indices without guards: after termination they hold trivially.

Two formulations would make the goal trivial, and neither is used. One is a stopping test or step that refers to hhh or to A−1kA^{-1}kA−1k. The other replaces (3:1b), (3:1d) or (3:1e) by the equivalent formulas (3:2a), (3:2b) or ri+1=k−Axi+1r_{i+1} = k - Ax_{i+1}ri+1​=k−Axi+1​, which would move Theorem 5:5 and part of Theorem 5:2 into the definition. The iteration is (3:1) literally.

The cd-method's implicit hypothesis, that the directions p0,…,pn−1p_0, \dots, p_{n-1}p0​,…,pn−1​ are nonzero, is an explicit binder of Theorem 4:2. Without it the statement fails (take p0=0p_0 = 0p0​=0). The hypothesis is satisfiable: the cg run with nonzero residuals is one example.

A complete development needs the standard facts that mutually conjugate nonzero vectors are linearly independent and that nnn independent vectors span Rn\mathbb{R}^nRn. It also needs the induction behind Theorem 5:1. Contributions welcome beyond the milestones include the converse half of Theorem 5:2, the relation (5:2) expressing pkp_kpk​ through r0,…,rkr_0, \dots, r_kr0​,…,rk​, and Theorem 4:5 (the cd-method computes A−1A^{-1}A−1).

Selected references

  • M. R. Hestenes and E. Stiefel, Methods of Conjugate Gradients for Solving Linear Systems, Journal of Research of the National Bureau of Standards 49(6), 409–436, 1952. https://doi.org/10.6028/jres.049.044
  • L. Fox, H. D. Huskey and J. H. Wilkinson, Notes on the solution of algebraic linear simultaneous equations, Quarterly Journal of Mechanics and Applied Mathematics 1(1), 149–173, 1948 (the cd-method from a different point of view; cited in the paper's Section 4 footnote). https://doi.org/10.1093/qjmam/1.1.149
  • G. H. Golub and C. F. Van Loan, Matrix Computations, 4th ed., Johns Hopkins University Press, 2013, §11.3 (textbook account of the method).
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Algebra·Captain: Lucas

Métodos Numéricos (Freitas) III: Sistemas Lineares e a Convergência de Gauss-SeidelTextbook

Motivation

Linear systems are the inner loop of scientific computing: discretized differential equations, least-squares fitting, network flow balances and equilibrium models all end in Ax=bAx = bAx=b. Direct elimination solves the system exactly in O(n3)O(n^3)O(n3) operations, but for the large sparse systems produced by discretization the cost and the round-off growth make iterative methods preferable: start from an arbitrary vector and apply a cheap update until the residual is small. The question such a method raises is when the iteration converges, and to that the chapter gives a clean sufficient answer: diagonal dominance.

This mission is the third in a series formalizing the lecture notes Métodos Numéricos by Sergio Roberto de Freitas (UFMS, 2000). It covers the iterative part of Chapter 5, Solução de Sistemas Lineares.

Setting

Let A=(aij)A = (a_{ij})A=(aij​) be a real ntimesnn \\times nntimesn matrix and binmathbbRnb \\in \\mathbb{R}^nbinmathbbRn. Assume aiineq0a_{ii} \\neq 0aii​neq0 for all iii.

The Jacobi method computes every coordinate of the new iterate from the old one:

xi(k+1)=frac1aiileft(bi−sumjneqiaijxj(k)right).x_i^{(k+1)} = \\frac{1}{a_{ii}}\\left(b_i - \\sum_{j \\neq i} a_{ij} x_j^{(k)}\\right).xi(k+1)​=frac1aii​left(bi​−sumjneqi​aij​xj(k)​right).

The Gauss-Seidel method updates the coordinates in order i=1,dots,ni = 1, \\dots, ni=1,dots,n and uses the values already updated in the same sweep:

xi(k+1)=frac1aiileft(bi−sumj<iaijxj(k+1)−sumj>iaijxj(k)right).x_i^{(k+1)} = \\frac{1}{a_{ii}}\\left(b_i - \\sum_{j < i} a_{ij}x_j^{(k+1)} - \\sum_{j > i} a_{ij}x_j^{(k)}\\right).xi(k+1)​=frac1aii​left(bi​−sumj<i​aij​xj(k+1)​−sumj>i​aij​xj(k)​right).

Both are instances of an affine iteration x(k+1)=Bx(k)+dx^{(k+1)} = Bx^{(k)} + dx(k+1)=Bx(k)+d associated with an equivalent rewriting Ax=biffx=Bx+dAx = b \\iff x = Bx + dAx=biffx=Bx+d.

The matrix AAA is diagonally dominant when each diagonal entry dominates its row:

∣aii∣>sumjneqi∣aij∣qquad(i=1,dots,n).|a_{ii}| > \\sum_{j \\neq i} |a_{ij}| \\qquad (i = 1, \\dots, n).∣aii​∣>sumjneqi​∣aij​∣qquad(i=1,dots,n).

Target

The goal theorem is Proposição 5.10.1: if AAA is diagonally dominant and x^\\star solves Ax^\\star = b, then the Gauss-Seidel iterates converge to x^\\star from any starting vector.

The milestones are the general facts the source uses to get there: that the limit of a convergent affine iteration is a fixed point of it and hence a solution of the system (Proposição 5.5.1), that a contraction condition lVertBvrVertleclVertvrVert\\lVert Bv \\rVert \\le c\\lVert v \\rVertlVertBvrVertleclVertvrVert with c<1c < 1c<1 forces convergence to the solution (Proposição 5.5.3), and that the Jacobi sweep has exactly the solutions of Ax=bAx = bAx=b as its fixed points (Proposição 5.5.2).

Significance

Diagonal dominance is the hypothesis a practitioner can check by inspection, and it is satisfied by the matrices that come from standard finite-difference stencils, from strictly diagonally dominant collocation systems and from many equilibrium models. The theorem says that for those systems Gauss-Seidel needs no spectral analysis and no preconditioner to be safe: convergence holds from any starting vector. The supporting milestones isolate the two halves of the argument — a fixed-point identification and a contraction estimate — in a form reusable for other splittings (Jacobi, SOR, block variants).

Mathlib has Banach's fixed point theorem and the theory of matrix norms, but not the Gauss-Seidel sweep, the notion of diagonal dominance as used here, or the convergence statement, which is what this mission adds.

Difficulty

Gauss-Seidel is not a plain affine map applied coordinatewise: within one sweep the coordinates are updated sequentially, so the new value of coordinate iii depends on the new values of coordinates j<ij < ij<i. Formalizing the sweep therefore requires a recursion over the coordinate index before the recursion over the iteration counter, and the contraction estimate has to be propagated along that inner recursion. The classical proof compares \\max_i |x_i^{(k+1)} - x_i^\\star| with \\max_i |x_i^{(k)} - x_i^\\star| and needs, for each iii, a bound that already uses the improved bounds for j<ij < ij<i; getting that induction right is the substance of the mission.

Formalization scope

Vectors are functions from a finite index type with nnn elements to mathbbR\\mathbb{R}mathbbR, and convergence is convergence in that finite product space (equivalently, coordinatewise). The Gauss-Seidel sweep is defined through an auxiliary partial sweep: after kkk inner steps the first kkk coordinates carry their new values and the remaining ones their old values, and the full sweep is the partial sweep after nnn steps. The Jacobi sweep is defined directly. Diagonal dominance is the strict inequality above, with the sum taken over the row with the diagonal index removed; for n=0n = 0n=0 every statement is vacuous, and the goal theorem is then trivially true because the space has a single point. Division by the diagonal entry is total division, so the definitions make sense even when aii=0a_{ii} = 0aii​=0; diagonal dominance rules that out, because the right-hand side of the dominance inequality is nonnegative. The goal theorem assumes a solution x^\\star is given rather than asserting its existence, and it asserts convergence for every starting vector, generalizing the source's choice x(0)=0x^{(0)} = 0x(0)=0. The contraction milestone states the consistency of the norms as the hypothesis lVertBvrVertleclVertvrVert\\lVert Bv \\rVert \\le c \\lVert v \\rVertlVertBvrVertleclVertvrVert in the supremum norm rather than fixing a particular matrix norm.

Selected references

  • S. R. Freitas, Métodos Numéricos, Departamento de Computação e Estatística, Universidade Federal de Mato Grosso do Sul, 2000. Chapter 5, Solução de Sistemas Lineares, pp. 85–118. (Course notes supplied with this mission.)
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Analysis·Captain: Lucas

Métodos Numéricos (Freitas) I: Zeros de Funções e Convergência do Método de NewtonTextbook

Motivation

Most equations that arise in applications cannot be solved in closed form: the age of the Moon from a radioactive-decay balance, the deflection of a clamped beam, the equilibrium of a catenary, all reduce to solving f(x)=0f(x) = 0f(x)=0 for a function fff with no algebraic inverse. A first course in numerical methods therefore opens with root finding: constructive procedures that produce a sequence of approximations x0,x1,x2,dotsx_0, x_1, x_2, \\dotsx0​,x1​,x2​,dots together with a theorem saying that the sequence converges to a root and how fast.

This mission is the first in a series formalizing the lecture notes Métodos Numéricos by Sergio Roberto de Freitas (Departamento de Computação e Estatística, UFMS, 2000). It covers Chapter 3, Zeros de Funções, whose capstone is the local convergence of Newton's method.

Setting

Let f:mathbbRtomathbbRf : \\mathbb{R} \\to \\mathbb{R}f:mathbbRtomathbbR and let barx\\bar{x}barx be a zero of fff, i.e. f(barx)=0f(\\bar{x}) = 0f(barx)=0. The chapter studies three constructions.

Bisection. Starting from an interval (a0,b0)(a_0, b_0)(a0​,b0​) with f(a0)<0<f(b0)f(a_0) < 0 < f(b_0)f(a0​)<0<f(b0​), put xk+1=(ak+bk)/2x_{k+1} = (a_k + b_k)/2xk+1​=(ak​+bk​)/2 and keep the half of (ak,bk)(a_k, b_k)(ak​,bk​) on whose endpoints fff still changes sign. The width of the bracketing interval is halved at every step.

Linear iteration (MIL). Rewrite f(x)=0f(x) = 0f(x)=0 as a fixed-point equation x=g(x)x = g(x)x=g(x) and iterate xn+1=g(xn)x_{n+1} = g(x_n)xn+1​=g(xn​) from an arbitrary x0x_0x0​.

Newton's method. Take the particular iteration function

g(x)=x−fracf(x)f′(x),qquadxn+1=xn−fracf(xn)f′(xn),g(x) = x - \\frac{f(x)}{f'(x)}, \\qquad x_{n+1} = x_n - \\frac{f(x_n)}{f'(x_n)},g(x)=x−fracf(x)f′(x),qquadxn+1​=xn​−fracf(xn​)f′(xn​),

obtained by truncating the Taylor expansion of fff at xnx_nxn​ after the linear term.

A sequence xntoalphax_n \\to \\alphaxn​toalpha has order of convergence ppp when ∣en+1∣/∣en∣p|e_{n+1}| / |e_n|^p∣en+1​∣/∣en​∣p tends to a finite constant, where en=xn−alphae_n = x_n - \\alphaen​=xn​−alpha; p=1p = 1p=1 is linear and p=2p = 2p=2 quadratic convergence.

Target

The goal theorem is the local convergence of Newton's method at a simple zero. If fff is twice differentiable on an open interval (a,b)(a, b)(a,b) containing barx\\bar{x}barx, its second derivative is continuous there, and f′f'f′ never vanishes on (a,b)(a, b)(a,b), then there is h>0h > 0h>0 such that

x0in[barx−h,barx+h]impliesxntobarx,x_0 \\in [\\bar{x} - h, \\bar{x} + h] \\implies x_n \\to \\bar{x},x0​in[barx−h,barx+h]impliesxn​tobarx,

where xnx_nxn​ is the Newton sequence started at x0x_0x0​. This is the formal content of the chapter's statement that Newton's method converges provided the initial guess is chosen close enough to the root.

The milestones are the supporting results of the chapter: the error bound and convergence of bisection, the convergence of the linear iterative method under a derivative bound ∣g′∣leL<1|g'| \\le L < 1∣g′∣leL<1, the a posteriori estimate ∣barx−xn∣lefracL1−L∣xn−xn−1∣|\\bar{x} - x_n| \\le \\frac{L}{1-L}|x_n - x_{n-1}|∣barx−xn​∣lefracL1−L∣xn​−xn−1​∣, and the quadratic order of Newton's method at a simple zero.

Significance

Bisection, fixed-point iteration and Newton's method are the three root finders every numerical-analysis course starts with, and the three convergence theorems above are what justifies using them. The a posteriori estimate is what turns the iteration into an algorithm with a stopping criterion: it bounds the distance to the root by a quantity the program can measure. The quadratic order statement explains the observed doubling of correct digits per step at a simple zero and its loss at a multiple zero.

On the formalization side, Mathlib already has a fixed-point theorem for contractions on complete spaces and the mean value theorem, but not the statements in the form used in numerical analysis: bisection with its explicit 2−n2^{-n}2−n bracket, the fracL1−L\\frac{L}{1-L}fracL1−L a posteriori bound, or Newton's local convergence and quadratic rate stated for the concrete iteration sequence. This mission asks for those.

Difficulty

The delicate point in all three theorems is that the iterates must be known to stay in the region where the hypotheses hold; the informal proofs assume this silently. For the linear iterative method the mission therefore states the invariance hypothesis explicitly (ggg maps the closed interval into itself). For Newton's method, no such hypothesis is given: the existence of a neighbourhood of barx\\bar{x}barx that the iteration preserves is part of what must be proved, and it comes from the continuity of g′g'g′ together with g′(barx)=0g'(\\bar{x}) = 0g′(barx)=0. The quadratic-order milestone also has to handle the degenerate possibility xn=barxx_n = \\bar{x}xn​=barx, which would put a zero in the denominator; it is excluded by hypothesis.

Formalization scope

Everything is over the real numbers. The iterations are given as explicit recursive sequences: the bisection construction returns the bracketing pair (an,bn)(a_n, b_n)(an​,bn​) and its midpoint, and there are separate sequences for the fixed-point and Newton iterations. Newton's method takes the derivative as a separate function argument f′f'f′, tied to fff by a hypothesis of the form "fff has derivative f′(x)f'(x)f′(x) at every xxx of the interval"; this avoids relying on any junk value of a derivative operator where fff fails to be differentiable. Division is total, so a step at a point where f′f'f′ vanishes would leave the iterate unchanged; the hypotheses exclude this inside the interval.

Two deliberate deviations from the source are worth flagging for the auditor. First, Proposição 3.5.1 assumes f′(x)neq0f'(x) \\neq 0f′(x)neq0 only for xneqbarxx \\neq \\bar{x}xneqbarx, but its proof divides by f′(barx)2f'(\\bar{x})^2f′(barx)2; the formal statement assumes f′neq0f' \\neq 0f′neq0 on the whole interval, so barx\\bar{x}barx is a simple zero. Second, the convergence statement for the linear iterative method adds the hypothesis that ggg maps the closed interval into itself, without which the iterates may leave the region where the derivative bound is assumed.

Selected references

  • S. R. Freitas, Métodos Numéricos, Departamento de Computação e Estatística, Centro de Ciências Exatas e Tecnologia, Universidade Federal de Mato Grosso do Sul, 2000. Chapter 3, Zeros de Funções, pp. 33–70. (Course notes supplied with this mission.)
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Analysis·Captain: Lucas

Métodos Numéricos (Freitas) V: Interpolação Polinomial e o Erro da Fórmula de LagrangeTextbook

Motivation

A table of values is all one has of many functions: measurements, tabulated physical constants, the output of an expensive simulation. Interpolation reconstructs a function between tabulated points by passing a polynomial through them, and it underlies much of the rest of numerical analysis — quadrature rules, finite-difference formulas and predictor-corrector schemes for differential equations are all obtained by integrating or differentiating an interpolating polynomial. What makes the reconstruction trustworthy is a formula for the error committed away from the nodes.

This mission is the fifth in a series formalizing the lecture notes Métodos Numéricos by Sergio Roberto de Freitas (UFMS, 2000). It covers Chapter 7, Interpolação.

Setting

Let x0<x1<dots<xnx_0 < x_1 < \\dots < x_nx0​<x1​<dots<xn​ be distinct nodes and fi=f(xi)f_i = f(x_i)fi​=f(xi​) the tabulated values of a function fff. The Lagrange form of the interpolating polynomial is

Pn(t)=sumi=0nfiLi(t),qquadLi(t)=prodjneqifract−xjxi−xj,P_n(t) = \\sum_{i=0}^{n} f_i L_i(t), \\qquad L_i(t) = \\prod_{j \\neq i}\\frac{t - x_j}{x_i - x_j},Pn​(t)=sumi=0n​fi​Li​(t),qquadLi​(t)=prodjneqi​fract−xj​xi​−xj​,

so that Pn(xi)=fiP_n(x_i) = f_iPn​(xi​)=fi​ for every iii, and PnP_nPn​ is the unique polynomial of degree at most nnn with this property.

The interpolation error at a point xxx that is not a node is the difference f(x)−Pn(x)f(x) - P_n(x)f(x)−Pn​(x).

Target

The goal theorem is Proposição 7.3.1: if fff is n+1n+1n+1 times differentiable on (a,b)(a,b)(a,b) and all nodes lie in (a,b)(a,b)(a,b), then for every xin(a,b)x \\in (a,b)xin(a,b) different from all nodes there exists xiin(a,b)\\xi \\in (a,b)xiin(a,b) with

f(x)=Pn(x)+left(prodk=0n(x−xk)right)fracf(n+1)(xi)(n+1)!.f(x) = P_n(x) + \\left(\\prod_{k=0}^{n}(x - x_k)\\right)\\frac{f^{(n+1)}(\\xi)}{(n+1)!}.f(x)=Pn​(x)+left(prodk=0n​(x−xk​)right)fracf(n+1)(xi)(n+1)!.

The milestones are the other results of the chapter needed to make sense of it: the existence and uniqueness of the interpolating polynomial of degree at most nnn through n+1n+1n+1 points with distinct abscissas (Proposição 7.2.1), the fact that the Lagrange formula does interpolate the data, and the practical error bound of Proposição 7.3.2, ∣f(x)−Pn(x)∣lefracM(n+1)!prodk∣x−xk∣|f(x) - P_n(x)| \\le \\frac{M}{(n+1)!}\\prod_k |x - x_k|∣f(x)−Pn​(x)∣lefracM(n+1)!prodk​∣x−xk​∣ when ∣f(n+1)∣leM|f^{(n+1)}| \\le M∣f(n+1)∣leM.

Significance

The error formula is the reason interpolation is a numerical method and not just a curve-drawing device: it shows that the error is governed by two independent factors, the smoothness of fff through f(n+1)f^{(n+1)}f(n+1) and the geometry of the nodes through the product prodk(x−xk)\\prod_k(x - x_k)prodk​(x−xk​). Everything downstream follows from it — the h2h^2h2 and h4h^4h4 error terms of the trapezoidal and Simpson rules in the next mission are obtained by integrating exactly this expression, and the choice of Chebyshev nodes is the attempt to make the product factor small.

Difficulty

The standard proof introduces the auxiliary function F(t)=f(t)−Pn(t)−Kprodk(t−xk)F(t) = f(t) - P_n(t) - K\\prod_k(t - x_k)F(t)=f(t)−Pn​(t)−Kprodk​(t−xk​) with KKK chosen so that F(x)=0F(x) = 0F(x)=0, and then applies Rolle's theorem n+1n+1n+1 times to conclude that F(n+1)F^{(n+1)}F(n+1) vanishes somewhere. Formalizing the repeated application of Rolle's theorem, keeping track of the n+2n+2n+2 distinct zeros and the nested intervals they generate, is the substance of the work; it is an induction that has to be organized carefully rather than a computation.

Formalization scope

The nodes are given as a strictly increasing family x0<dots<xnx_0 < \\dots < x_nx0​<dots<xn​ of n+1n+1n+1 reals lying in the open interval (a,b)(a,b)(a,b), and the interpolating polynomial is the explicit Lagrange sum rather than an abstract polynomial: at a node it is defined by the same formula, whose factors then include 0/00/00/0 contributions unless the nodes are distinct, which is why the distinctness hypothesis appears in the interpolation milestone. Smoothness is expressed as continuous differentiability of order n+1n+1n+1 on the open interval (a,b)(a,b)(a,b), and the derivative appearing in the error term is the iterated derivative computed within that set; since the set is open this agrees with the ordinary (n+1)(n+1)(n+1)-st derivative. The evaluation point xxx is assumed to lie in (a,b)(a,b)(a,b) and to differ from every node; the point xi\\xixi is asserted to exist in (a,b)(a,b)(a,b), with no claim of uniqueness or of any relation to xxx beyond membership in the interval. The uniqueness milestone is stated with Mathlib's polynomial type and the degree bound deglen\\deg \\le ndeglen, which includes the zero polynomial.

Selected references

  • S. R. Freitas, Métodos Numéricos, Departamento de Computação e Estatística, Universidade Federal de Mato Grosso do Sul, 2000. Chapter 7, Interpolação, pp. 133–161. (Course notes supplied with this mission.)
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